# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-25T16:06:34+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 8 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
"1000493","10.492","0.005","10.492","0.005","10.492","0.005","90","","90","","90","","1155","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium diniobium pentaoxide fluoride","","- F Nb2 O5 Rb -","- F1.0002 Nb2 O4.9998 Rb -","- F8.0016 Nb16 O39.9984 Rb8 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M","Materials Research Bulletin","1973","8","","393","404","10.1016/0025-5408(73)90043-3","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000494","10.506","0.005","10.506","0.005","10.506","0.005","90","","90","","90","","1159.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium diniobium pentaoxide fluoride","","- F Nb2 O5 Tl -","- F1.0002 Nb2 O4.9998 Tl -","- F8.0016 Nb16 O39.9984 Tl8 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans les groupe d'espace FD3M","Materials Research Bulletin","1973","8","","393","404","10.1016/0025-5408(73)90043-3","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000495","10.525","0.005","10.525","0.005","10.525","0.005","90","","90","","90","","1165.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Caesium diniobium pentaoxide fluoride","","- Cs F Nb2 O5 -","- Cs F1.0002 Nb2 O4.9998 -","- Cs8 F8.0016 Nb16 O39.9984 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M","Materials Research Bulletin","1973","8","","393","404","10.1016/0025-5408(73)90043-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000499","10.277","0.005","10.277","0.005","10.277","0.005","90","","90","","90","","1085.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium cobalt hexafluorochromate(III)","","- Co Cr F6 Rb -","- Co Cr F6 Rb -","- Co8 Cr8 F48 Rb8 -","8","0.0416667","","Fourquet, J L; Jacoboni, C; de Pape, R","Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M","Materials Research Bulletin","1973","8","","393","404","10.1016/0025-5408(73)90043-3","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001057","10.5","","10.5","","10.5","","90","","90","","90","","1157.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium tantalum tungsten oxide (1.8/1.8/0.3/6)","","- O6 Ta1.75 Tl1.75 W0.25 -","- O6 Ta1.75 Tl1.7501 W0.25 -","- O48 Ta14 Tl14.0008 W2 -","8","0.0416667","","Michel, C; Raveau, B","Etude de la distribution des Ions thallium dans les pyrochlores non stoechiometriques Tl~1+x~ (Ta~1+x~ W~1-x~) O~6~","Materials Research Bulletin","1973","8","","451","458","10.1016/0025-5408(73)90049-4","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001058","10.234","0.003","10.234","0.003","10.234","0.003","90","","90","","90","","1071.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium antimony(V) tungsten oxide","","- K O6 Sb W -","- K O6 Sb W -","- K8 O48 Sb8 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Sur de nouveaux pyrochlores A Sb W O~6~ (A = K, Rb, Cs, Tl)","Materials Research Bulletin","1973","8","","201","210","10.1016/0025-5408(73)90173-6","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001059","10.245","0.003","10.245","0.003","10.245","0.003","90","","90","","90","","1075.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rubidium antimony(V) tungsten oxide","","- O6 Rb Sb W -","- O6 Rb Sb W -","- O48 Rb8 Sb8 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Sur de nouveaux pyrochlores A Sb W O~6~ (A = K, Rb, Cs, Tl)","Materials Research Bulletin","1973","8","","201","210","10.1016/0025-5408(73)90173-6","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001060","10.279","0.003","10.279","0.003","10.279","0.003","90","","90","","90","","1086.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Caesium antimony(V) tungsten oxide","","- Cs O6 Sb W -","- Cs O6 Sb W -","- Cs8 O48 Sb8 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Sur de nouveaux pyrochlores A Sb W O~6~ (A = K, Rb, Cs, Tl)","Materials Research Bulletin","1973","8","","201","210","10.1016/0025-5408(73)90173-6","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001061","10.244","0.003","10.244","0.003","10.244","0.003","90","","90","","90","","1075","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Thallium antimony(V) tungsten oxide","","- O6 Sb Tl W -","- O6 Sb Tl W -","- O48 Sb8 Tl8 W8 -","8","0.0416667","","Michel, C; Groult, D; Raveau, B","Sur de nouveaux pyrochlores A Sb W O~6~ (A = K, Rb, Cs, Tl)","Materials Research Bulletin","1973","8","","201","210","10.1016/0025-5408(73)90173-6","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001065","6.667","","6.667","","9.703","0.005","90","","90","","120","","373.5","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Barium silicate germanate *","","- Ba Ge2.5 O9 Si1.5 -","- Ba Ge2.5 O9 Si1.5 -","- Ba2 Ge5 O18 Si3 -","2","0.166667","","Goreaud, M; Choisnet, J; Deschanvres, A; Raveau, B","Synthese et Evolution Structurale de Nouveaux Silicogermanates Ba Ge (Ge~3-x~ Si~x~) O~9~ de Type Benitoite et de Structure Apparentee","Materials Research Bulletin","1973","8","","1205","1214","10.1016/0025-5408(73)90158-X","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001066","11.595","0.005","11.595","0.005","9.755","0.005","90","","90","","120","","1135.8","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Barium silicate germanate *","","- Ba Ge3.125 O9 Si0.875 -","- Ba Ge3.1249 O9 Si0.8751 -","- Ba6 Ge18.7494 O54 Si5.2506 -","6","1","","Goreaud, M; Choisnet, J; Deschanvres, A; Raveau, B","Synthese et Evolution Structurale de Nouveaux Silicogermanates Ba Ge (Ge~3-x~ Si~x~) O~9~ de Type Benitoite et de Structure Apparentee","Materials Research Bulletin","1973","8","","1205","1214","10.1016/0025-5408(73)90158-X","","","","","","0.119","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001151","4.667","","4.667","","9.129","","90","","90","","90","","198.8","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Ditantalum vanadium(II) oxide","","- O6 Ta2 V -","- O6 Ta2 V -","- O12 Ta4 V2 -","2","0.125","","Bernigaud, G; Bernier, J C; Michel, A","Evolution de l'ordre cristallographique dans les systemes Ta~2~ V O~6~ - V O~2~ et W V~2~ O~6~ - V O~2~","Revue Internationale des Hautes Temperatures et des Refractaires","1971","8","","261","268","","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001223","10.54","","10.54","","10.54","","90","","90","","90","","1170.9","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Lead titanium tantalum oxide (1.2/0.4/1.6/6)","","- O6 Pb1.2 Ta1.6 Ti0.4 -","- O6 Pb1.2 Ta1.6 Ti0.4 -","- O48 Pb9.6 Ta12.8 Ti3.2 -","8","0.0416667","","Desgardin, G; Hervieu, M; Raveau, B","Contribution a l'etude structurale du compose Pb~2-x~ (Ti,Ta)~2~ O~7-x~ de type pyrochlore","Revue de Chimie Minerale","1971","8","","139","143","","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001257","12.425","0.008","7.511","0.005","5.653","0.005","90","","90","","107.8","0.2","502.3","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Dysprosium hexaoxorhenate(IV) hexaoxorhenate(V)","","- Dy5 O12 Re2 -","- Dy5 O12 Re2 -","- Dy10 O24 Re4 -","2","0.5","","Baud, G; Besse, J P; Chevalier, R; Gasperin, M","Synthese et etude structurale de l'oxyde double Dy~5~ Re~2~ O~12~","Materials Chemistry and Physics","1983","8","","93","99","10.1016/0254-0584(83)90042-1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001719","4.95","","25.18999","","11.66","","90","","97.76","","90","","1440.6","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Thallium strontium cobalt oxide (0.41/1/1/3.11)","","- Co O3.111 Sr0.9999 Tl0.41 -","- Co O3.11111 Sr Tl0.41 -","- Co18 O56 Sr18 Tl7.38 -","18","4.5","","Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B","Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2","Chemistry of Materials (1,1989-","1996","8","","1482","1489","10.1021/cm9601446","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001725","3.778","0.001","15.244","0.001","17.67699","0.001","90","","90","","90","","1018.1","","","","","","","","","","","","","5","A m m 2","A 2 -2","38","","Thallium chromate strontium coppper oxide (3/1/8/4/16)","","- Cr Cu4 O20 Sr8 Tl3 -","- Cr Cu4 O20 Sr8 Tl3 -","- Cr2 Cu8 O40 Sr16 Tl6 -","2","0.25","","Martin, C; Letouze, F; Maignan, A; Seshadri, R; Michel, C; Hervieu, M; Raveau, B","The superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 : long- range ordering between thallium and chromium","Chemistry of Materials (1,1989-","1996","8","","865","873","10.1021/cm950473i","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004032","8.735","0.011","8.864","0.005","12.636","0.01","98.36","0.05","100.18","0.08","115.84","0.07","838.9","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H43 F6 Ga5 N4 O22 P4 -","- C12 H43 F6 Ga5 N4 O22 P4 -","- C12 H43 F6 Ga5 N4 O22 P4 -","1","0.5","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Hydrothermal synthesis and characterization of the new layered fluorogallophosphate Mu-23","Chemistry - A European Journal","2002","8","7","1614","1620","10.1002/1521-3765(20020402)8:7<1614::AID-CHEM1614>3.0.CO;2-T","","","0.71073","MoKα","","0.0304","0.0255","","0.0652","0.0641","","","","0.957","1.05","1.05","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1007062","6.77","0.003","6.77","0.003","6.079","0.003","90","","90","","120","","241.3","","","","","","","","","","","","","4","P -6","P -6","174","","Cerium cyclo-triphosphate trihydrate","","- Ce H6 O12 P3 -","- Ce H6 O12 P3 -","- Ce H6 O12 P3 -","1","0.166667","","Bagieu-Beucher, M; Tordjman, I; Durif, A","Structure cristalline du trimetaphosphate de cerium(III) trihydrate: Ce P~3~ O~9~ (H~2~ O)~3~","Revue de Chimie Minerale","1971","8","","753","760","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008036","4.6964","0.0009","5.8287","0.001","4.8736","0.0007","91.63","0.01","92.44","0.01","82.79","0.01","132.2","","","","","","","","","","","","","3","P -1","-P 1","2","","COPPER TUNGSTATE","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Klein, S; Weitzel, H","Pernod - ein Programm zur Verfeinerung von Kristall-Strukturparametern aus Neutronenbeugungspulverdiagrammen","Journal of Applied Crystallography","1975","8","","54","59","10.1107/S0021889875009521","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008056","5.834","","5.834","","3.351","","90","","90","","120","","98.8","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Nickel cobalt phosphide (1/1/1)","","- Co Ni P -","- Co Ni P -","- Co3 Ni3 P3 -","3","0.25","","Senateur, J P; Rouault, A; L'Heritier, P; Krumbuegel-Nyland, A; Fruchart, R; Fruchart, D; Convert, P; Roudaut, E","La selectivite des substitutions dans les phases MM'P etude de l'ordre par diffraction neutronique dans Ni Co P","Materials Research Bulletin","1973","8","","229","238","10.1016/0025-5408(73)90176-1","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008058","6.2821","0.0007","3.6491","0.0004","10.844","0.001","90","","92.24","0.01","90","","248.4","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Nickel dirhodium(III) selenide","","- Ni Rh2 Se4 -","- Ni Rh2 Se4 -","- Ni2 Rh4 Se8 -","2","0.25","","Bouchard, R J","The crystal structure and transport properties of Ni Rh~2~ Se~4~","Inorganic Chemistry","1969","8","","850","856","10.1021/ic50074a030","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008110","3.896","","3.896","","3.896","","90","","90","","90","","59.1","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gallium manganese carbide (1/3/1)","","- C Ga Mn3 -","- C Ga Mn3 -","- C Ga Mn3 -","1","0.0208333","","Fruchart, D; Bertaut, E F; Sayetat, F; Nasr Eddine, M; Fruchart, R; Senateur, J P","Structure Magnetique de Mn~3~ Ga C","Solid State Communications","1970","8","","91","99","10.1016/0038-1098(70)90579-X","","","","","","","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008723","3.8732","0.00002","3.8732","0.00002","9.48088","0.00008","90","","90","","90","","142.2","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Mercury barium copper oxide (1/2/1/4.12)","","- Ba2 Cu Hg O4.12 -","- Ba2 Cu Hg O4.12 -","- Ba2 Cu Hg O4.12 -","1","0.0625","","Marezio, M; Alexandre, E T; Bordet, P; Capponi, J - J; Chaillout, C; Kopnin, E M; Loureiro, S M; Radaelli, P G; Van Tendeloo, G","Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d","Journal of Superconductivity","1995","8","4","507","510","10.1007/BF00722842","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008860","9.782","0.001","9.782","0.001","6.298","0.002","90","","90","","120","","521.9","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Dipotassium dithionate(V)","","- K2 O6 S2 -","- K2 O6 S2 -","- K6 O18 S6 -","3","0.5","","de Matos Gomes, E; Ortega, J; Extebarria, J; Zuniga, F J; Breczewski, T","The crystal structure and optical activity of potassium dithionate, K2 S2 O6","Journal of Physics: Condensed Matter","1996","8","","2063","2071","10.1088/0953-8984/8/12/018","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008901","15.9634","0.0005","7.8502","0.0002","10.8664","0.0003","90","","97.931","0.002","90","","1348.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tricerium bis(tetrathiosilicate) iodide","","- Ce3 I S8 Si2 -","- Ce3 I S8 Si2 -","- Ce12 I4 S32 Si8 -","4","0.5","","Gauthier, G; Kawasaki, S; Jobic, S; Macaudiere, P; Brec, R; Rouxel, J","Characterization of Ce3 (Si S4)2 I, a compound with a new structure type","Journal of Materials Chemistry","1998","8","1","179","186","10.1039/a704702i","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010147","10.15","","12.07","","4.31","","90","","90","","90","","528","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Arsenic bromide","","- As Br3 -","- As Br3 -","- As4 Br12 -","4","1","","Braekken, H","Die Kristallstruktur von Arsen- und Antimontribromid","Kongelige Norske Videnskapers Selskab, Forhandlinger","1935","8","","3","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010438","2.696","","2.696","","4.394","","90","","90","","120","","27.7","","","","","","","","","","","","","2","","","","","Beryllium oxide","","- Be O -","","","2","","","McKeehan, L W","The Crystal Structure of Beryllium and of Beryllium Oxide","Proceedings of the National Academy of Sciences, U.S.A.","1922","8","","270","274","10.1073/pnas.8.9.270","","","","","","","","","","","","","","","","","","","","","","201954","2020-10-21","18:00:00",""
"1010522","5.59","0.02","8.93","0.02","6.98","0.02","90","","90","","90","","348.4","","","","","","","","","","","","","3","P b n n","-P 2n 2b","52","","Sodium sulfate - III","","- Na2 O4 S -","- Na2 O4 S -","- Na8 O16 S4 -","4","0.5","","Frevel, L K","The Crystal Structure of Sodium Sulfate III","Journal of Chemical Physics","1940","8","","290","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:08",""
"1010526","2.694","","2.694","","4.393","","90","","90","","120","","27.6","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Beryllium oxide","","- Be O -","- Be O -","- Be2 O2 -","2","0.166667","","Zachariasen, W H","Ueber die Kristallstruktur von Be O","Norsk Geologisk Tidsskrift","1925","8","","189","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010535","6.07","","6.07","","6.07","","90","","90","","90","","223.6","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Zinc telluride","","- Te Zn -","- Te Zn -","- Te4 Zn4 -","4","0.0208333","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010536","6.41","","6.41","","6.41","","90","","90","","90","","263.4","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Cadmium telluride","","- Cd Te -","- Cd Te -","- Cd4 Te4 -","4","0.0208333","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010537","6.36","","6.36","","6.36","","90","","90","","90","","257.3","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Mercury telluride","","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0208333","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010538","6.07","","6.07","","6.07","","90","","90","","90","","223.6","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Zinc telluride","","- Te Zn -","- Te Zn -","- Te4 Zn4 -","4","0.0416667","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010539","6.41","","6.41","","6.41","","90","","90","","90","","263.4","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Cadmium telluride","","- Cd Te -","- Cd Te -","- Cd4 Te4 -","4","0.0416667","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010787","","","","","","","","","","","","","","","","","","","","","","","","","","3","","","","","Trichlorosilane","","- Cl3 H Si -","","","","","","Wouters, J","Proefondervindelijk onerzoek der moleculestructur von silicochloroform en siliciumbromotrichloride","Wis-en Natuurkundig Tijdschrift","1937","8","","231","250","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010949","6.36","","6.36","","6.36","","90","","90","","90","","257.3","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Mercury telluride","Coloradoite","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0416667","","Zachariasen, W H","Die Kristallstruktur der Telluride von Zink,Cadmium und Quecksilber","Norsk Geologisk Tidsskrift","1926","8","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011018","18.15999","","8.84","","5.19","","90","","90","","90","","833.2","","","","","","","","","","","","from Chichi-jima, Bonin Islands","4","P b c a","-P 2ac 2ab","61","","Magnesium iron silicate *","Enstatite ferroan","- Fe0.155 Mg0.845 O3 Si -","- Fe0.155 Mg0.845 O3 Si -","- Fe2.48 Mg13.52 O48 Si16 -","16","2","","Takané, Katsutashi","Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands","Proceedings of the Imperial Academy (Tokyo)","1932","8","7","308","311","10.2183/pjab1912.8.308","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011064","3.906","0.02","3.906","","3.906","","90","","90","","90","","59.6","","","","","","","","","","","","synthetic in molten Na2CO3","3","P m -3 m","-P 4 2 3","221","","Sodium niobate","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na Nb O3 -","1","0.0208333","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011210","5.302","","5.366","","3.777","","90","","90","","90","","107.5","","","","","","","","","","","","from Zermatt, Swiss Alps","3","C m m m","-C 2 2","65","","Calcium titanate","Perovskite","- Ca O3 Ti -","- Ca O3 Ti -","- Ca2 O6 Ti2 -","2","0.125","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011211","3.795","","3.795","","3.795","","90","","90","","90","","54.7","","","","","","","","","","","","from Zermatt, Swiss Alps","3","P m -3 m","-P 4 2 3","221","","Calcium titanate","Perovskite","- Ca O3 Ti -","- Ca O3 Ti -","- Ca O3 Ti -","1","0.0208333","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011212","3.825","","3.825","","3.825","","90","","90","","90","","56","","","","","","","","","","","","from Magnet Cove, Arkansas","5","P m -3 m","-P 4 2 3","221","","Calcium sodium titanium niobium oxide *","Perovskite niobian","- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -","- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -","- Ca0.7 Na0.3 Nb0.3 O3 Ti0.7 -","1","0.0208333","","Barth, T","Die Kristallstruktur von Perowskit und verwandter Verbindungen","Norsk Geologisk Tidsskrift","1925","8","","201","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011231","8.17","","8.17","","8.17","","90","","90","","90","","545.3","","","","","","","","","","","","Skutterud, Norway","2","I m -3","-I 2 2 3","204","","Cobalt arsenide (1/3)","Skutterudite","- As3 Co -","- As3 Co -","- As24 Co8 -","8","0.166667","","Oftedal, I","The crystal structure of skutterudite and related minerals","Norsk Geologisk Tidsskrift","1926","8","","250","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1100036","4.238","","4.238","","4.238","","90","","90","","90","","76.1","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Titanium(III) nitride","Osbornite","- N Ti -","- N Ti -","- N4 Ti4 -","4","0.0208333","","Schoenberg, N","","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","213","220","10.3891/acta.chem.scand.08-0213","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:30:25",""
"1101057","10.046","0.002","13.354","0.003","13.128","0.003","90","","112.08","0.03","90","","1631.9","0.6","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N8 O4 Pt -","- C10 H12 Cl2 N8 O4 Pt -","- C40 H48 Cl8 N32 O16 Pt4 -","4","1","","Salas, Juan M.; Quirós, Miguel; Abul Haj, Mohammad; Magán, Rosa; Marín, Clotilde; Sáchez-Moreno, Manuel; Faure, René","Activity of Pt(II) and Ru(III) Triazolopyrimidine Complexes Against Parasites of the Genus Leishmania, Trypanosomas and Phytomonas","Metal-Based Drugs","2001","8","3","119","124","10.1155/MBD.2001.119","","","","","","","","","","","","","","","","","","","","","has coordinates","199777","2020-10-21","18:00:00",""
"1501794","10.3089","0.0003","14.8531","0.0004","15.1994","0.0005","90","","100.612","0.002","90","","2287.51","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O10 -","- C24 H24 N4 O10 -","- C96 H96 N16 O40 -","4","1","","Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas","Cocrystals of quercetin with improved solubility and oral bioavailability.","Molecular pharmaceutics","2011","8","5","1867","1876","10.1021/mp200209j","","","1.54178","CuKα","","0.062","0.0434","","","0.109","0.1225","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1501795","4.978","0.001","12.636","0.003","15.571","0.003","110.53","0.03","97.63","0.03","99.39","0.03","885.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O8 -","- C21 H16 N2 O8 -","- C42 H32 N4 O16 -","2","1","","Smith, Adam J.; Kavuru, Padmini; Wojtas, Lukasz; Zaworotko, Michael J.; Shytle, R. Douglas","Cocrystals of quercetin with improved solubility and oral bioavailability.","Molecular pharmaceutics","2011","8","5","1867","1876","10.1021/mp200209j","","","0.71073","MoKα","","0.089","0.0592","","","0.1267","0.1418","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1504442","11.6721","0.0002","19.915","0.0005","21.9484","0.0004","90","","102.584","0.001","90","","4979.34","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 N4 O4 -","- C56 H70 N4 O4 -","- C224 H280 N16 O16 -","4","1","","Nikiforov, Maxim P.; Zerweck, Ulrich; Milde, Peter; Loppacher, Christian; Park, Tae-Hong; Uyeda, H. Tetsuo; Therien, Michael J.; Eng, Lukas; Bonnell, Dawn","The effect of molecular orientation on the potential of porphyrin-metal contacts.","Nano letters","2008","8","1","110","113","10.1021/nl072175d","","","0.71069","MoKα","","0.0852","0.0738","","0.176","0.1681","","","","1.123","1.15","1.15","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505676","4.945","0.001","10.887","0.002","18.475","0.004","90","","96.32","0.03","90","","988.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0885","0.0641","","","0.1878","0.1983","","","","","","1.178","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505677","5.888","0.0012","10.699","0.003","17.013","0.002","90","","90","","90","","1071.7","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0461","0.0363","","","0.0844","0.0874","","","","","","1.139","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505678","11.654","0.005","5.471","0.002","26.609","0.01","90","","102.416","0.006","90","","1656.9","1.1","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C84 H64 F4 N12 O8 -","4","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0695","0.0505","","","0.1191","0.1279","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505679","9.705","0.001","5.644","0.0006","15.603","0.0016","90","","98.293","0.002","90","","845.72","0.15","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C42 H32 F2 N6 O4 -","2","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0285","0.0284","","","0.0723","0.0723","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505809","7.981","0.001","22.703","0.004","11.227","0.002","90","","92.995","0.003","90","","2031.5","0.6","163.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 I N O5 -","- C19 H24 I N O5 -","- C76 H96 I4 N4 O20 -","4","1","","Grundl, Marc A.; Trauner, Dirk","Synthetic studies toward the haouamines.","Organic letters","2006","8","1","23","25","10.1021/ol052262h","","","0.7107","MoKα","","0.0637","0.0338","","0.0421","","0.0369","","","","","","1.312","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505810","32.3106","0.0008","12.0276","0.0003","12.5523","0.0003","90","","90","","90","","4878.1","0.2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H26 O2 P2 -","- C31 H26 O2 P2 -","- C248 H208 O16 P16 -","8","0.5","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0305","0.0296","","","0.0722","0.0727","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505811","9.015","0.006","9.235","0.006","32.8","0.02","90","","90","","90","","2731","3","100","2","373","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 B2 P2 -","- C31 H36 B2 P2 -","- C124 H144 B8 P8 -","4","1","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0629","0.0484","","","0.1002","0.1041","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505812","12.41","0.0012","12.8373","0.0012","25.498","0.002","90","","92.49","0.002","90","","4058.3","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Cl12 N2 O16 -","- C76 H86 Cl12 N2 O16 -","- C152 H172 Cl24 N4 O32 -","2","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.1314","0.0873","","","0.2583","0.307","","","","","","1.031","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505813","15.303","0.002","16.558","0.002","19.187","0.003","90","","97.376","0.002","90","","4821.5","1.1","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C85.5 H102.5 Cl F12 N2.5 O17 P2 -","- C85.5 H102.5 Cl F12 N2.5 O17 P2 -","- C171 H205 Cl2 F24 N5 O34 P4 -","2","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.1912","0.0996","","","0.2858","0.3641","","","","","","1.106","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505814","13.944","0.003","14.295","0.004","15.3","0.004","82.786","0.005","66.607","0.004","63.871","0.004","2508.5","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C95 H120 Cl2 F12 N2 O16 P2 -","- C95 H120 Cl2 F12 N2 O16 P2 -","- C95 H120 Cl2 F12 N2 O16 P2 -","1","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.2023","0.1113","","","0.325","0.3954","","","","","","1.198","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505815","7.3574","0.0015","15.976","0.003","16.707","0.003","90","","90","","90","","1963.8","0.6","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B Fe N O P -","- C20 H25 B Fe N O P -","- C80 H100 B4 Fe4 N4 O4 P4 -","4","1","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0672","0.0351","","","0.0469","0.0517","","","","","","0.76","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505816","11.2546","0.0012","7.2839","0.0008","23.607","0.003","90","","102.734","0.002","90","","1887.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Fe N O2 P -","- C21 H24 Fe N O2 P -","- C84 H96 Fe4 N4 O8 P4 -","4","2","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0484","0.0421","","","0.0892","0.0911","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505817","19.286","0.002","8.198","0.002","12.114","0.002","90","","98.967","0.01","90","","1891.9","0.6","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 N2 O5 S -","- C18 H24 N2 O5 S -","- C72 H96 N8 O20 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0484","","","","0.0609","","","","","","1.706","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505818","26.507","0.007","18.459","0.003","12.035","0.002","90","","106.22","0.02","90","","5654","2","298.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N2 O7 S -","- C24 H29 N2 O7 S -","- C192 H232 N16 O56 S8 -","8","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0751","","","","0.1294","","","","","","1.97","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505819","11.972","0.002","12.187","0.003","17.556","0.003","90","","90","","90","","2561.5","0.9","298.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H32 N2 O7 S -","- C25 H32 N2 O7 S -","- C100 H128 N8 O28 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0407","","","","0.0514","","","","","","1.377","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505820","8.0158","0.0016","6.5155","0.0013","26.09","0.005","90","","90.072","0.003","90","","1362.6","0.5","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Munegumi, Takeshi; Azumaya, Isao; Kato, Takako; Masu, Hyuma; Saito, Shinichi","[3+2] cross-coupling reactions of aziridines with isocyanates catalyzed by nickel(II) iodide.","Organic letters","2006","8","3","379","382","10.1021/ol052417l","","","0.71073","MoKα","","0.0876","0.0394","","","0.0825","0.0895","","","","","","0.712","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505821","14.16","0.01","9.62","0.01","22.15","0.01","90","","92","0.05","90","","3015","4","293.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 F12 N6 O8 S4 -","- C17 H18 F12 N6 O8 S4 -","- C68 H72 F48 N24 O32 S16 -","4","0.5","","Patil, Mahesh L.; Rao, C. V. Laxman; Yonezawa, Kohji; Takizawa, Shinobu; Onitsuka, Kiyotaka; Sasai, Hiroaki","Design and synthesis of novel chiral spiro ionic liquids.","Organic letters","2006","8","2","227","230","10.1021/ol052466y","","","0.7107","MoKα","","","0.0652","","","","0.1796","","","","","","2.037","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505822","11.681","0.005","19.082","0.009","6.506","0.002","90","","90","","90","","1450.2","1","253","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O S2 -","- C15 H24 O S2 -","- C60 H96 O4 S8 -","4","1","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","1.54178","CuKα","","0.052","0.0516","","","0.1351","0.1355","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505823","11.504","0.0009","13.877","0.0012","19.44","0.002","90","","111.041","0.004","90","","2896.5","0.5","153","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 S2 -","- C15 H24 O2 S2 -","- C120 H192 O16 S16 -","8","2","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","0.71073","MoKα","","0.1755","0.0968","","","0.2123","0.241","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505824","26.119","0.003","11.3717","0.0013","25.521","0.003","90","","100.205","0.002","90","","7460.3","1.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound6","chloro(2,6-dichloropyrimidin-4-yl)bis(triphenylphosphoranyl)palladium","","- C40 H31 Cl3 N2 P2 Pd -","- C40 H31 Cl3 N2 P2 Pd -","- C320 H248 Cl24 N16 P16 Pd8 -","8","2","","Peng, Zhi-Hui; Journet, Michel; Humphrey, Guy","A highly regioselective amination of 6-aryl-2,4-dichloropyrimidine.","Organic letters","2006","8","3","395","398","10.1021/ol052578p","","","0.71073","MoKα","","0.1119","0.0552","","","0.1054","0.1252","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505825","7.9843","0.0001","13.9102","0.0002","15.4291","0.0002","90","","91.059","0.001","90","","1713.31","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","cyclopentylphosphorinane","","","- C14 H28 B F4 P -","- C14 H28 B F4 P -","- C56 H112 B4 F16 P4 -","4","2","","Brenstrum, Tim; Clattenburg, Julie; Britten, James; Zavorine, Serguei; Dyck, Jeff; Robertson, Alan J.; McNulty, James; Capretta, Alfredo","Phosphorinanes as ligands for palladium-catalyzed cross-coupling chemistry.","Organic letters","2006","8","1","103","105","10.1021/ol052579h","","","1.54178","CuKα","","0.0591","0.0571","","","0.1632","0.1679","","","","","","1.023","","","","has coordinates,has disorder","301775","2025-08-18","14:03:02",""
"1505826","13.991","0.003","13.811","0.003","32.54","0.007","90","","102.17","0.03","90","","6146","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C87 H54 O12 -","- C87 H54 O12 -","- C348 H216 O48 -","4","1","","Huang, Shaohua; Wang, Fudong; Gan, Liangbing; Yuan, Gu; Zhou, Jiang; Zhang, Shiwei","Preparation of fullerendione through oxidation of vicinal fullerendiol and intramolecular coupling of the dione to form hemiketal/ketal moieties.","Organic letters","2006","8","2","277","279","10.1021/ol052602z","","","0.71073","MoKα","","0.1562","0.0719","","","0.172","0.1975","","","","","","1.011","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1505827","10.73","0.01","12.94","0.02","16.36","0.02","90","","93.7","0.06","90","","2267","5","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Kusama, Hiroyuki; Miyashita, Yuichi; Takaya, Jun; Iwasawa, Nobuharu","Pt(II)- or Au(III)-catalyzed [3+2] cycloaddition of metal-containing azomethine ylides: highly efficient synthesis of the mitosene skeleton.","Organic letters","2006","8","2","289","292","10.1021/ol052610f","","","0.7107","MoKα","","","0.0564","","","","0.1899","","","","","","0.919","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505828","10.055","0.002","14.345","0.003","15.008","0.003","90","","102.79","0.03","90","","2111","0.8","106","2","106","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O5 S -","- C22 H30 O5 S -","- C88 H120 O20 S4 -","4","1","","Liu, Haibo; Siegel, Dionicio R.; Danishefsky, Samuel J.","Studies directed toward the synthesis of terreulactone A: rapid construction of the A, B, C rings.","Organic letters","2006","8","3","423","425","10.1021/ol052618p","","","0.71073","MoKα","","0.1066","0.0551","","","0.1068","0.1236","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505829","9.6531","0.001","10.8282","0.0011","18.872","0.002","90","","101.196","0.002","90","","1935.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","","Liu, Yanqin; Luo, Shengjun; Fu, Xingnian; Fang, Fang; Zhuang, Zeyang; Xiong, Wanting; Jia, Xueshun; Zhai, Hongbin","Facile construction of the pentacyclic framework of subincanadine B. Synthesis of 20-deethylenylated subincanadine B and 19,20-dihydrosubincanadine B.","Organic letters","2006","8","1","115","118","10.1021/ol0526367","","","0.71073","MoKα","","0.0828","0.0577","","","0.1459","0.159","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505830","8.5858","0.0006","11.5065","0.0008","11.7576","0.0008","72.062","0.001","82.806","0.001","72.604","0.001","1053.85","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 O2 S -","- C25 H24 O2 S -","- C50 H48 O4 S2 -","2","1","","Xie, Meihua; Wang, Jialiang; Gu, Xiaoxia; Sun, Ying; Wang, Shaowu","Highly regio- and stereoselective synthesis of tetrasubstituted olefins by the three-component tandem reaction of allylzinc bromide, acetylenic sulfone, and halohydrocarbon.","Organic letters","2006","8","3","431","434","10.1021/ol052640i","","","0.71073","MoKα","","0.0791","0.0744","","","0.1852","0.1898","","","","","","1.153","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505831","7.1616","0.0005","13.2625","0.0011","13.4547","0.0011","94.215","0.003","100.102","0.003","96.192","0.003","1245.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 F4 O2 -","- C30 H32 F4 O2 -","- C60 H64 F8 O4 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.0648","0.0483","","","0.125","0.1368","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505832","4.9461","0.0015","9.748","0.003","28.705","0.009","92.905","0.009","93.547","0.009","92.621","0.009","1377.9","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H40 F4 -","- C34 H40 F4 -","- C68 H80 F8 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.0792","0.0621","","","0.1483","0.1568","","","","","","1.103","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505833","7.547","0.003","11.965","0.006","14.843","0.007","79.33","0.012","82.968","0.012","79.947","0.012","1291.3","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 F4 O2 -","- C30 H32 F4 O2 -","- C60 H64 F8 O4 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.1363","0.0751","","","0.204","0.2491","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505834","7.9507","0.0013","16.883","0.003","22.692","0.004","107.104","0.005","99.04","0.005","102.78","0.005","2757.3","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H40 F4 -","- C34 H40 F4 -","- C136 H160 F16 -","4","2","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.1291","0.0534","","","0.1028","0.1275","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505835","13.282","0.0003","14.2815","0.0003","18.9888","0.0005","90","","102.049","0.001","90","","3522.57","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 F6 N2 O8 P -","- C31 H42 F6 N2 O8 P -","- C124 H168 F24 N8 O32 P4 -","4","1","","Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien","[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.","Organic letters","2006","8","3","435","438","10.1021/ol052679n","","","0.71073","MoKα","","0.1736","0.1282","","","0.3755","0.4177","","","","","","1.575","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505836","13.6759","0.0003","15.5595","0.0003","17.7584","0.0004","92","0.001","91.004","0.0012","110.722","0.0011","3530.4","0.13","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 F12 N2 O7 P2 -","- C67 H88 F12 N2 O7 P2 -","- C134 H176 F24 N4 O14 P4 -","2","1","","Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien","[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.","Organic letters","2006","8","3","435","438","10.1021/ol052679n","","","0.71073","MoKα","","0.1853","0.1145","","","0.3132","0.3903","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505837","16.1963","0.0018","17.0849","0.0019","16.26","0.0018","90","","99.234","0.002","90","","4441","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tert-Butyl 2-(3-(benzylsulfonyl)-1-methyl-2-oxo-1,2,3,4,- tetrahydroquinolin-4-yl)acetate","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C184 H216 N8 O40 S8 -","8","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0645","0.0474","","","0.122","0.1315","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505838","17.2061","0.0008","16.3253","0.0008","16.2379","0.0008","90","","102.691","0.001","90","","4449.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 F2 N O5 S -","- C23 H25 F2 N O5 S -","- C184 H200 F16 N8 O40 S8 -","8","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.039","0.0339","","","0.0896","0.0935","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505839","14.9879","0.0017","13.5965","0.0016","8.7184","0.001","90","","95.95","0.002","90","","1767.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0658","0.0446","","","0.1063","0.1167","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505840","10.8283","0.0013","11.0456","0.0013","12.277","0.002","103.161","0.002","113.007","0.002","103.923","0.001","1223.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C52 H62 N2 O10 S2 -","2","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0641","0.0395","","","0.0798","0.0851","","","","","","0.879","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505841","7.873","0.002","8.231","0.002","18.935","0.005","90","","90","","90","","1227","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R,4S,5S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-2-yl)adenine","","- C12 H15 N5 O2 -","- C12 H15 N5 O2 -","- C48 H60 N20 O8 -","4","1","","Alibés, Ramon; Alvárez-Larena, Angel; de March, Pedro; Figueredo, Marta; Font, Josep; Parella, Teodor; Rustullet, Albert","Synthesis and conformational analysis of new cyclobutane-fused nucleosides.","Organic letters","2006","8","3","491","494","10.1021/ol052794y","","","0.71069","MoKα","","0.0348","0.0291","","","0.0752","0.0762","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505842","10.9949","0.0013","8.8953","0.0011","21.764","0.003","90","","95.626","0.003","90","","2118.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C92 H108 N4 O8 S4 -","4","1","","Lu, Lianghua; Chen, Guofei; Ma, Shengming","Ring-opening cyclization of alkylidenecyclopropyl ketones with amines. An efficient synthesis of 2,3,4-trisubstituted pyrroles.","Organic letters","2006","8","5","835","838","10.1021/ol052797a","","","0.71073","MoKα","","0.1469","0.0535","","","0.0943","0.1181","","","","","","0.8","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505843","7.7125","0.0008","5.1434","0.0005","11.7032","0.0011","90","","102.305","0.003","90","","453.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O -","- C10 H11 Br O -","- C20 H22 Br2 O2 -","2","1","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0455","0.0413","","","0.099","0.1007","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505844","23.7316","0.0016","6.1829","0.0004","15.0644","0.0011","90","","103.579","0.002","90","","2148.6","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H11 Br O -","- C6 H11 Br O -","- C72 H132 Br12 O12 -","12","3","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0463","0.0307","","","0.0636","0.0692","","","","","","0.991","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505845","15.469","0.0017","7.263","0.003","22.129","0.007","90","","90","0.006","90","","2486.2","1.3","268","2","268","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2741","0.1036","","","0.1515","0.2154","","","","","","1.194","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505846","13.1593","0.0003","13.2888","0.0006","6.9813","0.0006","90","","100.367","0.003","90","","1200.9","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2318","0.1881","","","0.1504","0.1552","","","","","","2.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505847","10.3385","0.0017","15.144","0.003","9.3743","0.0015","90","","109.245","0.003","90","","1385.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Mohan, Resmi; Suresh, Eringathodi","N-heterocyclic carbene catalyzed reaction of enals and 1,2-dicarbonyl compounds: stereoselective synthesis of spiro gamma-butyrolactones.","Organic letters","2006","8","3","507","509","10.1021/ol052926n","","","0.71073","MoKα","","0.0791","0.0638","","","0.1432","0.1511","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505848","10.372","0.003","10.387","0.003","17.53","0.005","90","","98.978","0.005","90","","1865.4","0.9","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Mohan, Resmi; Suresh, Eringathodi","N-heterocyclic carbene catalyzed reaction of enals and 1,2-dicarbonyl compounds: stereoselective synthesis of spiro gamma-butyrolactones.","Organic letters","2006","8","3","507","509","10.1021/ol052926n","","","0.71073","MoKα","","0.1141","0.069","","","0.1968","0.2551","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505849","20.9715","0.0016","39.437","0.003","13.8177","0.001","90","","90","","90","","11428","1.5","90","","90","","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C428 H362 Ag4 Cl38 F30 N16 O38 P16 Ru8 S10 -","4","1","","Mikami, Koichi; Wakabayashi, Kazuki; Aikawa, Kohsuke","""Achiral"" benzophenone ligand for highly enantioselective Ru catalysts in ketone hydrogenation.","Organic letters","2006","8","8","1517","1519","10.1021/ol052936o","","","0.71073","MoKα","","0.0821","0.0754","","","0.2099","0.2145","","","","","","1.145","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505850","7.553","0.001","10.746","0.002","13.435","0.002","90","","90","","90","","1090.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C40 H48 O16 S4 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0478","0.0359","","","0.0826","0.086","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505851","5.814","0.001","13.696","0.002","16.114","0.002","90","","95.25","0.01","90","","1277.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0814","0.0394","","","0.074","0.0812","","","","","","0.979","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505852","4.5846","0.0005","11.1492","0.0013","30.445","0.004","90","","90","","90","","1556.2","0.3","568","2","568","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ghosh, Rina; Chakraborty, Arijit; Maiti, Dilip K.; Puranik, Vedavati G.","Crystal or low molecular mass organogel based on sugar-derived chiral pyrano[2,3-b]naphtho[1,2-e]pyrans.","Organic letters","2006","8","6","1061","1064","10.1021/ol052963e","","","0.71073","MoKα","","0.0891","0.0453","","","0.095","0.1102","","","","","","0.978","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505853","12.3888","0.0007","12.427","0.0007","12.5757","0.0007","69.343","0.001","60.607","0.001","61.71","0.001","1467.06","0.14","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H84 N4 O2 Si4 -","- C54 H84 N4 O2 Si4 -","- C54 H84 N4 O2 Si4 -","1","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.0576","0.0522","","","0.1494","0.156","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505854","38.747","0.002","13.9582","0.0008","15.0445","0.0009","90","","90","","90","","8136.6","0.8","150","1","150","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C76 H126 N4 Si6 -","- C76 H126 N4 Si6 -","- C304 H504 N16 Si24 -","4","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.1113","0.0906","","","0.2179","0.235","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505855","7.72","0.02","26.56","0.08","9.43","0.04","90","","89.8","0.2","90","","1934","11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cr N O5 -","- C21 H17 Cr N O6 -","- C84 H68 Cr4 N4 O24 -","4","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1976","0.1026","","","0.2551","0.3137","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505856","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505857","16.371","0.003","7.3063","0.0012","17.618","0.003","90","","108.702","0.008","90","","1996","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C88 H76 Cr4 N4 O20 -","4","1","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.0993","0.0544","","","0.1279","0.1452","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505858","7.0987","0.0012","43.266","0.007","10.568","0.0018","90","","91.741","0.003","90","","3244.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 N2 O4 -","- C30 H62 N2 O4 -","- C120 H248 N8 O16 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1088","0.0615","","","0.1412","0.1634","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505859","7.0712","0.0005","45.852","0.003","10.6972","0.0007","90","","91.535","0.001","90","","3467.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H66 N2 O4 -","- C32 H66 N2 O4 -","- C128 H264 N8 O16 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1312","0.071","","","0.1457","0.1693","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505860","10.5447","0.0011","13.6428","0.0015","29.18","0.003","90","","99.866","0.002","90","","4135.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 N4 O8 -","- C36 H76 N4 O8 -","- C144 H304 N16 O32 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1061","0.0642","","","0.1407","0.158","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505861","10.7741","0.0007","12.4712","0.0008","14.9297","0.001","68.438","0.001","71.439","0.001","68.545","0.001","1696.74","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H60 N4 O8 -","- C32 H60 N3.956 O8 -","- C64 H120 N7.912 O16 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.058","0.0532","","","0.1339","0.1386","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505862","30.215","0.002","15.4057","0.0011","26.0418","0.0018","90","","110.101","0.001","90","","11383.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H204 N12 O24 -","- C108 H204 N12 O24 -","- C432 H816 N48 O96 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.0587","0.0526","","","0.1439","0.1482","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505863","15.069","0.003","24.79","0.006","25.46","0.006","114.553","0.004","91.187","0.004","102.178","0.005","8393","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 F12 N2 O16 P2 -","- C70 H84 F12 N2 O16 P2 -","- C280 H336 F48 N8 O64 P8 -","4","2","","Han, Tao; Chen, Chuan-Feng","A triptycene-based bis(crown ether) host: complexation with both paraquat derivatives and dibenzylammonium salts.","Organic letters","2006","8","6","1069","1072","10.1021/ol053008s","","","0.71073","MoKα","","0.2435","0.1056","","","0.2819","0.321","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505864","8.3528","0.0017","11.293","0.002","27.476","0.006","89.93","0.03","89.86","0.03","73.88","0.03","2489.9","0.9","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","Bicyclo[1.1.1]pentane-1,2,3,4-tetracarboxylic acid 2,4-dimethyl ester","","- C11 H12 O8 -","- C11 H12 O8 -","- C88 H96 O64 -","8","4","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0973","0.045","","","0.1049","0.1157","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505865","25.89","0.005","9.1958","0.0018","11.305","0.002","90","","97.94","0.03","90","","2665.7","0.9","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,R)-cis-endo-1,3-Di((1-phenylethylamino)carbonyl) bicyclo[1.1.1]pentane-2,4-dicarboxylic acid","","- C30 H31 N2 O6 -","- C30 H31 N2 O6 -","- C120 H124 N8 O24 -","4","1","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0925","0.0386","","","0.0495","0.0616","","","","","","0.604","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505866","13.9598","0.0005","25.6067","0.0008","14.3176","0.0005","90","","114.59","0.0013","90","","4653.9","0.3","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C57 H48 Si3 -","- C57 H48 Si3 -","- C228 H192 Si12 -","4","1","","Feng, Xinliang; Wu, Jishan; Enkelmann, Volk; Müllen, Klaus","Hexa-peri-hexabenzocoronenes by efficient oxidative cyclodehydrogenation: the role of the oligophenylene precursors.","Organic letters","2006","8","6","1145","1148","10.1021/ol053043z","","","0.71073","MoKα","","0.0629","0.0571","","0.0725","0.0671","0.0671","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505867","12.1176","0.0005","15.0945","0.0006","18.9522","0.0006","90","","99.5309","0.0012","90","","3418.7","0.2","120","","120","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 -","- C50 H40 -","- C200 H160 -","4","1","","Feng, Xinliang; Wu, Jishan; Enkelmann, Volk; Müllen, Klaus","Hexa-peri-hexabenzocoronenes by efficient oxidative cyclodehydrogenation: the role of the oligophenylene precursors.","Organic letters","2006","8","6","1145","1148","10.1021/ol053043z","","","0.71073","MoKα","","0.1297","0.0502","","0.0572","0.0551","0.0551","","","","","","1.1498","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505868","18.5614","0.0003","34.2968","0.0008","10.4254","0.0002","90","","107.776","0.001","90","","6319.9","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Richards","","- C42 H36 Co N2 O0.5 -","- C42 H36 Co N2 O0.5 -","- C336 H288 Co8 N16 O4 -","8","1","","Nguyen, Huy V.; Butler, David C. D.; Richards, Christopher J.","A metallocene-pyrrolidinopyridine nucleophilic catalyst for asymmetric synthesis.","Organic letters","2006","8","4","769","772","10.1021/ol053050n","","","0.71073","MoKα","","0.0605","0.0385","","","0.088","0.0971","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505869","8.3022","0.0007","14.6332","0.0012","26.376","0.002","90","","90","","90","","3204.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","05294","","","- C36 H45 N O4 Si -","- C36 H45 N O4 Si -","- C144 H180 N4 O16 Si4 -","4","1","","Swidorski, Jacob J.; Wang, Jiashi; Hsung, Richard P.","A concise total synthesis of (-)-cylindricine C through a stereoselective intramolecular aza-[3 + 3] annulation strategy.","Organic letters","2006","8","4","777","780","10.1021/ol053059p","","","0.71073","MoKα","","0.0694","0.0399","","","0.0831","0.0971","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505870","7.7874","0.0007","9.2435","0.0009","9.3529","0.0009","108.87","0.002","107.825","0.002","95.669","0.002","591.68","0.1","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H34 -","- C30 H34 -","- C30 H34 -","1","0.5","","Cui, Weibin; Zhang, Xiaojie; Jiang, Xiaoxia; Tian, Hongkun; Yan, Donghang; Geng, Yanhou; Jing, Xiabin; Wang, Fosong","Synthesis and characterization of soluble oligo (9,10-bisalkynylanthrylene)s.","Organic letters","2006","8","4","785","788","10.1021/ol0530777","","","0.71073","MoKα","","0.0639","0.0503","","","0.1439","0.1598","","","","","","0.983","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505871","7.8294","0.0013","11.3508","0.0015","11.6799","0.0005","104.494","0.005","91.16","0.008","101.957","0.012","980.3","0.2","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","(7a-Hydroxymethyl-1,2,3,7a-tetrahydro-inden-3a-yl)-methanol","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","","Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier","Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.","Organic letters","2006","8","5","951","954","10.1021/ol053130r","","x-ray","1.5418","CuKα","","0.1575","0.0977","","","0.2413","0.2667","","","","","","0.963","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505872","7.432","0.01","21.592","0.012","7.462","0.009","90","","116.22","0.11","90","","1074","2","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier","Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.","Organic letters","2006","8","5","951","954","10.1021/ol053130r","","x-ray","1.5418","CuKα","","0.1949","0.0969","","","0.2793","0.3805","","","","","","1.29","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505873","9.435","0.001","11.465","0.001","19.104","0.002","90","","90","","90","","2066.5","0.4","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 16","","","- C18 H31 N O3 S2 -","- C18 H31 N O3 S2 -","- C72 H124 N4 O12 S8 -","4","1","","Velázquez, Francisco; Arasappan, Ashok; Chen, Kevin; Sannigrahi, Mousumi; Venkatraman, Srikanth; McPhail, Andrew T.; Chan, Tze-Ming; Shih, Neng-Yang; Njoroge, F. George","Stereoselective synthesis of beta-substituted beta-amino sulfones and sulfonamides via addition of sulfonyl anions to chiral N-sulfinyl imines.","Organic letters","2006","8","4","789","792","10.1021/ol053132b","","","1.5418","CuKα","","0.075","0.064","","0.166","0.162","","","","1.02","1.02","1.02","","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505874","9.9133","0.0001","15.9233","0.0004","10.8269","0.0002","90","","105.844","0.002","90","","1644.12","0.06","253","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.158","","","","0.219","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505875","15.5946","0.0005","18.5492","0.0006","6.2256","0.0003","90","","90","","90","","1800.86","0.12","253","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.07","","","","0.148","","","","","","0.978","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505876","5.6563","0.0001","16.0226","0.0005","18.3994","0.0007","90","","97.089","0.001","90","","1654.77","0.09","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.71069","MoKα","","0.1438","0.1074","","","0.1903","0.2034","","","","","","1.32","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505877","17.779","0.003","5.731","0.001","9.827","0.002","90","","98.24","0.01","90","","991","0.3","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F3 N O5 -","- C21 H20 F3 N O5 -","- C42 H40 F6 N2 O10 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.035","","","","0.1","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505878","12.06","0.02","10.836","0.005","9.436","0.007","90","","104.83","0.09","90","","1192","2","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C52 H48 F6 N2 O8 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.037","","","","0.099","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505879","9.062","0.002","11.895","0.003","12.311","0.003","98.051","0.006","100.63","0.01","109.27","0.01","1202","0.5","223.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N O5 Si -","- C24 H31 N O5 Si -","- C48 H62 N2 O10 Si2 -","2","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.045","","","","0.049","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505880","8.94","0.002","12.302","0.004","21.509","0.004","90","","94.2","0.01","90","","2359.2","1","223.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O5 Si -","- C23 H29 N O5 Si -","- C92 H116 N4 O20 Si4 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.039","","","","0.081","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505881","12.051","0.002","20.06","0.004","11.469","0.002","90","","35.698","0.006","90","","1617.8","0.6","223.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.04","","","","0.079","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505882","14.582","0.002","18.285","0.003","5.944","0.001","90","","90","","90","","1584.9","0.4","223.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.035","","","","0.038","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505883","7.31","0.03","10.78","0.02","14.356","0.016","90","","103.2","0.2","90","","1101","5","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C56 H32 S8 -","4","1","","Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito","Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes","Organic Letters","2006","8","6","1197","1200","10.1021/ol0600281","","x-ray","0.71073","MoKα","","0.0393","0.0346","","","0.0985","0.1017","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505884","7.169","0.001","17.422","0.003","17.421","0.002","87.315","0.007","83.118","0.006","83.334","0.007","2144.4","0.5","114.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C112 H64 S16 -","8","4","","Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito","Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes","Organic Letters","2006","8","6","1197","1200","10.1021/ol0600281","","","0.7107","MoKα","","","0.0825","","","","0.2097","","","","","","0.963","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505885","6.7041","0.0011","12.864","0.002","23.295","0.004","90","","90","","90","","2009","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05114","(2R,5R,1'R)-2-tert-Butyl-5-(2',2'-dimethyl-1-(2S-carboxy-1-pyrrolidinyl) propyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one (16)","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C80 H136 N8 O16 -","4","1","","Vartak, Ashish P.; Johnson, Rodney L.","Concerted synthesis of a spirobicyclic type-VI beta-turn mimic of Pro-Pro-Pro-NH2.","Organic letters","2006","8","5","983","986","10.1021/ol0600335","","","0.71073","MoKα","","0.0482","0.0361","","","0.0849","0.0907","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505886","10.1259","0.0009","14.7103","0.0013","14.0452","0.0013","90","","102.284","0.002","90","","2044.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Kong, Aidi; Han, Xiuling; Lu, Xiyan","Highly efficient construction of benzene ring in carbazoles by palladium-catalyzed endo-mode oxidative cyclization of 3-(3'-alkenyl)indoles.","Organic letters","2006","8","7","1339","1342","10.1021/ol060039u","","","0.71073","MoKα","","0.0873","0.0516","","","0.1144","0.1284","","","","","","0.899","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505887","6.02","0.0007","15.08","0.0013","16.371","0.0011","90","","92.672","0.003","90","","1484.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.1566","0.0509","","","0.1108","0.1383","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505888","7.4374","0.0004","8.0243","0.0006","11.3999","0.0015","90","","92.67","0.007","90","","679.61","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H9 N O6 -","- C15 H9 N O6 -","- C30 H18 N2 O12 -","2","0.5","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.0603","0.0412","","","0.1034","0.1126","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505889","13.2968","0.0002","19.1906","0.0003","23.6024","0.0005","90","","97.599","0.001","90","","5969.82","0.18","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H60 Cl3 N7 O6 -","- C57 H60 Cl3 N7 O6 -","- C228 H240 Cl12 N28 O24 -","4","1","","Kaewtong, Chatthai; Fuangswasdi, Saowarux; Muangsin, Nongnuj; Chaichit, Narongsak; Vicens, Jacques; Pulpoka, Buncha","Novel C3v-symmetrical N7-Hexahomotriazacalix[3]cryptand: a highly efficient receptor for halide anions.","Organic letters","2006","8","8","1561","1564","10.1021/ol060052e","","","0.71073","MoKα","","","0.1046","","","","0.3769","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505890","16.645","0.002","16.645","0.002","9.0395","0.0018","90","","90","","120","","2168.9","0.6","293","2","293","2","","","","","","","synthesis","5","P 63","P 6c","173","tisphosphoramide 1d","","","- C51 H54 N3 O4 P -","- C51 H54 N3 O4 P -","- C102 H108 N6 O8 P2 -","2","0.333333","","Du, Da-Ming; Fang, Tao; Xu, Jiaxi; Zhang, Shi-Wei","Structurally well-defined, recoverable C3-symmetric tris(beta-hydroxy phosphoramide)-catalyzed enantioselective borane reduction of ketones.","Organic letters","2006","8","7","1327","1330","10.1021/ol0600584","","x-ray","0.71073","MoKα","","0.045","0.0305","","","0.062","0.0645","","","","","","0.798","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505891","15.4671","0.0013","22.6543","0.0018","27.05","0.002","90","","102.299","0.002","90","","9260.7","1.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H36 Cl2 F40 N10 -","- C102 H36 Cl2 F40 N10 -","- C408 H144 Cl8 F160 N40 -","4","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.71073","MoKα","","0.1477","0.0846","","","0.2478","0.2883","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505892","15.209","0.003","22.606","0.004","27.009","0.005","90","","101.382","0.003","90","","9103","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H32 Cl4 F40 N10 -","- C96 H32 Cl4 F40 N10 -","- C384 H128 Cl16 F160 N40 -","4","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.71073","MoKα","","0.1135","0.0826","","","0.2235","0.2543","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505893","7.9496","0.0008","12.7043","0.0013","13.1705","0.0013","90","","90","","90","","1330.1","0.2","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Shim, Sang Hee; Swenson, Dale C.; Gloer, James B.; Dowd, Patrick F.; Wicklow, Donald T.","Penifulvin A: a sesquiterpenoid-derived metabolite containing a novel dioxa[5,5,5,6]fenestrane ring system from a fungicolous isolate of Penicillium griseofulvum.","Organic letters","2006","8","6","1225","1228","10.1021/ol060107c","","","0.71069","MoKα","","0.0487","0.0355","","","0.0793","0.0842","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505894","7.215","0.001","7.524","0.001","16.782","0.003","90","","92.21","0.03","90","","910.3","0.2","198","2","198","2","","","0","","","","synthetic","4","P 1 21 1","P 2yb","4","","vinylcyclopentan","","- C15 H30 O3 Si -","- C15 H30 O3 Si -","- C30 H60 O6 Si2 -","2","1","","Helmboldt, Hannes; Köhler, Daniel; Hiersemann, Martin","Synthesis of the norjatrophane diterpene (-)-15-acetyl-3-propionyl- 17-norcharaciol.","Organic letters","2006","8","8","1573","1576","10.1021/ol060115t","","x-ray","0.71073","MoKα","","0.049","0.0382","","","0.0964","0.1002","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505895","9.969","0.002","10.816","0.002","11.889","0.003","90","","112.1","0.004","90","","1187.7","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F3 N2 O S -","- C8 H13 F3 N2 O S -","- C32 H52 F12 N8 O4 S4 -","4","2","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.0694","0.0582","","","0.1399","0.1693","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505896","9.2287","0.0012","8.0025","0.001","10.3705","0.0014","90","","90.623","0.002","90","","765.84","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N2 O S -","- C13 H15 F3 N2 O S -","- C26 H30 F6 N4 O2 S2 -","2","1","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.037","0.0333","","","0.0749","0.0766","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505897","11.277","0.002","11.841","0.002","19.771","0.003","90","","90","","90","","2640","0.8","293","2","293","2","","","","","","","","3","I b c a","-I 2b 2c","73","","diisopropylammonium benzotriazolate","","- C12 H20 N4 -","- C12 H20 N4 -","- C96 H160 N32 -","8","0.5","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0575","0.0555","","","0.1473","0.1493","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505898","9.087","0.002","21.565","0.003","12.4","0.002","90","","93.37","0.03","90","","2425.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium benzotriazolate benzotriazole 1:1:1","","- C24 H33 N7 -","- C24 H33 N7 -","- C96 H132 N28 -","4","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0484","0.0396","","","0.1158","0.1232","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505899","14.607","0.003","17.531","0.003","18.792","0.003","90","","103.93","0.06","90","","4670.6","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dicyclohexylammonium benzotriazolate phenol (1:1:1)","","- C24 H34 N4 O -","- C24 H34 N4 O -","- C192 H272 N32 O8 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0812","0.0709","","","0.1966","0.2276","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505900","8.717","0.002","21.365","0.003","23.39","0.003","90","","90","","90","","4356.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cyclopropylammonium benzotriazolate benzotriazole (1:1:2)","","- C21 H22 N10 -","- C21 H22 N10 -","- C168 H176 N80 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0664","0.0507","","","0.1518","0.1623","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505901","11.573","0.003","14.732","0.004","17.032","0.005","90","","98.886","0.011","90","","2869","1.4","297.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O8 -","- C31 H34 O8 -","- C124 H136 O32 -","4","1","","Wang, Yan-Guang; Cui, Sun-Liang; Lin, Xu-Feng","A highly selective cascade approach to diverse aromatic ring systems from simple aromatic aldehydes and propiolates.","Organic letters","2006","8","6","1241","1244","10.1021/ol060143b","","","0.71075","MoKα","","","0.0475","","","","0.1218","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505902","14.248","0.003","7.7909","0.0016","22.151","0.005","90","","108.455","0.003","90","","2332.4","0.9","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C100 H112 N8 O20 -","4","1","","Bentley, David J.; Slawin, Alexandra M. Z.; Moody, Christopher J.","Total synthesis of stephanotic acid methyl ester.","Organic letters","2006","8","10","1975","1978","10.1021/ol060153c","","","0.71073","MoKα","","0.0438","0.0368","","","0.0855","0.0902","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505903","13.409","0.002","13.645","0.002","14.854","0.002","90","","103.485","0.002","90","","2642.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","deoxycholate anion receptor1","","","- C45 H60 Br2 Cl6 N4 O8 -","- C45 H60 Br2 Cl6 N4 O8 -","- C90 H120 Br4 Cl12 N8 O16 -","2","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.0918","0.0687","","","0.1542","0.1633","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505904","27.172","0.005","8.5342","0.0016","23.688","0.004","90","","121.809","0.003","90","","4668","1.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","deoxycholate anion receptor2","","","- C43 H60 Br2 N4 O7.5 -","- C43 H60 Br2 N4 O7.5 -","- C172 H240 Br8 N16 O30 -","4","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.1259","0.0609","","","0.1571","0.1904","","","","","","0.917","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1505905","9.8674","0.0016","11.449","0.003","17.359","0.006","102.14","0.02","105.57","0.02","95.79","0.02","1820.9","0.9","120","2","120","2","","","","","","","Dan Pantos","4","P -1","-P 1","2","","","","- C39.5 H40 N5 O10.5 -","- C39.5 H40 N5 O10.5 -","- C79 H80 N10 O21 -","2","1","","Sessler, Jonathan L.; Pantos, G. Dan; Gale, Philip A.; Light, Mark E.","Synthesis and anion binding properties of N,N'-bispyrrol-2-yl-2,5-diamidopyrrole.","Organic letters","2006","8","8","1593","1596","10.1021/ol060193g","","","0.71073","MoKα","","0.1674","0.0771","","","0.1817","0.224","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505906","18.443","0.008","8.521","0.003","27.694","0.012","90","","105.917","0.007","90","","4185","3","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C176 H152 Br8 N16 O16 S8 -","8","2","","Jia, Yi-Xia; Xie, Jian-Hua; Duan, Hai-Feng; Wang, Li-Xin; Zhou, Qi-Lin","Asymmetric Friedel-Crafts addition of indoles to N-sulfonyl aldimines: a simple approach to optically active 3-indolyl-methanamine derivatives.","Organic letters","2006","8","8","1621","1624","10.1021/ol0602001","","","","","","0.163","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505907","22.88","0.005","25.666","0.006","14.578","0.003","90","","123.552","0.005","90","","7134","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl2 Hg N4 O12 S2 -","- C32 H32 Cl2 Hg N4 O12 S2 -","- C256 H256 Cl16 Hg8 N32 O96 S16 -","8","1","","Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships.","Organic letters","2006","8","8","1641","1643","10.1021/ol0602405","","","0.71073","MoKα","","0.2073","0.0622","","","0.1254","0.1982","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505908","11.3042","0.0011","36.375","0.004","8.3764","0.0008","90","","100.603","0.002","90","","3385.5","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Hg I2 N4 O4 S2 -","- C32 H32 Hg I2 N4 O4 S2 -","- C128 H128 Hg4 I8 N16 O16 S8 -","4","1","","Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships.","Organic letters","2006","8","8","1641","1643","10.1021/ol0602405","","","0.71073","MoKα","","0.0734","0.0435","","","0.1063","0.1283","","","","","","1.124","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1505909","23.964","0.009","6.054","0.002","11.16","0.004","90","","90","","90","","1619.1","1","218","2","218","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H14 N4 -","- C22 H14 N4 -","- C88 H56 N16 -","4","1","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0425","0.0383","","","0.094","0.0966","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505910","8.3433","0.0009","12.0224","0.0013","15.8306","0.0018","90","","98.373","0.002","90","","1571","0.3","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 N8 -","- C44 H28 N8 -","- C88 H56 N16 -","2","0.5","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0766","0.0547","","","0.1452","0.1607","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505911","21.326","0.005","21.2","0.005","23.53","0.005","90","0.005","111.92","0.005","90","0.005","9869","4","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C151 H80 O10 -","- C151 H80 O10 -","- C604 H320 O40 -","4","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71069","MoKα","","0.1976","0.1211","","","0.291","0.3447","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505912","14.443","","16.347","","17.597","","76.19","","75.68","","70.01","","3728.43","","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","C60C6H4COOEt5Me","","- C113 H56 O10 -","- C113 H56 O10 -","- C226 H112 O20 -","2","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71073","MoKα","","0.1852","0.1439","","","0.3778","0.4211","","","","","","1.476","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505913","10.585","0.004","12.668","0.004","9.841","0.004","97.61","0.03","99.46","0.03","92.88","0.03","1286.7","0.8","298.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H76 O8 -","- C56 H76 O8 -","- C56 H76 O8 -","1","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoKα","","","0.071","","","","0.226","","","","","","1.04","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1505914","11.365","0.005","21.338","0.006","16.49","0.02","90","","90","","90","","3999","5","298.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H55 N O4 -","- C48 H55 N O4 -","- C192 H220 N4 O16 -","4","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoKα","","","0.077","","","","0.244","","","","","","0.994","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"1505915","9.9905","0.0011","10.8313","0.0012","16.1426","0.0019","90","","99.003","0.003","90","","1725.3","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O4 -","- C40 H53 N O4 -","- C80 H106 N2 O8 -","2","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71069","MoKα","","0.0683","0.0409","","","0.0845","0.095","","","","","","0.811","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505916","6.1276","0.0003","12.1417","0.0006","15.6434","0.0008","109.99","0.002","95.395","0.002","95.643","0.002","1078.26","0.09","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C50 H48 Br2 N2 O6 -","2","2","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71073","MoKα","","0.0609","0.0539","","","0.137","0.143","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505917","6.1395","0.0009","23.287","0.003","11.4789","0.0017","90","","101.384","0.002","90","","1608.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.064","0.0482","","","0.1032","0.1109","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505918","18.387","0.012","8.174","0.005","26.538","0.018","90","","96.093","0.012","90","","3966","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C184 H176 O24 S8 -","8","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.0747","0.0599","","","0.1613","0.1709","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505919","9.1854","0.0012","9.9315","0.0013","21.382","0.003","90","","94.101","0.002","90","","1945.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C92 H88 O12 S4 -","4","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.0743","0.0479","","","0.1165","0.1287","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505920","9.754","0.002","12.086","0.002","13.614","0.003","90","","90","","90","","1604.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O5 -","- C16 H18 F N O5 -","- C64 H72 F4 N4 O20 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0435","0.0357","","","0.0935","0.0981","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505921","9.6137","0.0019","11.512","0.002","13.536","0.003","90","","90","","90","","1498.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O4 -","- C16 H18 F N O4 -","- C64 H72 F4 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0668","0.038","","","0.0704","0.0777","","","","","","0.952","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505922","6.3666","0.0004","15.3404","0.0009","17.1852","0.0013","90","","90","","90","","1678.41","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0455","0.0331","","","0.0785","0.0835","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505923","6.0083","0.0004","19.6711","0.0014","18.7067","0.0013","90","","97.123","0.001","90","","2193.9","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0503","0.0371","","","0.094","0.1035","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505924","25.1768","0.0018","11.7431","0.0008","20.5459","0.0015","90","","105.89","0.0012","90","","5842.4","0.7","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H39 Cl O4 -","- C34.5 H39 Cl O4 -","- C276 H312 Cl8 O32 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.101","0.069","","","0.1983","0.2255","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505925","18.1743","0.0016","14.9401","0.0013","17.2589","0.0015","90","","95.7046","0.0012","90","","4663","0.7","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H23 Cl3 -","- C29 H23 Cl3 -","- C232 H184 Cl24 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0581","0.0401","","","0.101","0.1117","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505926","16.9495","0.0009","15.8806","0.0009","20.9138","0.0012","90","","105.999","0.001","90","","5411.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F6 N2 O5 Pd -","- C25 H26 F6 N2 O5 Pd -","- C200 H208 F48 N16 O40 Pd8 -","8","2","","Rogers, Michelle M.; Wendlandt, Johanna E.; Guzei, Ilia A.; Stahl, Shannon S.","Aerobic intramolecular oxidative amination of alkenes catalyzed by NHC-coordinated palladium complexes.","Organic letters","2006","8","11","2257","2260","10.1021/ol060327q","","","0.71073","MoKα","","0.0682","0.0493","","","0.1304","0.1526","","","","","","0.958","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505927","9.129","0.006","12.031","0.003","9.871","0.007","90","","102.28","0.03","90","","1059.3","1.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0705","0.0653","","","0.1671","0.1721","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505928","24.997","0.005","8.6063","0.0009","19.087","0.004","90","","111.239","0.008","90","","3827.3","1.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","2","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.1951","0.0835","","","0.1978","0.2568","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505929","16.0866","0.0008","17.8033","0.001","7.1185","0.0004","90","","90","","90","","2038.7","0.19","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C88 H72 N8 O24 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","0.71069","MoKα","","0.1443","0.0534","","","0.1173","0.1467","","","","","","0.814","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505930","10.6889","0.0019","7.5335","0.0016","22.998","0.004","90","","101.875","0.009","90","","1812.3","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0663","0.056","","","0.1565","0.1664","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505931","7.8657","0.0005","9.0257","0.0005","9.668","0.0006","64.462","0.004","75.228","0.003","74.537","0.004","589.1","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C24 H22 Br2 N4 O4 -","2","1","","Krasnova, Larissa B.; Yudin, Andrei K.","Highly regioselective transformation of alkenyl bromides into alpha-bromoaziridines and alpha-bromohydrazones.","Organic letters","2006","8","10","2011","2014","10.1021/ol060336z","","","0.71073","MoKα","","0.0476","0.0362","","","0.0819","0.087","","","","","","1.033","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505932","10.8414","0.0008","10.9897","0.0006","11.1654","0.0006","82.275","0.003","80.529","0.003","63.336","0.003","1169.84","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","England, Dylan B.; Magolan, Jakob; Kerr, Michael A.","Synthesis of the western half of the lolicines and lolitrems.","Organic letters","2006","8","11","2209","2212","10.1021/ol060338j","","","0.71073","MoKα","","0.0973","0.0524","","","0.1292","0.1473","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505933","15.362","0.002","10.6888","0.0014","16.338","0.002","90","","92.15","0.002","90","","2680.8","0.6","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C111 H106 B2 Cl6 F8 O12 P4 Rh2 -","2","1","","Duan, Hai-Feng; Xie, Jian-Hua; Shi, Wen-Jian; Zhang, Qi; Zhou, Qi-Lin","Enantioselective rhodium-catalyzed addition of arylboronic acids to aldehydes using chiral spiro monophosphite ligands.","Organic letters","2006","8","7","1479","1481","10.1021/ol060360c","","","0.71073","MoKα","","0.088","0.0494","","","0.1137","0.132","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505934","7.3633","0.0003","12.2983","0.0005","32.9857","0.0014","90","","90","","90","","2987.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H49 N O5 -","- C31.014 H49 N O5 -","- C124.056 H196 N4 O20 -","4","1","","Nichols, Paul J.; Demattei, John A.; Barnett, Bradley R.; Lefur, Nicole A.; Chuang, Tsung-Hsun; Piscopio, Anthony D.; Koch, Kevin","Preparation of pyrrolidine-based PDE4 inhibitors via enantioselective conjugate addition of alpha-substituted malonates to aromatic nitroalkenes.","Organic letters","2006","8","7","1495","1498","10.1021/ol060398p","","","0.71073","MoKα","","0.1544","0.1017","","","0.2608","0.2973","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505935","15.4115","0.0017","15.2733","0.0017","15.5755","0.0018","90","","101.178","0.002","90","","3596.7","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","","Yang, Yong-Hua; Shi, Min","A stereoselective synthetic route to 1,6-Dioxaspiro[4.4]non-3-en-2-ones from cyclopropyl alkyl ketones and alpha-ketoesters.","Organic letters","2006","8","8","1709","1712","10.1021/ol060415a","","","0.71073","MoKα","","0.0762","0.0526","","","0.1355","0.1451","","","","","","0.902","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505936","7.005","0.002","9.105","0.003","16.371","0.006","90","","93.84","0.01","90","","1041.8","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O9 -","- C21 H24 N2 O9 -","- C42 H48 N4 O18 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505937","7.5306","0.0004","13.0421","0.0007","15.3021","0.001","90","","91.971","0.004","90","","1502","0.15","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H46 O4 Si -","- C32 H31 O4 Si -","- C64 H62 O8 Si2 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","1.54187","CuKα","","","0.0651","","","","0.1858","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505938","12.3934","0.0015","22.795","0.003","17.545","0.002","90","","102.413","0.002","90","","4840.7","1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H114 F12 N4 O16 P2 -","- C100 H114 F12 N4 O16 P2 -","- C200 H228 F24 N8 O32 P4 -","2","0.5","","Zong, Qian-Shou; Zhang, Chun; Chen, Chuan-Feng","Self-assembly of triptycene-based cylindrical macrotricyclic host with dibenzylammonium ions: construction of dendritic [3]pseudorotaxanes.","Organic letters","2006","8","9","1859","1862","10.1021/ol0604419","","","0.71073","MoKα","","0.1895","0.0905","","","0.242","0.3246","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505939","9.202","0.002","8.4447","0.0019","27.273","0.006","90","","93.76","0.005","90","","2114.8","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O7 -","- C19 H23 N3 O7 -","- C76 H92 N12 O28 -","4","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.1126","0.0685","","","0.183","0.2126","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505940","9.368","0.004","11.046","0.004","12.816","0.005","103.806","0.006","99.468","0.006","99.592","0.007","1240.6","0.8","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O5 -","- C25 H18 N2 O5 -","- C50 H36 N4 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.174","0.1291","","","0.3764","0.4151","","","","","","1.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505941","9.606","0.007","10.722","0.008","11.989","0.009","71.178","0.013","71.546","0.016","64.928","0.014","1035.1","1.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C40 H52 N4 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.1561","0.0778","","","0.1829","0.2272","","","","","","0.974","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505942","7.4379","0.001","11.1077","0.0014","13.6905","0.0017","90","","102.016","0.002","90","","1106.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Reddy, Leleti Rajender; Corey, E. J.","Novel bicyclization reaction leading to a fused beta-lactone.","Organic letters","2006","8","8","1717","1719","10.1021/ol060464n","","","0.71073","MoKα","","0.0425","0.0393","","","0.0957","0.0977","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505943","11.4155","0.0016","20.035","0.003","25.895","0.004","90","","93.774","0.003","90","","5909.6","1.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Br2 O5 Si -","- C29 H34 Br2 O5 Si -","- C232 H272 Br16 O40 Si8 -","8","2","","Okamoto, Noriko; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Epoxysilane rearrangement induced by a carbanion generated by conjugate addition of enolates of chloroacetate and alpha-chloroacetamides: formation of functionalized cyclopropane derivatives.","Organic letters","2006","8","9","1889","1891","10.1021/ol060469k","","","0.71073","MoKα","","0.2047","0.0592","","","0.124","0.1809","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505944","18.011","0.005","18.011","0.005","14.279","0.008","90","","90","","90","","4632","3","193","2","193","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0518","0.036","","","0.0835","0.0925","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505945","5.3345","0.0009","15.737","0.002","17.134","0.003","90","","90","","90","","1438.4","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0526","0.0394","","","0.0708","0.0752","","","","","","0.801","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505946","24.869","0.014","11.816","0.007","8.085","0.005","90","","103.348","0.011","90","","2312","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0433","0.0355","","","0.0887","0.0937","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505947","8.4101","0.0017","8.6372","0.0018","20.288","0.004","90","","90","","90","","1473.7","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0992","0.0954","","","0.1676","0.1688","","","","","","1.398","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505948","8.523","0.002","9.314","0.002","17.357","0.004","90","","97.879","0.005","90","","1364.8","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","2","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0641","0.0473","","","0.0957","0.1065","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505949","8.4676","0.0015","10.3486","0.0019","18.041","0.003","90","","90","","90","","1580.9","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.1014","0.0867","","","0.1285","0.132","","","","","","1.4","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505950","8.6105","0.0016","9.7462","0.0018","18.86","0.003","90","","90","","90","","1582.7","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.074","0.0723","","","0.1307","0.1314","","","","","","1.429","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505951","13.342","0.003","9.981","0.003","16.534","0.004","90","","94.778","0.004","90","","2194.1","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 O8 -","- C24 H19 O8 -","- C96 H76 O32 -","4","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Desymmetrization of cyclic anhydrides using dihydroxy compounds: selective synthesis of macrocyclic tetralactones.","Organic letters","2006","8","9","1913","1916","10.1021/ol060509k","","","0.71073","MoKα","","0.137","0.1286","","","0.3586","0.3634","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505952","10.4391","0.0019","11.314","0.002","17.157","0.003","83.844","0.003","85.99","0.003","63.167","0.003","1797.2","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C H O -","- C1.5477 H1.69811 O0.226943 -","- C82.028 H90 O12.028 -","53","26.5","","Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh","Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.","Organic letters","2006","8","11","2237","2240","10.1021/ol0605124","","","0.71073","MoKα","","0.1049","0.0912","","","0.2212","0.2375","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505953","10.4391","0.0019","11.314","0.002","17.157","0.003","83.844","0.003","85.99","0.003","63.167","0.003","1797.2","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H45 O6 -","- C41 H45 O6 -","- C82 H90 O12 -","2","1","","Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh","Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.","Organic letters","2006","8","11","2237","2240","10.1021/ol0605124","","","0.71073","MoKα","","0.1049","0.0912","","","0.2212","0.2375","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505954","10.4474","0.0007","13.7791","0.001","23.7993","0.0016","90","","90","","90","","3426","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Chen, Wenbo; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement.","Organic letters","2006","8","10","2087","2090","10.1021/ol0605171","","","0.71073","MoKα","","0.0932","0.0554","","","0.1333","0.1523","","","","","","0.965","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505955","8.793","0.001","10.789","0.001","16.09","0.001","109.16","0.01","90.96","0.01","112.66","0.01","1312.5","0.3","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","1","1","","Wünnemann, Stefan; Fröhlich, Roland; Hoppe, Dieter","3,3'-oxazolidinyl-substituted 2,2'-biphenyldiols: novel tropos ligands with a large induction on the chiral axis.","Organic letters","2006","8","12","2455","2458","10.1021/ol060528u","","","1.54178","CuKα","","0.0821","0.0689","","","0.1754","0.1903","","","","","","1.048","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1505956","7.9018","0.0007","13.9786","0.0014","12.2708","0.0011","90","","100.951","0.005","90","","1330.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O4 S Si -","- C25 H38 N2 O4 S Si -","- C50 H76 N4 O8 S2 Si2 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.077","0.044","","","0.075","0.082","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505957","12.0695","0.0007","7.0753","0.0002","18.1535","0.0011","90","","100.805","0.004","90","","1522.74","0.14","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C54 H96 O8 S2 Si4 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.072","0.047","","","0.088","0.097","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505958","8.064","0.0001","14.0827","0.0002","28.0965","0.0006","90","","90","","90","","3190.72","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.068","0.037","","","0.075","0.084","","","","","","0.959","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505959","10.3367","0.0008","10.7685","0.0007","28.627","0.002","90","","90","","90","","3186.5","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.112","0.097","","","0.205","0.216","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505960","6.4828","0.0014","8.2179","0.0016","20.787","0.005","90","","94.519","0.013","90","","1104","0.4","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Kong, Ke; Romo, Daniel","Diastereoselective, vinylogous mukaiyama aldol additions of silyloxy furans to cyclic ketones: annulation of butenolides and gamma-lactones.","Organic letters","2006","8","14","2909","2912","10.1021/ol060534q","","","1.54178","CuKα","","0.0544","0.047","","","0.1114","0.1163","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505961","11.594","0.002","9.74","0.0019","13.117","0.003","90","","111.1","0.03","90","","1381.9","0.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O17 -","- C23 H34 O17 -","- C46 H68 O34 -","2","1","","Li, Xiao-Li; Cheng, Xiao; Yang, Liu-Meng; Wang, Rui-Rui; Zheng, Yong-Tang; Xiao, Wei-Lie; Zhao, Yu; Xu, Gang; Lu, Yang; Chang, Ying; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Dichotomains A and B: two new highly oxygenated phenolic derivatives from Dicranopteris dichotoma.","Organic letters","2006","8","9","1937","1940","10.1021/ol060535i","","","0.71073","MoKα","","0.0922","0.0874","","","0.1777","0.1815","","","","","","1.231","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505962","11.654","0.003","10.754","0.003","15.597","0.004","90","0.001","107.367","0.0011","90","0.001","1865.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 B2 N2 -","- C46 H54 B2 N2 -","- C92 H108 B4 N4 -","2","0.5","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Syntheses, structure, and optical properties of ladder-type fused azaborines.","Organic letters","2006","8","11","2241","2244","10.1021/ol060539n","","","0.7107","MoKα","","0.0393","0.0377","","","0.0947","0.0961","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505963","8.856","0.005","19.688","0.012","9.065","0.005","90","","98.531","0.009","90","","1563.1","1.6","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0827","0.056","","","0.154","0.1713","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505964","9.6295","0.0009","10.5087","0.001","15.1393","0.0014","90","","105.982","0.002","90","","1472.8","0.2","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0509","0.0428","","","0.1187","0.125","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505965","16.0885","0.0017","9.0949","0.001","11.4633","0.0012","90","","104.433","0.002","90","","1624.4","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 O2 S -","- C17 H12 Cl2 O2 S -","- C68 H48 Cl8 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0535","0.0408","","","0.0983","0.1053","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505966","7.6288","0.0013","27.022","0.005","10.6632","0.0018","90","","108.022","0.003","90","","2090.3","0.6","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Jeong, Jeannie H.; Weinreb, Steven M.","Formal total synthesis of the cytotoxic marine ascidian alkaloid haouamine A.","Organic letters","2006","8","11","2309","2312","10.1021/ol060556c","","","0.71073","MoKα","","0.0938","0.0632","","","0.1288","0.1398","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505967","7.704","0.0006","20.7495","0.0017","11.3041","0.0009","90","","97.818","0.001","90","","1790.2","0.2","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0757","0.0518","","","0.1375","0.154","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505968","7.9584","0.0006","11.0098","0.0009","11.1684","0.0009","69.002","0.001","83.187","0.001","84.371","0.001","905.51","0.12","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0651","0.0533","","","0.1504","0.1612","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505969","9.9891","0.0011","9.0635","0.0011","19.991","0.002","90","","103.081","0.002","90","","1762.9","0.3","295","2","295","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0936","0.0596","","","0.1463","0.1701","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505970","4.9719","0.0009","14.74","0.003","26.89","0.005","90","","90","","90","","1970.7","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Evans, David A.; Fandrick, Keith R.","Catalytic enantioselective pyrrole alkylations of alpha,beta-unsaturated 2-acyl imidazoles.","Organic letters","2006","8","11","2249","2252","10.1021/ol060576e","","","0.71073","MoKα","","0.0843","0.0588","","","0.0786","0.0849","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505971","6.9889","0.001","12.7368","0.0019","14.102","0.002","114.04","0.002","99.928","0.003","93.764","0.002","1116.3","0.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 N O2 Si2 -","- C20 H35 N O2 Si2 -","- C40 H70 N2 O4 Si4 -","2","1","","Romero, Antonio; Woerpel, K. A.","Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.","Organic letters","2006","8","10","2127","2130","10.1021/ol060596g","","","0.71073","MoKα","","0.0407","0.0328","","","0.0815","0.0892","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505972","8.194","0.002","8.643","0.003","14.789","0.004","75.358","0.005","83.355","0.005","63.325","0.004","905.5","0.5","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N O Si -","- C18 H29 N O Si -","- C36 H58 N2 O2 Si2 -","2","1","","Romero, Antonio; Woerpel, K. A.","Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.","Organic letters","2006","8","10","2127","2130","10.1021/ol060596g","","","0.71073","MoKα","","0.1231","0.1111","","","0.3022","0.3092","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505973","11.126","0.014","12.092","0.009","8.986","0.005","90","","90","","90","","1208.9","1.9","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 5","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","Mo-Kα","","0.0542","0.054","","","0.1276","0.1279","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505974","8.9878","0.0019","11.288","0.004","12.302","0.003","90","","90","","90","","1248.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 7","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71069","Mo-Kα","","0.0174","0.0167","","","0.0416","0.0418","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505975","14.231","0.0004","8.0976","0.0003","15.67","0.0004","90","","116.428","0.0016","90","","1617.05","0.09","293","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","MoKα","","0.0446","0.036","","","0.1012","0.1071","","","","","","1.122","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1505976","11.487","0.004","11.553","","20.483","0.007","90","","90","","90","","2718.3","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 N2 O5 -","- C25 H32 Cl2 N2 O5 -","- C100 H128 Cl8 N8 O20 -","4","1","","Cho, Ji Young; Kwon, Hak Cheol; Williams, Philip G.; Jensen, Paul R.; Fenical, William","Azamerone, a terpenoid phthalazinone from a marine-derived bacterium related to the genus Streptomyces (Actinomycetales).","Organic letters","2006","8","12","2471","2474","10.1021/ol060630r","","","0.71073","MoKα","","0.0703","0.0507","","","0.1199","0.1294","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505977","12.499","0.004","12.818","0.004","24.388","0.008","90","","104.85","","90","","3777","2","173","2","173","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","bisimpyrcuclo4bindingpyridine2aldehyde","","","- C35 H36 Cl2 Cu N6 O12 -","- C35 H36 Cl2 Cu N6 O12 -","- C140 H144 Cl8 Cu4 N24 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0587","0.0473","","","0.1258","0.1364","","","","","","1.03","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1505978","29.974","0.005","7.5925","0.0011","32.831","0.007","90","","115.893","0.002","90","","6722","2","173","2","173","2","","","","","","","synthesized","6","I 1 a 1","I -2ya","9","bisimidazolepyridinecudimer","","","- C70 H73 Cl2 Cu N13 O12 -","- C66 H68.5 Cl2 Cu N12.5 O12 -","- C264 H274 Cl8 Cu4 N50 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0693","0.0578","","","0.1681","0.1762","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505979","9.7166","0.0018","10.7129","0.0019","17.105","0.003","74.833","0.003","81.818","0.003","85.861","0.003","1699.9","0.5","173","2","173","2","","","","","","","synthesized","6","P -1","-P 1","2","Bisimadazole copper perchlorate acetone","","","- C32 H35 Cl2 Cu N5 O11 -","- C32 H35 Cl2 Cu N5 O11 -","- C64 H70 Cl4 Cu2 N10 O22 -","2","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0444","0.0391","","","0.1062","0.1108","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505980","10.84","0.003","33.593","0.009","10.848","0.003","90","","93.378","0.005","90","","3943.4","1.9","173","2","173","2","","","","","","","Synthesized","6","P 1 21/c 1","-P 2ybc","14","BisimidazoleCupperpyridineperchlorate","","","- C37 H42 Cl2 Cu N6 O12 -","- C37 H40 Cl2 Cu N6 O12 -","- C148 H160 Cl8 Cu4 N24 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.1399","0.0529","","","0.1146","0.148","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505981","7.4101","0.0002","10.279","0.0002","10.2887","0.0003","77.3182","0.0016","79.7927","0.0016","81.7076","0.0016","747.91","0.03","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C34 H40 Cl2 N2 O6 -","2","1","","Stanislawski, Pauline C.; Willis, Anthony C.; Banwell, Martin G.","New protocols for the assembly of the tetracyclic framework associated with the aromatic erythrina alkaloids.","Organic letters","2006","8","10","2143","2146","10.1021/ol060642c","","","0.71073","MoKα","","0.0372","0.0302","","0.0411","0.0381","0.0381","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505982","6.9258","0.0008","8.8531","0.0011","17.129","0.002","90","","90","","90","","1050.3","0.2","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0771","0.0593","","","0.1492","0.1699","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505983","8.1823","0.0008","10.251","0.001","12.702","0.0013","91.707","0.002","105.15","0.003","101.572","0.003","1003.66","0.17","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 N O5 S -","- C19 H22 F3 N O5 S -","- C38 H44 F6 N2 O10 S2 -","2","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0783","0.0633","","","0.1845","0.2016","","","","","","1.131","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1505984","18.451","0.003","8.185","0.001","13.7757","0.0017","90","","101.249","0.004","90","","2040.5","0.5","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O -","- C27 H29 N O -","- C108 H116 N4 O4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0346","0.0313","","","0.0708","0.0724","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505985","9.0004","0.0008","6.8284","0.0006","15.7613","0.0014","90","","90","","90","","968.66","0.15","143","1","143","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H13 N -","- C13 H13 N -","- C52 H52 N4 -","4","0.5","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0514","0.0371","","","0.0911","0.1013","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505986","17.006","0.003","9.2753","0.0016","17.1","0.004","90","","105.239","0.005","90","","2602.4","0.9","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","2","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.1253","0.1162","","","0.3065","0.324","","","","","","1.348","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505987","14.2546","0.0014","14.3641","0.0014","17.5605","0.0017","111.433","0.002","98.995","0.002","102.094","0.002","3163.7","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.18 H36.37 Cl0.37 N2 O9 S2 -","- C31.185 H36.37 Cl0.37 N2 O9 S2 -","- C124.74 H145.48 Cl1.48 N8 O36 S8 -","4","2","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.1079","0.0872","","","0.2218","0.2399","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505988","9.5255","0.0003","10.5137","0.0003","16.1411","0.0007","103.771","0.002","99.338","0.002","110.545","0.001","1415.47","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O9 -","- C31 H36 N2 O9 -","- C62 H72 N4 O18 -","2","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0534","0.0398","","","0.1","0.1096","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505989","8.178","0.0003","12.3849","0.0004","25.8621","0.0009","90","","90","","90","","2619.41","0.16","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0479","0.0371","","","0.1043","0.1106","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505990","12.1529","0.001","30.119","0.003","9.3248","0.0008","90","","112.56","","90","","3152","0.5","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl N2 Na Ni O13 -","- C30 H32 Cl N2 Na Ni O13 -","- C120 H128 Cl4 N8 Na4 Ni4 O52 -","4","1","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.0398","0.0338","","","0.0987","0.1035","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505991","36.115","0.002","13.8424","0.0008","30.5377","0.0019","90","","115.058","0.002","90","","13829.5","1.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H75 Cl2 N5 Na2 Ni2 O28 -","- C62 H67 Cl2 N5 Na2 Ni2 O28 -","- C496 H536 Cl16 N40 Na16 Ni16 O224 -","8","1","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1205","0.0885","","","0.2491","0.2715","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505992","18.862","0.003","22.782","0.003","19.734","0.003","90","","92.067","0.003","90","","8474","2","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84.5 H93 Cl3 N3 Ni O24 P2 -","- C84.5 H90 Cl3 N3 Ni O24 P2 -","- C338 H360 Cl12 N12 Ni4 O96 P8 -","4","2","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1934","0.1234","","","0.307","0.3641","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505993","10.5557","0.0009","11.3404","0.001","15.57","0.0013","90","","108.636","0.002","90","","1766.1","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 N O6 S Si -","- C32 H50 N O6 S Si -","- C64 H100 N2 O12 S2 Si2 -","2","1","","García-Fortanet, Jorge; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Stereoselective synthesis of the cytotoxic macrolide FD-891.","Organic letters","2006","8","13","2695","2698","10.1021/ol060669w","","","0.71073","MoKα","","0.1685","0.0599","","","0.1116","0.1421","","","","","","0.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505994","5.1281","0.0009","17.586","0.003","9.3323","0.0016","90","","95.199","0.002","90","","838.2","0.3","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6,13-Bis(methylthio)pentacene","6,13-Bis(methylthio)pentacene","","- C24 H18 S2 -","- C24 H18 S2 -","- C48 H36 S4 -","2","0.5","","Kobayashi, Kenji; Shimaoka, Reishi; Kawahata, Masatoshi; Yamanaka, Masamichi; Yamaguchi, Kentaro","Synthesis and cofacial pi-stacked packing arrangement of 6,13-bis(alkylthio)pentacene.","Organic letters","2006","8","11","2385","2388","10.1021/ol060679x","","","0.71073","MoKα","","0.0578","0.0407","","","0.1047","0.1126","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1505995","10.899","0.001","11.019","0.001","15.357","0.001","90","0.002","92.158","0.002","90","0.002","1843","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-methoxy-3,3-dimethyl-4,8-di(thiophen-2-yl)chroman-2-one","","- C20 H18 O3 S2 -","- C20 H18 O3 S2 -","- C80 H72 O12 S8 -","4","1","","Barluenga, José; Andina, Facundo; Aznar, Fernando","Unprecedented reactivity pattern of chromium fischer carbene complexes. Direct application to one-pot synthesis of 4-aryl-3,4-dihydrocoumarins on a multigram scale.","Organic letters","2006","8","13","2703","2706","10.1021/ol060702e","","","0.71073","MoKα","","0.1251","0.0791","","","0.2498","0.2904","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505996","7.4658","0.0018","7.624","0.002","12.073","0.003","99.855","0.01","97.556","0.01","96.977","0.009","663.8","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H15 N O2 S3 -","- C12 H15 N O2 S3 -","- C24 H30 N2 O4 S6 -","2","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.1288","0.0628","","","0.1439","0.1683","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505997","7.3439","0.0005","7.4671","0.0005","12.4818","0.0008","90.986","0.005","103.213","0.005","111.187","0.005","617.54","0.08","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C11 H12 N2 S3 -","- C11 H12 N2 S3 -","- C22 H24 N4 S6 -","2","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.0674","0.0369","","","0.0872","0.1012","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505998","9.9722","0.0003","15.9458","0.0005","11.1555","0.0004","90","","115.648","0.001","90","","1599.11","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O5 S3 -","- C13 H15 N O5 S3 -","- C52 H60 N4 O20 S12 -","4","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.0347","0.031","","","0.0863","0.0885","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505999","31.7102","0.0011","31.7102","0.0011","9.791","0.0008","90","","90","","120","","8526.2","0.8","100","1","100","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H38 N2 O10 -","- C40 H36 N2 O10 -","- C360 H324 N18 O90 -","9","0.5","","Lavin, Judith M.; Shimizu, Ken D.","Rapid screening of a receptor with molecular memory.","Organic letters","2006","8","11","2389","2392","10.1021/ol060706j","","","0.71073","MoKα","","0.0931","0.0522","","","0.084","0.0933","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506000","11.551","0.003","17.594","0.004","13.979","0.003","90","","99.739","0.003","90","","2800","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N3 O -","- C36 H31 N3 O -","- C144 H124 N12 O4 -","4","1","","Fritz, Jonathan A.; Nakhla, Josephine S.; Wolfe, John P.","A new synthesis of imidazolidin-2-ones via Pd-catalyzed carboamination of N-allylureas.","Organic letters","2006","8","12","2531","2534","10.1021/ol060707b","","","0.71073","MoKα","","0.0703","0.0414","","","0.0932","0.1037","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506001","11.504","0.002","15.323","0.003","18.698","0.004","90","","98.95","0.03","90","","3255.9","1.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 O6 -","- C42 H27 N3 O6 -","- C168 H108 N12 O24 -","4","1","","Zhang, Xin-Ran; Chao, Wei; Chuai, Yu-Tao; Ma, Yan; Hao, Rui; Zou, De-Chun; Wei, Yong-Ge; Wang, Yuan","A new N-type organic semiconductor synthesized by knoevenagel condensation of truxenone and ethyl cyanoacetate.","Organic letters","2006","8","12","2563","2566","10.1021/ol060756o","","","0.71073","MoKα","","0.1297","0.0473","","","0.1019","0.1192","","","","","","0.883","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506002","9.442","0.0019","14.643","0.003","23.704","0.005","90","","93.98","0.03","90","","3269.4","1.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 O6 -","- C42.004 H27 N3 O6 -","- C168.016 H108 N12 O24 -","4","1","","Zhang, Xin-Ran; Chao, Wei; Chuai, Yu-Tao; Ma, Yan; Hao, Rui; Zou, De-Chun; Wei, Yong-Ge; Wang, Yuan","A new N-type organic semiconductor synthesized by knoevenagel condensation of truxenone and ethyl cyanoacetate.","Organic letters","2006","8","12","2563","2566","10.1021/ol060756o","","","0.71073","MoKα","","0.2092","0.0592","","","0.0884","0.1152","","","","","","0.865","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506003","31.35","0.002","19.1542","0.0015","11.9956","0.0009","90","","97.422","0.003","90","","7142.8","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","hexa-p-tertbutyl-5,5'-bi-calix[4]arene","","","- C82 H98 Cl4 O8 -","- C82 H98 Cl4 O8 -","- C328 H392 Cl16 O32 -","4","0.5","","Iglesias-Sánchez, José Carlos; Fragoso, Alex; de Mendoza, Javier; Prados, Pilar","Aryl-aryl linked bi-5,5'-p-tert-butylcalix[4]arene tweezer for fullerene complexation.","Organic letters","2006","8","12","2571","2574","10.1021/ol0607591","","","1.54178","CuKα","","0.1685","0.0795","","","0.2016","0.2518","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506004","11.27","0.003","12.232","0.002","14.711","0.004","79.995","0.014","85.859","0.019","69.207","0.017","1866.9","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H30 B Cl2 F4 Li N4 -","- C45 H30 B Cl2 F4 Li N4 -","- C90 H60 B2 Cl4 F8 Li2 N8 -","2","1","","Cissell, Julie A.; Vaid, Thomas P.; Yap, Glenn P. A.","The doubly oxidized, antiaromatic tetraphenylporphyrin complex [Li(TPP)][BF4].","Organic letters","2006","8","11","2401","2404","10.1021/ol060772l","","","0.71073","MoKα","","0.0571","0.0451","","","0.0973","0.1075","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506005","8.804","0.002","11.544","0.003","20.381","0.011","90","","90","","90","","2071.4","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br F3 N O P -","- C21 H18 Br F3 N O P -","- C84 H72 Br4 F12 N4 O4 P4 -","4","1","","Lauzon, Caroline; Charette, André B","Catalytic asymmetric synthesis of alpha,alpha,alpha-trifluoromethylamines by the copper-catalyzed nucleophilic addition of diorganozinc reagents to imines.","Organic letters","2006","8","13","2743","2745","10.1021/ol0607847","","","1.54178","CuKα","","0.0749","0.0298","","","0.0379","0.0473","","","","","","0.501","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506006","9.775","0.0011","11.6681","0.0017","16.514","0.003","76.168","0.01","83.721","0.01","74.411","0.01","1759.6","0.5","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 Cl F -","- C20 H26 Cl F -","- C80 H104 Cl4 F4 -","4","2","","Xu, Jianjun; Wang, Yi; Burton, Donald J.","Site-specific preparation of 3-fluoro-1-substituted-naphthalenes via a novel base-catalyzed cyclization reaction from (E)-monofluoroenynes.","Organic letters","2006","8","12","2555","2558","10.1021/ol060785z","","","0.71073","MoKα","","0.1141","0.0542","","","0.0947","0.113","","","","","","1.112","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506007","7.046","0.004","15.999","0.01","26.916","0.016","90","","90","","90","","3034","3","213","2","213","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H22 N4 O3 -","- C14 H22 N4 O3 -","- C112 H176 N32 O24 -","8","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1536","0.1479","","","0.3331","0.3383","","","","","","1.163","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506008","6.0458","0.0013","19.101","0.004","12.283","0.002","90","","104.201","0.004","90","","1375.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O2 -","- C14 H20 N4 O2 -","- C56 H80 N16 O8 -","4","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1567","0.0573","","","0.1363","0.1667","","","","","","0.772","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506009","9.1721","0.0007","9.4004","0.0007","10.7902","0.0008","102.07","0.001","115.017","0.001","92.109","0.001","816.15","0.11","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","1","0.5","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.059","0.0489","","","0.1322","0.1443","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506010","10.2709","0.0006","10.8236","0.0006","11.1705","0.0007","65.76","0.001","88.031","0.001","78.345","0.001","1107.33","0.11","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","1","0.5","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.0511","0.0425","","","0.1127","0.1157","","","","","","1.167","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506011","10.181","0.004","11.863","0.004","14.548","0.005","95.352","0.007","107.107","0.006","106.137","0.006","1583.6","1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 B F3 N4 O S -","- C32 H44 B F3 N4 O S -","- C64 H88 B2 F6 N8 O2 S2 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0764","0.0595","","","0.1322","0.1399","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506012","8.481","0.003","11.804","0.004","12.288","0.005","99.518","0.007","106.156","0.006","94.747","0.009","1154.5","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 B F3 N O -","- C26 H27 B F3 N O -","- C52 H54 B2 F6 N2 O2 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0775","0.0641","","","0.1288","0.1346","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506013","10.108","0.002","11.843","0.002","12.309","0.003","96.43","0.003","91.237","0.004","111.589","0.003","1358.4","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B F3 N2 O2 -","- C29 H34 B F3 N2 O2 -","- C58 H68 B2 F6 N4 O4 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0901","0.07","","","0.1658","0.1746","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506014","15.6963","0.001","10.9386","0.0007","22.5637","0.0014","90","","90.842","0.001","90","","3873.7","0.4","171","2","171","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 11e","5,17,25,27-tetraaza-11,23-dimethyl-2,8,14,20-tetraoxacalix[4]arene","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C176 H128 N32 O32 -","8","1","","Katz, Jeffrey L.; Geller, Bram J.; Conry, Rebecca R.","Synthesis of oxacalixarenes incorporating nitrogen heterocycles: evidence for thermodynamic control.","Organic letters","2006","8","13","2755","2758","10.1021/ol060823e","","","0.71073","MoKα","","0.0555","0.0461","","","0.1307","0.1373","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506015","10.455","0.002","17.755","0.004","22.107","0.004","90","","90","","90","","4103.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H46 N6 O4 Zn -","- C48.7 H44 N6 O4 Zn -","- C194.8 H176 N24 O16 Zn4 -","4","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0591","0.0554","","","0.1374","0.1397","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506016","10.9538","0.0011","13.767","0.0013","14.2985","0.0014","85.063","0.002","69.181","0.001","79.617","0.001","1981.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N4 O4 Zn -","- C50 H42 N4 O4 Zn -","- C100 H84 N8 O8 Zn2 -","2","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0346","0.0315","","","0.0815","0.0832","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506017","4.928","0.002","16.368","0.006","10.973","0.004","90","","93.41","0.03","90","","883.5","0.6","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","2S,3Z,8R-7-Oxo-deepoxysarcophytoxide","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.038","","","","0.056","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506018","10.863","0.004","8.753","0.003","14.46","0.005","90","","105.59","0.03","90","","1324.3","0.8","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid 1-isopropyl-4,7,11-trimethyl- 5,6,7,8,9,10-hexahydro-benzocyclodecen-8-yl ester","","","- C30 H37 F3 O3 -","- C30 H37 F3 O3 -","- C60 H74 F6 O6 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.032","","","","0.043","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506019","9.697","0.002","11.333","0.003","31.449","0.009","90","","90","","90","","3456.1","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20.001 H28 O3 -","- C160.008 H224 O24 -","8","2","","Pan, Li; Zhou, Ping; Zhang, Xiaofeng; Peng, Shulin; Ding, Lisheng; Qiu, Samuel X.","Skeleton-rearranged pentacyclic diterpenoids possessing a cyclobutane ring from Euphorbia wallichii.","Organic letters","2006","8","13","2775","2778","10.1021/ol0608552","","","0.71073","MoKα","","0.0983","0.0498","","","0.0981","0.1099","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506020","9.7039","0.0006","10.3408","0.0007","11.1503","0.0007","66.837","0.001","76.731","0.001","76.498","0.001","988.33","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O3 -","- C28 H20 O3 -","- C56 H40 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0481","0.0432","","","0.1117","0.1156","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506021","9.8486","0.0007","10.909","0.0008","12.3327","0.0009","98.399","0.001","94.286","0.001","94.743","0.001","1301.23","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O3 -","- C37 H26 O3 -","- C74 H52 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0554","0.0466","","","0.1186","0.1252","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506022","9.5126","0.0006","9.8661","0.0014","14.6056","0.0012","82.553","0.005","83.598","0.002","78.989","0.007","1328.9","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Br2 O3 -","- C33 H22 Br2 O3 -","- C66 H44 Br4 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0528","0.041","","","0.1022","0.1074","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506023","9.6793","0.0006","10.6282","0.0006","14.0039","0.0008","84.102","0.001","87.997","0.001","76.156","0.001","1391.3","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 Br2 O3 -","- C37 H24 Br2 O3 -","- C74 H48 Br4 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0291","0.0261","","","0.0711","0.0727","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506024","34.6386","0.0016","10.9975","0.0007","18.8602","0.0009","90","","98.613","0.001","90","","7103.5","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H28 Br3 O6 -","- C44 H28 Br3 O6 -","- C352 H224 Br24 O48 -","8","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0843","0.048","","","0.1083","0.1201","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506025","10.699","0.002","16.752","0.003","9.5269","0.0018","90","","90","","90","","1707.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","","Xie, Ling-Hai; Liu, Feng; Tang, Chao; Hou, Xiao-Ya; Hua, Yu-Ran; Fan, Qu-Li; Huang, Wei","Unexpected one-pot method to synthesize spiro[fluorene-9,9'-xanthene] building blocks for blue-light-emitting materials.","Organic letters","2006","8","13","2787","2790","10.1021/ol060871z","","","0.71073","MoKα","","0.0402","0.0338","","","0.0882","0.0923","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506026","9.0868","0.0016","9.7252","0.0018","9.844","0.0017","90","","107.272","0.013","90","","830.7","0.3","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H19 Cl N2 S -","- C17 H19 Cl N2 S -","- C34 H38 Cl2 N4 S2 -","2","1","","Zhu, Yulin; Huang, Shenlin; Wan, Jieping; Yan, Lei; Pan, Yuanjiang; Wu, Anxin","Two novel diastereoselective three-component reactions of alkenes or 3,4-dihydro-(2H)-pyran with urea/thiourea-aldehyde mixtures: [4 + 2] cycloaddition vs Biginelli-type reaction.","Organic letters","2006","8","12","2599","2602","10.1021/ol060874b","","","0.71073","MoKα","","0.0324","0.028","","","0.0669","0.0682","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506027","8.046","0.0014","14.953","0.003","16.805","0.003","80.884","0.008","76.657","0.008","75.271","0.008","1891.9","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H33 Cl3 -","- C50 H33 Cl3 -","- C100 H66 Cl6 -","2","1","","Karlen, Steven D.; Godinez, Carlos E.; Garcia-Garibay, Miguel A","Improved physical properties and rotational dynamics in a molecular gyroscope with an asymmetric stator structure.","Organic letters","2006","8","16","3417","3420","10.1021/ol060894d","","","0.71073","MoKα","","0.1106","0.0529","","","0.1088","0.1291","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506028","9.9053","0.0002","13.1534","0.0003","17.1989","0.0004","90","","90","","90","","2240.82","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0284","0.028","","","0.0727","0.073","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506029","9.051","0.003","8.794","0.002","25.949","0.009","90","","90.87","0.03","90","","2065.2","1.1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C20 H27 I N2 O2 -","- C20 H27 I N2 O2 -","- C80 H108 I4 N8 O8 -","4","2","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0677","0.059","","","0.137","0.1419","","","","","","0.991","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506030","8.314","0.002","20.024","0.001","10.969","0.001","90","","102.5","0.01","90","","1782.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","1.5418","CuKα","","0.0667","0.0441","","","0.1163","0.1274","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506031","7.996","0.005","17.12","0.009","12.331","0.007","90","","105.079","0.002","90","","1629.9","1.6","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","0.7107","MoKα","","0.0627","0.0599","","","0.1584","0.1598","","","","","","1.135","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506032","10.7767","0.0007","11.674","0.0007","20.8192","0.0013","80.392","0.004","86.826","0.004","76.503","0.003","2510.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","hexyl bromo calixarene, acetonitrile","","- C54 H63 Br4 N O8 -","- C54 H63 Br4 N O8 -","- C108 H126 Br8 N2 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0424","0.033","","","0.0823","0.0877","","","","","","1.097","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506033","10.4432","0.0015","15.049","0.002","16.32","0.002","90","","97.977","0.003","90","","2540","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexyl bromo calixarene, dichloromethane","","- C53 H62 Br4 Cl2 O8 -","- C53 H62 Br4 Cl2 O8 -","- C106 H124 Br8 Cl4 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.1046","0.0447","","","0.0596","0.0674","","","","","","0.735","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506034","18.3708","0.0007","18.3708","0.0007","19.8745","0.0015","90","","90","","90","","6707.4","0.6","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","NS 1 pentyl calixarene + acetonitrile","","- C78 H85 N7 O8 -","- C78 H85 N7 O8 -","- C312 H340 N28 O32 -","4","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0744","0.0514","","","0.1234","0.1353","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506035","23.356","0.0016","22.1519","0.0016","25.5165","0.0016","90","","94.302","0.004","90","","13164.5","1.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","NS 14 pentyl calixarene (+ octanedioic acid)","","- C75.5 H90 N4 O11.5 -","- C75.5 H90 N4 O11.5 -","- C604 H720 N32 O92 -","8","2","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.2531","0.0929","","","0.2051","0.268","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506036","8.5273","0.0007","12.8564","0.001","20.441","0.0016","90","","90","","90","","2241","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06013","","","- C23 H27 N O8 -","- C23 H27 N O8 -","- C92 H108 N4 O32 -","4","1","","Sydorenko, Nadiya; Hsung, Richard P.; Vera, Eymi L.","Torquoselective 6pi-electron electrocyclic ring closure of 1-azatrienes containing acyclic chirality at the C-terminus.","Organic letters","2006","8","12","2611","2614","10.1021/ol060932t","","","0.71073","MoKα","","0.0377","0.0288","","","0.0646","0.07","","","","","","1.038","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506037","10.458","0.0003","17.824","0.0005","21.122","0.0007","90","","90","","90","","3937.2","0.2","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37.4 H45.85 Cl2.95 N2 O7 -","- C37.4 H45.85 Cl2.95 N2 O7 -","- C149.6 H183.4 Cl11.8 N8 O28 -","4","1","","McCubbin, J. Adam; Maddess, Matthew L.; Lautens, Mark","Total synthesis of cryptophycin analogues via a scaffold approach.","Organic letters","2006","8","14","2993","2996","10.1021/ol0609356","","","0.71073","MoKα","","0.1032","0.0479","","","0.0953","0.1167","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506038","37.51","0.03","9.04","0.02","11.09","0.02","90","","103.8","0.2","90","","3652","11","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C160 H192 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.1094","","","","0.2667","","","","","","1.856","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506039","9.238","0.002","13.245","0.002","13.418","0.002","90","","93.79","0.01","90","","1638.2","0.5","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.053","","","","0.1336","","","","","","1.198","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506040","16.779","0.003","23.256","0.003","8.243","0.003","90","","90","","90","","3216.5","1.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0562","","","","0.1497","","","","","","1.243","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506041","27.767","0.003","6.363","0.003","18.784","0.003","90","","119.888","0.007","90","","2877.4","1.5","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0545","","","","0.1525","","","","","","1.199","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506042","8.7871","0.0003","12.6298","0.0004","13.6796","0.0005","90","","96.098","0.001","90","","1509.56","0.09","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0684","","","","0.1607","","","","","","2.354","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506043","10.75","0.002","10.912","0.002","17.685","0.004","91.03","0.03","104.31","0.03","107.76","0.03","1904.5","0.8","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H39 F8 N6 O4 -","- C40.04 H35 F8 N6 O4 -","- C80.08 H70 F16 N12 O8 -","2","1","","Samaroo, Diana; Soll, Clifford E.; Todaro, Louis J.; Drain, Charles M.","Efficient microwave-assisted synthesis of amine-substituted tetrakis(pentafluorophenyl)porphyrin.","Organic letters","2006","8","22","4985","4988","10.1021/ol060946z","","","0.71073","MoKα","","0.1233","0.068","","","0.1305","0.1524","","","","","","1.026","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506044","8.6243","0.0011","12.1688","0.0016","20.438","0.003","90","","100.164","0.003","90","","2111.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen","Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.","Organic letters","2006","8","14","3033","3035","10.1021/ol060958k","","","0.71073","MoKα","","0.0584","0.0411","","","0.1166","0.129","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506045","19.552","0.002","7.7459","0.0008","13.2549","0.0014","90","","97.737","0.002","90","","1989.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen","Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.","Organic letters","2006","8","14","3033","3035","10.1021/ol060958k","","","0.71073","MoKα","","0.0753","0.0509","","","0.1471","0.1678","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506046","8.0128","0.0008","17.9993","0.0019","14.4781","0.0015","90","","100.899","0.002","90","","2050.4","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C80 H128 O12 Si4 -","4","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0744","0.0593","","","0.1613","0.1733","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506047","10.2128","0.001","14.5819","0.0014","26.706","0.003","90","","90","","90","","3977.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C160 H256 O24 Si8 -","8","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0667","0.0564","","","0.1571","0.1683","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506048","13.2975","0.0011","6.2587","0.0004","23.837","0.002","90","","104.319","0.002","90","","1922.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C80 H128 O12 Si4 -","4","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.7107","MoKα","","0.0799","0.0729","","","0.1987","0.2068","","","","","","1.118","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506049","7.9917","0.0013","10.5745","0.0018","23.462","0.004","90","","90","","90","","1982.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H11 Br I N O -","- C7 H11 Br I0.75 N O -","- C56 H88 Br8 I6 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0943","0.0738","","","0.1971","0.2084","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506050","8.0936","0.0006","10.7502","0.0008","23.5836","0.0017","90","","90","","90","","2052","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H11 I2 N O -","- C7 H11 I2 N O -","- C56 H88 I16 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0643","0.0565","","","0.1377","0.1424","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506051","5.763","0.0002","17.0035","0.0008","25.3668","0.0011","90","","90","","90","","2485.72","0.18","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I N2 O5 -","- C26 H27 I N2 O5 -","- C104 H108 I4 N8 O20 -","4","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.0661","0.0354","","","0.0565","0.0627","","","","","","1.005","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506052","11.6497","0.0011","5.8377","0.0006","13.4469","0.0014","90","","100.394","0.005","90","","899.48","0.16","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H25 I N2 O5 -","- C16 H25 I N2 O5 -","- C32 H50 I2 N4 O10 -","2","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.1059","0.0998","","","0.2443","0.2546","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506053","6.5081","0.0013","11.812","0.002","27.375","0.006","90","","90","","90","","2104.4","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O -","- C24 H40 N2 O -","- C96 H160 N8 O4 -","4","1","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.1109","0.0974","","","0.2399","0.2486","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506054","13.85","0.004","6.406","0.002","13.724","0.004","90","","120.28","0.003","90","","1051.5","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H38 N2 O -","- C23 H38 N2 O -","- C46 H76 N4 O2 -","2","0.5","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.0451","0.042","","","0.1098","0.1123","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506055","18.5273","0.0007","10.3442","0.0005","21.1903","0.001","90","","105.931","0.004","90","","3905.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 O P2 Pt -","- C48 H50 O P2 Pt -","- C192 H200 O4 P8 Pt4 -","4","1","","Theophanous, Fanitsa A.; Tasiopoulos, Anastasios J.; Nicolaides, Athanassios; Zhou, Xin; Johnson, William T. G.; Borden, Weston Thatcher","Evidence for the formation of the (Ph3P)2Pt complex of 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)-ene, the most highly pyramidalized alkene in a homologous series. Isolation and X-ray structure of the product of the ethanol addition to the complex.","Organic letters","2006","8","14","3001","3004","10.1021/ol060994j","","","0.71073","MoKα","","0.0275","0.0194","","","0.0438","0.0449","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506056","12.005","0.001","18.675","0.001","10.778","0.001","90","","90","","90","","2416.4","0.3","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C96 H148 N4 O12 -","4","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0724","0.0528","","","0.1182","0.1352","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506057","9.914","0.001","14.093","0.001","38.171","0.001","90","","90","","90","","5333.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br N O3 -","- C27 H34 Br N O3 -","- C216 H272 Br8 N8 O24 -","8","2","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0512","0.0478","","","0.1277","0.1315","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506058","11.065","0.001","13.713","0.001","11.397","0.001","90","","103.09","0.01","90","","1684.4","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O2 Sn -","- C37 H41 N O2 Sn -","- C74 H82 N2 O4 Sn2 -","2","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","0.71073","MoKα","","0.0258","0.0236","","","0.0544","0.0557","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506059","11.1254","0.0006","11.9304","0.0009","17.898","0.0011","82.322","0.005","82.065","0.004","77.051","0.005","2280","0.3","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl N3 P Pd -","- C24 H23 Cl N3 P Pd -","- C96 H92 Cl4 N12 P4 Pd4 -","4","2","","Detz, Remko J.; Heras, Silvia Arévalo; de Gelder, R.; van Leeuwen, Piet W. N. M.; Hiemstra, Henk; Reek, Joost N. H.; van Maarseveen, Jan H.","""Clickphine"": a novel and highly versatile P,N ligand class via click chemistry.","Organic letters","2006","8","15","3227","3230","10.1021/ol061015q","","","0.71073","MoKα","","0.0498","0.0327","","0.0616","0.0565","0.0616","","","1.095","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506060","8.6041","0.0004","8.753","0.0004","11.3766","0.0005","90","","91.616","0.003","90","","856.45","0.07","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","1.54178","CuKα","","0.0414","0.0413","","","0.099","0.0992","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506061","9.76","0.0006","5.6869","0.0004","20.27","0.0013","90","","100.459","0.003","90","","1106.38","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O9 -","- C20 H31 N O9 -","- C40 H62 N2 O18 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","0.71073","MoKα","","0.0524","0.0439","","","0.1102","0.1165","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506062","13.965","0.003","11.125","0.002","10.379","0.002","90","","93.433","0.003","90","","1609.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F6 N4 O6 S2 -","- C30 H32 F6 N4 O6 S2 -","- C60 H64 F12 N8 O12 S4 -","2","0.5","","Vella, Sarah J.; Tiburcio, Jorge; Gauld, James W.; Loeb, Stephen J.","Push-pull [2]pseudorotaxanes. Electronic control of threading by switching ON/OFF an intramolecular charge transfer.","Organic letters","2006","8","16","3421","3424","10.1021/ol0610338","","","0.71073","MoKα","","0.0574","0.0527","","","0.1454","0.1501","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506063","16.398","0.004","19.247","0.005","7.534","0.002","90","","103.169","0.004","90","","2315.3","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 F12 N6 O12 S4 -","- C36 H40 F12 N6 O12 S4 -","- C72 H80 F24 N12 O24 S8 -","2","0.5","","Vella, Sarah J.; Tiburcio, Jorge; Gauld, James W.; Loeb, Stephen J.","Push-pull [2]pseudorotaxanes. Electronic control of threading by switching ON/OFF an intramolecular charge transfer.","Organic letters","2006","8","16","3421","3424","10.1021/ol0610338","","","0.71073","MoKα","","0.0922","0.0659","","","0.1824","0.1943","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506064","24.254","0.005","6.6426","0.0012","17.061","0.003","90","","125.009","0.008","90","","2251.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C23.5 H31 Cl N2 O1.5 -","- C23.5 H31 Cl N2 O1.5 -","- C94 H124 Cl4 N8 O6 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.1464","0.0934","","","0.2344","0.2786","","","","","","1.06","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506065","5.3977","0.0006","12.8158","0.0013","24.189","0.003","90","","90","","90","","1673.3","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl N2 O -","- C17 H25 Cl N2 O -","- C68 H100 Cl4 N8 O4 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.0741","0.0429","","","0.0915","0.1067","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506066","25.699","0.005","9.435","0.0019","15.604","0.003","90","","98.96","0.03","90","","3737.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 F3 N3 O3 -","- C18 H14 F3 N3 O3 -","- C144 H112 F24 N24 O24 -","8","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.0883","0.0404","","","0.0804","0.0873","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506067","13.072","0.003","7.8287","0.0016","15.19","0.003","90","","97.86","0.03","90","","1539.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F3 N3 O3 -","- C14 H14 F3 N3 O3 -","- C56 H56 F12 N12 O12 -","4","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.068","0.0416","","","0.1012","0.108","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506068","11.279","0.002","13.083","0.003","13.556","0.003","101.72","0.03","108.92","0.03","106.31","0.03","1718.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F3 N O3 -","- C18 H14 F3 N O3 -","- C72 H56 F12 N4 O12 -","4","2","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.1318","0.0559","","","0.1296","0.1475","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506069","10.701","0.002","9.1912","0.0018","17.628","0.004","90","","90.69","0.03","90","","1733.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F3 N O3 -","- C18 H14 F3 N O3 -","- C72 H56 F12 N4 O12 -","4","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.0989","0.0379","","","0.0745","0.0838","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506070","5.7583","0.001","8.5763","0.0015","30.482","0.006","90","","90.316","0.004","90","","1505.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Liu, Yuanhong; Liu, Meina; Guo, Shenghai; Tu, Huamin; Zhou, Yebing; Gao, Hongjun","Gold-catalyzed highly efficient access to 3(2H)-furanones from 2-oxo-3-butynoates and related compounds.","Organic letters","2006","8","16","3445","3448","10.1021/ol061059z","","","0.71073","MoKα","","0.1379","0.0457","","","0.0583","0.0734","","","","","","0.76","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506071","10.6655","0.0004","9.6467","0.0004","17.6175","0.0007","90","","91.198","0.001","90","","1812.21","0.12","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O7 -","- C19 H23 N O7 -","- C76 H92 N4 O28 -","4","1","","Shukla, Krupa H.; Boehmler, Debra J.; Bogacyzk, Suzanne; Duvall, Bridget R.; Peterson, William A.; McElroy, William T.; Deshong, Philip","Application of palladium-catalyzed allylic arylation to the synthesis of a (+/-)-7-deoxypancratistatin analogue.","Organic letters","2006","8","19","4183","4186","10.1021/ol061070z","","","0.71073","MoKα","","0.0445","0.0332","","","0.0883","0.0963","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506072","5.424","0.002","7.937","0.003","11.566","0.005","90","","90.737","0.005","90","","497.9","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C18 H30 N2 O6 -","2","1","","Moriarty, Robert M.; Mitan, Carmen I.; Branza-Nichita, Norica; Phares, Kenneth R.; Parrish, Damon","exo-Imino to endo-iminocyclitol rearrangement. A general route to five-membered antiviral azasugars.","Organic letters","2006","8","16","3465","3467","10.1021/ol061071r","","","0.71073","MoKα","","0.1003","0.0844","","","0.2137","0.231","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506073","10.921","0.007","11.884","0.006","23.835","0.015","90","","102.14","0.02","90","","3024","3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H42 O6 S -","- C32 H42 O6 S -","- C128 H168 O24 S4 -","4","2","","Hutchison, John M.; Lindsay, Harriet A.; Dormi, Silvana S.; Jones, Gavin D.; Vicic, David A.; McIntosh, Matthias C.","Approach to the synthesis of cladiell-11-ene-3,6,7-triol.","Organic letters","2006","8","17","3663","3665","10.1021/ol061072j","","","0.7107","MoKα","","0.1651","0.1436","","","0.3995","0.4212","","","","","","1.408","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506074","7.7457","0.0006","8.3807","0.0006","15.1631","0.0012","85.166","0.002","89.549","0.002","74.976","0.001","947.18","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Wang, Chao; Tunge, Jon A.","Decarboxylative ring contractions and olefin insertions of vinyl oxazinanones.","Organic letters","2006","8","15","3211","3214","10.1021/ol0610744","","","0.71073","MoKα","","0.0584","0.0459","","","0.1193","0.1257","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506075","12.7805","0.0007","14.9966","0.0009","13.5072","0.0008","90","","114.749","0.001","90","","2351.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O2 S -","- C28 H25 N3 O2 S -","- C112 H100 N12 O8 S4 -","4","1","","Wang, Chao; Tunge, Jon A.","Decarboxylative ring contractions and olefin insertions of vinyl oxazinanones.","Organic letters","2006","8","15","3211","3214","10.1021/ol0610744","","","0.71073","MoKα","","0.0857","0.0491","","","0.0829","0.0907","","","","","","0.852","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506076","18.5086","0.0004","28.6914","0.0006","22.5474","0.0005","90","","110.452","0.001","90","","11218.8","0.4","120","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 N2 O17 -","- C58 H72 N2 O17 -","- C464 H576 N16 O136 -","8","2","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71073","MoKα","","0.1528","0.0795","","","0.1749","0.2292","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506077","6.3417","0.0001","20.5313","0.0003","9.4744","0.0002","90","","96.329","0.001","90","","1226.08","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71069","MoKα","","0.0683","0.0493","","","0.1584","0.1903","","","","","","1.1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506078","12.2013","0.0002","12.9722","0.0002","14.3899","0.0003","90.857","0.001","92.236","0.001","116.566","0.001","2034.24","0.06","100","1","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H35 Ag2 Cl3 F6 N2 O16 S2 -","- C29 H35 Ag2 Cl3 F6 N2 O16 S2 -","- C58 H70 Ag4 Cl6 F12 N4 O32 S4 -","2","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71073","MoKα","","0.0282","0.0258","","","0.0698","0.0726","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506079","8.8645","0.0002","24.7243","0.0008","11.4315","0.0003","90","","107.699","0.0017","90","","2386.84","0.12","150","2","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl2 N O2 -","- C28 H25 Cl2 N O2 -","- C112 H100 Cl8 N4 O8 -","4","1","","Brunner, Bernhard; Stogaitis, Nicole; Lautens, Mark","Synthesis of 1,2-dihydropyridines using vinyloxiranes as masked dienolates in imino-aldol reactions.","Organic letters","2006","8","16","3473","3476","10.1021/ol061086p","","","0.71073","MoKα","","0.0837","0.0485","","","0.1215","0.142","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506080","9.1635","0.0003","18.2658","0.0009","13.7298","0.0006","90","","100.675","0.002","90","","2258.3","0.17","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F N O2 -","- C28 H26 F N O2 -","- C112 H104 F4 N4 O8 -","4","1","","Brunner, Bernhard; Stogaitis, Nicole; Lautens, Mark","Synthesis of 1,2-dihydropyridines using vinyloxiranes as masked dienolates in imino-aldol reactions.","Organic letters","2006","8","16","3473","3476","10.1021/ol061086p","","","0.71073","MoKα","","0.0985","0.0517","","","0.1258","0.1523","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506081","17.5451","0.0012","16.2722","0.0011","7.3076","0.0005","90","","90","","90","","2086.3","0.2","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","","","Persson, Tobias; Nielsen, John","Synthesis of N-methoxy-N-methyl-beta-enaminoketoesters: new synthetic precursors for the regioselective synthesis of heterocyclic compounds.","Organic letters","2006","8","15","3219","3222","10.1021/ol0611088","","","0.71073","MoKα","","0.0423","0.04","","","0.095","0.0964","","","","","","1.104","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506082","22.425","0.002","12.731","0.0011","13.8126","0.0013","90","","105.313","0.008","90","","3803.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 S2 Si -","- C15 H28 O2 S2 Si -","- C120 H224 O16 S16 Si8 -","8","2","","Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.","Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.","Organic letters","2006","8","18","3891","3894","10.1021/ol0611090","","","1.54248","CuKα","","0.0953","0.0587","","","0.1533","0.1777","","","","","","1.104","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506083","10.921","0.003","6.2036","0.0017","11.144","0.003","90","","96.59","0.02","90","","750","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","","Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.","Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.","Organic letters","2006","8","18","3891","3894","10.1021/ol0611090","","","1.54248","CuKα","","0.0982","0.0523","","","0.1365","0.1666","","","","","","1.01","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506084","25.555","0.003","7.2399","0.0009","15.3012","0.0018","90","","122.954","0.002","90","","2375.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 N2 O5 S -","- C25 H34 N2 O5 S -","- C100 H136 N8 O20 S4 -","4","1","","Garner, Philip; Kaniskan, H. Umit; Hu, Jieyu; Youngs, Wiley J.; Panzner, Matthew","Asymmetric multicomponent [C+NC+CC] synthesis of highly functionalized pyrrolidines catalyzed by silver(I).","Organic letters","2006","8","17","3647","3650","10.1021/ol061113b","","","0.71073","MoKα","","0.0514","0.0457","","","0.1105","0.1133","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506085","9.608","0.005","9.883","0.005","10.123","0.004","82.041","0.019","80.51","0.019","75.84","0.02","914.4","0.8","296","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Ma, Cheng; Ding, Hanfeng; Wang, Yanguang","Novel annulation reactions of aryl methyl ketenes with zwitterions derived from dimethyl acetylenedicarboxylate and N-alkylimidazoles.","Organic letters","2006","8","14","3133","3136","10.1021/ol061126p","","","0.71075","MoKα","","","0.0442","","","","0.1311","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506086","7.2133","0.0014","7.3959","0.0014","20.115","0.004","83.451","0.012","83.335","0.013","71.708","0.011","1008.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Fe N2 O6 -","- C19 H18 Fe N2 O6 -","- C38 H36 Fe2 N4 O12 -","2","1","","Williams, Iwan; Kariuki, Benson M.; Reeves, Keith; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta4-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton.","Organic letters","2006","8","20","4389","4392","10.1021/ol061132l","","","1.54178","CuKα","","0.2017","0.1244","","","0.25","0.2864","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506087","7.3427","0.0002","10.3573","0.0002","12.6116","0.0003","69.111","0.001","86.301","0.001","87.873","0.001","894.11","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br Fe N O3 -","- C16 H20 Br Fe N O3 -","- C32 H40 Br2 Fe2 N2 O6 -","2","1","","Williams, Iwan; Kariuki, Benson M.; Reeves, Keith; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta4-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton.","Organic letters","2006","8","20","4389","4392","10.1021/ol061132l","","","1.54178","CuKα","","0.0716","0.0608","","","0.179","0.1929","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506088","8.735","0.0009","9.2712","0.001","8.869","0.0009","90","","91.718","0.002","90","","717.92","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-2H-[1,2,3]triazole-4-carbonitrile","","- C7 H4 N4 O -","- C7 H4 N4 O -","- C28 H16 N16 O4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0534","0.049","","","0.1401","0.1444","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506089","8.7912","0.0013","9.3385","0.0014","9.2179","0.0014","90","","92.242","0.003","90","","756.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Thiophen-2-yl)-2H-1,2,3-triazole-4-carbonitrile","","- C7 H4 N4 S -","- C7 H4 N4 S -","- C28 H16 N16 S4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0564","0.0469","","","0.1149","0.1201","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506090","7.3028","0.0007","15.7135","0.0015","15.8041","0.0015","90","","97.973","0.002","90","","1796","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C20 H20 N2 O3 -","- C16 H16 N6 O7 -","- C64 H64 N24 O28 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0631","0.0557","","","0.1441","0.1478","","","","","","1.137","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506091","16.4842","0.0006","16.4842","0.0006","40.118","0.003","90","","90","","120","","9440.7","0.9","223","2","223","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","5-Thiophen-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C8 H7 N3 O2.5 S -","- C8 H7 N3 O2.5 S -","- C288 H252 N108 O90 S36 -","36","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0864","0.0551","","","0.1487","0.1612","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506092","7.2348","0.0004","11.4471","0.0008","17.678","0.0011","90","","92.633","0.002","90","","1462.5","0.16","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Cyclohexylmethyl-5-phenyl-2H-[1,2,3]triazole-4-carbonitrile","","- C16 H12 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0977","0.0622","","","0.139","0.1572","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506093","13.755","0.004","15.225","0.005","6.878","0.002","90","","104.48","","90","","1394.6","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzyl-8-chloro-2H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one","","- C16 H10 Cl N3 O2 -","- C16 H10 Cl N3 O2 -","- C64 H40 Cl4 N12 O8 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.1151","0.0702","","","0.1244","0.1399","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506094","8.3146","0.0011","5.634","0.0008","29.131","0.004","90","","93.396","0.003","90","","1362.2","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzyl-8-chloro-3H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one","","- C16 H10 Cl N3 O2 -","- C16 H10 Cl N3 O2 -","- C64 H40 Cl4 N12 O8 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0471","0.0416","","","0.106","0.11","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506095","17.0442","0.0016","5.7349","0.0005","7.3883","0.0007","90","","95.037","0.002","90","","719.39","0.11","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-2H-[1,2,3]triazole","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0482","0.0446","","","0.1112","0.1135","","","","","","1.132","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506096","13.352","0.0006","13.352","0.0006","12.1413","0.0007","90","","90","","120","","1874.51","0.16","193","","193","","","","","","","","","3","P 32","P 32","145","","7,7'-Dimethyl-1,3,1',3'-tetrahydro-[4,4']biisobenzofuranyl- 5,6,5',6'-tetracarboxylic acid tetramethyl ester","","- C26 H26 O10 -","- C26 H26 O10 -","- C78 H78 O30 -","3","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0248","0.0247","","","0.067","0.0671","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506097","10.5522","0.0006","13.1153","0.0006","21.9409","0.0011","90","","90","","90","","3036.5","0.3","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Bis-acetoxymethyl-2,3,2',3'-tetrahydro-1H,1'H-[5,5']biindenyl- 4,7,4',7'-tetracarboxylic acid tetraethyl ester","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0525","0.0405","","","0.1061","0.1176","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506098","8.9947","0.0008","10.8105","0.0012","13.9124","0.0015","81.632","0.01","73.88","0.009","67.096","0.007","1196.1","0.2","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C44 H72 O16 -","- C44 H72 O16 -","- C44 H72 O16 -","1","1","","Smith, 3rd, Amos B; Simov, Vladimir","Total synthesis of the marine natural product (-)-clavosolide A. A showcase for the Petasis-Ferrier union/rearrangement tactic.","Organic letters","2006","8","15","3315","3318","10.1021/ol0611752","","","0.71069","MoKα","","0.0601","0.0385","","","0.0751","0.0858","","","","","","0.838","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506099","17.027","0.005","8.768","0.005","22.235","0.005","90","","99.014","0.005","90","","3279","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N4 O7 S2 -","- C33 H36 N4 O7 S2 -","- C132 H144 N16 O28 S8 -","4","1","","Lomberget, Thierry; Baragona, Fabien; Fenet, Bernard; Barret, Roland","[3+2] versus [4+2] cycloadditions of quinone monoimide with azadienes: a Lewis acid-free access to 5-amino-2,3-dihydrobenzofuranes.","Organic letters","2006","8","18","3919","3922","10.1021/ol061184a","","x-ray","0.71069","MoKα","","0.0913","0.0504","","0.0886","0.0596","0.0596","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506100","12.4745","0.0003","8.5332","0.0002","16.1449","0.0005","90","","108.536","0.002","90","","1629.43","0.08","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.0663","0.0398","","","0.0934","0.108","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506101","6.2294","0.0005","17.619","0.0011","14.104","0.002","90","","90","","90","","1548","0.3","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H17 N2 -","- C21 H17 N2 -","- C84 H68 N8 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.1653","0.0677","","","0.112","0.1409","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506102","7.697","0.004","13.53","0.006","15.046","0.004","90","","104.33","0.02","90","","1518.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 B N O4 -","- C16 H16 B N O4 -","- C64 H64 B4 N4 O16 -","4","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0711","0.046","","","0.1304","0.1518","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506103","7.802","0.003","7.873","0.003","12.734","0.006","74.89","0.03","75.2","0.02","75.97","0.03","717","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 B N O -","- C18 H18 B N O -","- C36 H36 B2 N2 O2 -","2","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0552","0.0432","","","0.1103","0.1205","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506104","15.42","0.002","6.561","0.003","23.85","0.008","90","","90","","90","","2412.9","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 B N3 -","- C14 H12 B N3 -","- C112 H96 B8 N24 -","8","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0605","0.0438","","","0.1069","0.1187","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506105","11.907","0.004","5.6848","0.0016","12.95","0.004","90","","92.517","0.005","90","","875.7","0.5","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N -","- C12 H11 N -","- C48 H44 N4 -","4","1","","Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith","Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates","Organic Letters","2006","8","14","3113","3116","10.1021/ol061216u","","","0.71073","MoKα","","0.0611","0.0517","","","0.132","0.139","","","","","","1.072","","","","has coordinates","218620","2020-10-21","18:00:00",""
"1506106","5.538","0.003","9.573","0.005","25.815","0.014","90","","87.27","0.012","90","","1367","1.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N -","- C18 H17 N -","- C72 H68 N4 -","4","2","","Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith","Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates","Organic Letters","2006","8","14","3113","3116","10.1021/ol061216u","","","0.71073","MoKα","","0.2243","0.0823","","","0.1743","0.2167","","","","","","0.829","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506107","9.6027","0.0014","10.0645","0.0016","11.093","0.0017","110.209","0.003","109.26","0.003","101.701","0.003","887","0.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","2","","Evans, David A.; Song, Hyun-Ji; Fandrick, Keith R.","Enantioselective nitrone cycloadditions of alpha,beta-unsaturated 2-acyl imidazoles catalyzed by bis(oxazolinyl)pyridine-cerium(IV) triflate complexes.","Organic letters","2006","8","15","3351","3354","10.1021/ol061223i","","x-ray","0.71073","MoKα","","0.0576","0.0492","","","0.1158","0.122","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506108","12.5773","0.0013","13.0527","0.0014","14.9394","0.0016","103.581","0.002","103.794","0.002","113.814","0.002","2022.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O9 -","- C48 H42 N2 O9 -","- C96 H84 N4 O18 -","2","1","","Sim, Eun-Kyung; Jeong, Seung-Doo; Yoon, Dae-Wi; Hong, Seong-Jin; Kang, Youngjin; Lee, Chang-Hee","Porphyrins bearing stable meso-alkylidenyl double bonds. A new family of nonplanar porphyrinoids.","Organic letters","2006","8","15","3355","3358","10.1021/ol0612307","","","0.71073","MoKα","","0.1533","0.0574","","","0.118","0.1523","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506109","12.1293","0.0007","13.3588","0.0008","13.7337","0.0008","68.826","0.001","83.025","0.001","75.297","0.001","2006","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 N3 O9 -","- C47 H41 N3 O9 -","- C94 H82 N6 O18 -","2","1","","Sim, Eun-Kyung; Jeong, Seung-Doo; Yoon, Dae-Wi; Hong, Seong-Jin; Kang, Youngjin; Lee, Chang-Hee","Porphyrins bearing stable meso-alkylidenyl double bonds. A new family of nonplanar porphyrinoids.","Organic letters","2006","8","15","3355","3358","10.1021/ol0612307","","","0.71073","MoKα","","0.1738","0.061","","","0.136","0.1795","","","","","","0.911","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506110","9.019","0.002","10.726","0.003","14.449","0.004","90","","105.111","0.004","90","","1349.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O8 -","- C26 H30 N5 O8 -","- C52 H60 N10 O16 -","2","1","","Liu, Xiangyang; Kwan, Irene C. M.; Wang, Suning; Wu, Gang","G-quartet formation from an N2-modified guanosine derivative","Organic Letters","2006","8","17","3685","3688","10.1021/ol061236w","","","0.71073","MoKα","","0.0919","0.0551","","","0.1266","0.1405","","","","","","0.942","","","","has coordinates","218622","2020-10-21","18:00:00",""
"1506111","13.1985","0.0015","13.4944","0.0015","13.9409","0.0016","65.224","0.002","68.024","0.002","67.455","0.002","2013.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N O -","- C13 H25 N O -","- C78 H150 N6 O6 -","6","3","","Halliday, Jill I.; Chebib, Mary; Turner, Peter; McLeod, Malcolm D.","Double-Mannich annulation of cyclic ketones using N,N-Bis(ethoxymethyl)alkylamine reagents.","Organic letters","2006","8","15","3399","3401","10.1021/ol061242s","","","0.71069","MoKα","","0.1147","0.0814","","","0.2031","0.2188","","","","","","1.381","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506112","11.0066","0.0001","14.624","0.0002","17.8129","0.0002","100.328","0.0007","103.636","0.0009","97.9031","0.0009","2692.32","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br2 N4 O4 -","- C26 H28 Br2 N4 O4 -","- C104 H112 Br8 N16 O16 -","4","2","","Yasui, Yoshizumi; Frantz, Derik K.; Siegel, Jay S.","Synthesis of 4,4'-bisaryl-2,2'-bisbenzimidazoles as building blocks for supramolecular structures.","Organic letters","2006","8","22","4989","4992","10.1021/ol061244c","","","0.71073","MoKα","","0.0689","0.0418","","","0.0945","0.1061","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506113","9.881","0.003","8.283","0.003","20.714","0.007","90","","97.71","0.006","90","","1680","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Huntley, Raymond J.; Funk, Raymond L.","Total syntheses of (+/-)-cis-trikentrin A and (+/-)-cis-trikentrin B via electrocyclic ring closures of 2,3-divinylpyrrolines.","Organic letters","2006","8","15","3403","3406","10.1021/ol061259a","","","0.71073","MoKα","","0.0593","0.0441","","","0.1055","0.1142","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506114","8.4416","0.0005","8.4416","0.0005","24.5449","0.0014","90","","90","","90","","1749.08","0.18","143","1","143","1","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0285","0.0263","","","0.059","0.0602","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506115","7.346","0.0008","15.884","0.002","16.299","0.002","90","","90","","90","","1901.8","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N O3 -","- C21 H28 Cl N O3 -","- C84 H112 Cl4 N4 O12 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0379","0.0306","","","0.0593","0.0618","","","","","","0.897","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506116","8.044","0.01","11.217","0.014","13.883","0.018","74.69","0.02","77.23","0.02","85.51","0.02","1178","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Br Cl2 N5 O5 -","- C20 H21 Br Cl2 N5 O5 -","- C40 H42 Br2 Cl4 N10 O10 -","2","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0908","0.074","","","0.1969","0.2061","","","","","","0.98","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506117","14.765","0.006","22.301","0.008","9.509","0.004","90","","97.598","0.008","90","","3104","2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","2","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.1204","0.0601","","","0.1135","0.1257","","","","","","0.716","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506118","8.357","0.004","17.641","0.009","12.509","0.007","90","","102.708","0.009","90","","1799","1.6","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O5 S -","- C19 H21 N O5 S -","- C76 H84 N4 O20 S4 -","4","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0935","0.0647","","","0.1339","0.148","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506119","14.116","0.018","11.11","0.02","8.36","0.02","90","","94.55","0.12","90","","1307","4","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0664","0.0501","","","0.1226","0.1321","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506120","14.922","0.004","8.735","0.002","17.45","0.005","90","","94.143","0.004","90","","2268.6","1","297","2","297","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 -","- C35 H22 -","- C140 H88 -","4","1","","Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Tang, Chao; Liu, Feng; Fan, Qu-Li; Huang, Wei","Facile synthesis of complicated 9,9-diarylfluorenes based on BF3.Et2O-mediated Friedel-Crafts reaction.","Organic letters","2006","8","17","3701","3704","10.1021/ol061268j","","","0.71073","MoKα","","0.0594","0.0402","","","0.1017","0.1152","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506121","9.244","0.0007","9.5634","0.001","13.502","0.002","90","","106.642","0.006","90","","1143.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)oxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]urea","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C48 H64 N8 O4 -","2","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0803","0.0484","","","0.0965","0.1063","","","","","","0.956","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506122","7.5688","0.0003","9.5287","0.0004","33.9726","0.0014","90","","90","","90","","2450.13","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)thioxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]thiourea","","- C24 H32 N4 S2 -","- C24 H32 N4 S2 -","- C96 H128 N16 S8 -","4","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0825","0.0403","","","0.0709","0.0967","","","","","","0.973","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506123","31.189","0.005","16.501","0.003","14.102","0.002","90","","113.036","0.004","90","","6678.9","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 N3 O9 -","- C34 H46 N3 O9 -","- C272 H368 N24 O72 -","8","1","","Rege, Pankaj D.; Tian, Yuan; Corey, E. J.","Studies of new indole alkaloid coupling methods for the synthesis of haplophytine.","Organic letters","2006","8","14","3117","3120","10.1021/ol061319c","","","0.71073","MoKα","","0.1465","0.0514","","","0.085","0.0966","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506124","20.041","0.008","9.284","0.004","21.351","0.008","90","","104.917","0.007","90","","3839","3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27.5 H28 Cl4 I N3 O4 -","- C27.5 H28 Cl4 I N3 O4 -","- C110 H112 Cl16 I4 N12 O16 -","4","1","","Rege, Pankaj D.; Tian, Yuan; Corey, E. J.","Studies of new indole alkaloid coupling methods for the synthesis of haplophytine.","Organic letters","2006","8","14","3117","3120","10.1021/ol061319c","","","0.71073","MoKα","","0.1665","0.0746","","","0.2419","0.2622","","","","","","0.944","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506125","6.0242","0.0005","21.4235","0.0019","11.8956","0.0009","90","","93.449","0.005","90","","1532.5","0.2","150","","150","","","","","","","","P. Joensuu PJD784","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.069","0.0442","","0.1018","0.095","0.1018","","","","","","0.8861","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506126","15.7502","0.0007","6.1392","0.0003","17.0116","0.0007","90","","99.577","0.003","90","","1621.99","0.13","150","","150","","","","","","","","Gordon Murray, GJM6/36/1","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.0684","0.0446","","0.1086","0.1025","0.1086","","","","","","0.8598","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506127","11.8348","0.0005","6.7889","0.0003","21.2326","0.0011","90","","93.852","0.003","90","","1702.09","0.14","150","","150","","","","","","","","Euan Fordyce EAFF21002A","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.0729","0.0517","","0.1351","0.1265","0.1351","","","","","","0.895","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506128","17.04","0.002","11.32","0.001","25.137","0.002","90","","97.135","0.006","90","","4811.2","0.8","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 F2 N2 O4 -","- C62 H56 F2 N2 O4 -","- C248 H224 F8 N8 O16 -","4","1","","Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin","Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.","Organic letters","2006","8","17","3765","3768","10.1021/ol0613416","","x-ray","1.54178","CuKα","","0.0735","0.0519","","","0.1192","0.1321","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506129","7.8097","0.0004","12.1717","0.0007","18.252","0.001","75.605","0.001","80.791","0.001","80.205","0.001","1643.37","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 F4 N2 O4 -","- C39.999 H38 F4 N2 O4 -","- C79.998 H76 F8 N4 O8 -","2","1","","Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin","Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.","Organic letters","2006","8","17","3765","3768","10.1021/ol0613416","","","0.71073","MoKα","","0.1145","0.1025","","","0.1826","0.188","","","","","","1.375","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506130","15.134","0.01","25.283","0.016","11.758","0.007","90","","90","","90","","4499","5","293","2","293","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.1042","0.0636","","","0.1211","0.1382","","","","","","0.981","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506131","21.57","0.005","8.3502","0.0019","23.271","0.005","90","","90","","90","","4191.4","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.06","0.0393","","","0.0791","0.0881","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506132","12.903","0.004","15.659","0.005","17.267","0.006","98.252","0.006","103.842","0.006","108.822","0.005","3112.5","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","4","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.058","0.0454","","","0.1133","0.1208","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506133","14.231","0.003","11.851","0.002","27.763","0.006","90","","90.34","0.03","90","","4682.2","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 B2 S2 -","- C51 H58 B2 S2 -","- C204 H232 B8 S8 -","4","0.5","","Zhou, Zhiguo; Xiao, Shuzhang; Xu, Jia; Liu, Zhiqiang; Shi, Mei; Li, Fuyou; Yi, Tao; Huang, Chunhui","Modulation of the photochromic property in an organoboron-based diarylethene by a fluoride ion.","Organic letters","2006","8","18","3911","3914","10.1021/ol061370g","","","0.71073","MoKα","","0.0665","0.0459","","","0.133","0.1468","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506134","7.577","0.008","8.208","0.011","13.461","0.015","90","","97.796","0.01","90","","829.4","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 O4 Si -","- C14 H26 O4 Si -","- C28 H52 O8 Si2 -","2","1","","Ghosh, Subrata; Sinha, Saikat; Drew, Michael G. B.","Stereodivergent approach to the asymmetric synthesis of bacillariolides: a formal synthesis of ent-bacillariolide II.","Organic letters","2006","8","17","3781","3784","10.1021/ol061377y","","","0.71073","MoKα","","0.0723","0.0553","","","0.1129","0.12","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506135","9.1848","0.0009","10.3498","0.0003","18.4659","0.0005","90","","90","","90","","1755.38","0.19","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O3 -","- C18 H24 N O3 -","- C72 H96 N4 O12 -","4","1","","Matsumura, Yoshihiro; Ogura, Kanako; Kouchi, Yoshimi; Iwasaki, Fumiaki; Onomura, Osamu","New efficient organic activators for highly enantioselective reduction of aromatic ketones by trichlorosilane.","Organic letters","2006","8","17","3789","3792","10.1021/ol0613822","","","0.7107","MoKα","","","0.0416","","","","0.0901","","","","","","1.306","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506136","6.365","0.003","14.361","0.004","19.468","0.007","90","","90","","90","","1779.5","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Boukouvalas, John; Pouliot, Martin; Robichaud, Joël; MacNeil, Stephen; Snieckus, Victor","Asymmetric total synthesis of (-)-panacene and correction of its relative configuration.","Organic letters","2006","8","16","3597","3599","10.1021/ol061385e","","","1.54178","CuKα","","0.0867","0.0423","","","0.0923","0.106","","","","","","0.759","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506137","30.159","0.005","8.8874","0.0014","20.568","0.003","90","","124.276","0.003","90","","4555.5","1.2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C200 H184 N24 O40 -","8","2","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.109","0.0528","","","0.0578","0.0697","","","","","","0.824","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506138","11.1824","0.0018","11.3032","0.0018","12.902","0.002","105.247","0.004","107.724","0.004","93.027","0.004","1482.9","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O4 -","- C36 H33 N3 O4 -","- C72 H66 N6 O8 -","2","1","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.1157","0.0666","","","0.1327","0.1578","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506139","12.0635","0.0006","9.7402","0.0006","25.188","0.002","90","","98.39","0.003","90","","2927.9","0.3","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.71073","MoKα","","0.1934","0.1119","","","0.1899","0.2003","","","","","","2.134","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506140","21.944","0.0004","9.183","0.0002","15.902","0.0004","90","","99.197","0.0007","90","","3163.25","0.12","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N2 O5.5 -","- C15 H20.5 N2 O5.5 -","- C120 H164 N16 O44 -","8","1","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.7107","MoKα","","0.1616","0.0964","","","0.2159","0.2271","","","","","","2.878","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506141","12.6761","0.0011","9.1007","0.0008","7.4679","0.0007","90","","93.289","0.002","90","","860.09","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N3 O -","- C8 H6 Cl N3 O -","- C32 H24 Cl4 N12 O4 -","4","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0769","0.0517","","","0.1349","0.1489","","","","","","0.983","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506142","9.2953","0.0003","10.7596","0.0003","10.7786","0.0002","93.674","0.001","110.314","0.001","111.876","0.001","914.7","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Br N3 O -","- C8 H6 Br N3 O -","- C32 H24 Br4 N12 O4 -","4","2","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0765","0.0372","","","0.0853","0.0978","","","","","","0.924","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506143","10.5307","0.0009","7.9709","0.0007","29.396","0.003","90","","90","","90","","2467.5","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.1045","0.0517","","","0.1428","0.1667","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506144","5.9414","0.0005","14.8154","0.0013","26.69","0.002","90","","90","","90","","2349.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0967","0.045","","","0.0825","0.0972","","","","","","0.94","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506145","16.754","0.003","6.7136","0.0014","25.22","0.005","90","","96.207","0.003","90","","2820.1","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 O3 P2 -","- C36 H26 O3 P2 -","- C144 H104 O12 P8 -","4","1","","Vecchi, Paul A.; Padmaperuma, Asanga B.; Qiao, Hong; Sapochak, Linda S.; Burrows, Paul E.","A dibenzofuran-based host material for blue electrophosphorescence.","Organic letters","2006","8","19","4211","4214","10.1021/ol0614121","","","0.71073","MoKα","","0.0574","0.0432","","","0.1145","0.1242","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506146","20.8896","0.0007","8.0132","0.0004","11.049","0.0004","90","","111.737","0.003","90","","1718.01","0.13","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","1","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","x-ray","0.71073","MoKα","","0.053","0.0483","","","0.1182","0.1234","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506147","15.6987","0.0002","7.7054","0.0001","29.3165","0.0003","90","","90","","90","","3546.26","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H30 O4 -","- C18 H30 O4 -","- C144 H240 O32 -","8","2","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","","0.71073","MoKα","","0.1069","0.0958","","","0.2327","0.2434","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506148","11.0388","0.0014","12.2504","0.0015","15.617","0.002","90","","99.91","0.002","90","","2080.4","0.5","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C96 H108 N12 O16 -","4","1","","Crawley, Seth L.; Funk, Raymond L.","Generation of aza-ortho-xylylenes via ring opening of 2-(2-acylaminophenyl)aziridines: application in the construction of the communesin ring system.","Organic letters","2006","8","18","3995","3998","10.1021/ol061461d","","","0.71073","MoKα","","0.0509","0.0446","","","0.1169","0.1213","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506149","15.568","0.003","8.5131","0.0016","15.752","0.003","90","","116.33","0.004","90","","1871.1","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Crawley, Seth L.; Funk, Raymond L.","Generation of aza-ortho-xylylenes via ring opening of 2-(2-acylaminophenyl)aziridines: application in the construction of the communesin ring system.","Organic letters","2006","8","18","3995","3998","10.1021/ol061461d","","","0.71073","MoKα","","0.0868","0.054","","","0.1264","0.1402","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506150","9.323","0.004","9.372","0.004","23.298","0.009","90","","92.139","0.007","90","","2034.2","1.5","108","2","108","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 O7 -","- C20 H28 N2 O7 -","- C80 H112 N8 O28 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0952","0.0611","","","0.1339","0.1487","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506151","18.465","0.006","9.25","0.003","12.676","0.004","90","","110.308","0.006","90","","2030.5","1.1","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0466","0.0414","","","0.0966","0.0994","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506152","10.5361","0.001","11.1344","0.001","13.6933","0.0012","90","","108.702","0.001","90","","1521.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Turrapubesin A","","","- C31 H39 Cl O9 -","- C31 H39 Cl O9 -","- C62 H78 Cl2 O18 -","2","1","","Wang, Xiao-Ning; Yin, Sheng; Fan, Cheng-Qi; Wang, Fang-Dao; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Turrapubesins A and B, first examples of halogenated and maleimide-bearing limonoids in nature from Turraea pubescens.","Organic letters","2006","8","17","3845","3848","10.1021/ol061466a","","","0.71073","MoKα","","0.0703","0.0585","","","0.1598","0.168","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506153","10.7956","0.0003","20.8712","0.0005","22.6826","0.0006","91.146","0.001","114.327","0.001","89.589","0.001","4656.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H86 N8 O Zn -","- C110 H86 N8 O Zn -","- C220 H172 N16 O2 Zn2 -","2","1","","Yen, Wei-Nan; Lo, Shang-Shih; Kuo, Ming-Cheng; Mai, Chi-Lun; Lee, Gene-Hsiang; Peng, Shie-Ming; Yeh, Chen-Yu","Synthesis, structure, and optical and electrochemical properties of star-shaped porphyrin-triarylamine conjugates.","Organic letters","2006","8","19","4239","4242","10.1021/ol061478w","","","0.71073","MoKα","","0.1224","0.0782","","","0.2235","0.2548","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506154","6.0952","0.0003","16.8339","0.0008","11.9653","0.0006","90","","96.885","0.002","90","","1218.86","0.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N O2 Si -","- C27 H29 N O2 Si -","- C54 H58 N2 O4 Si2 -","2","1","","Cho, Chang-Woo; Krische, Michael J.","Alpha-hydroxy esters via enantioselective hydrogen-mediated C-C coupling: regiocontrolled reactions of silyl-substituted 1,3-diynes.","Organic letters","2006","8","17","3873","3876","10.1021/ol061485k","","","0.71073","MoKα","","0.0572","0.0389","","","0.0784","0.0859","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506155","6.3696","0.0002","7.2069","0.0002","29.1029","0.001","90","","90","","90","","1335.97","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,3aR,5aR,7aS,10aS,10bS,10cR)-2-methoxy-2,3,3a,7a,8, 10a,10b,10c-octahydro-5aH-1,9-dioxa- dicyclopenta[a,h]naphthalen-10-one","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Felzmann, Wolfgang; Arion, Vladimir B.; Mieusset, Jean-Luc; Mulzer, Johann","A tether controlled exo-selective trans-annular Diels-Alder (TADA) reaction.","Organic letters","2006","8","17","3849","3851","10.1021/ol061510m","","","0.71073","MoKα","","0.0481","0.0388","","","0.0948","0.1003","","","","","","1.093","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506156","13.4544","0.0013","6.9898","0.0007","13.6325","0.0013","90","","95.487","0.002","90","","1276.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Ye, Long-Wu; Sun, Xiu-Li; Zhu, Chun-Yin; Tang, Yong","Unexpected tandem ylide annulation reaction for controllable synthesis of 2H-chromenes and 4H-chromenes.","Organic letters","2006","8","17","3853","3856","10.1021/ol0615174","","","0.71073","MoKα","","0.067","0.0542","","","0.1479","0.158","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506157","7.103","0.001","13.709","0.001","14.869","0.001","90","","90","","90","","1447.9","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O5 -","- C17 H14 N2 O5 -","- C68 H56 N8 O20 -","4","1","","Das, Suven; Fröhlich, Roland; Pramanik, Animesh","Synthesis and fluorescent properties of a new class of heterocycles of isoindole fused imidazoles with phenolic subunits.","Organic letters","2006","8","19","4263","4266","10.1021/ol061520n","","","1.54178","CuKα","","0.0271","0.027","","","0.0724","0.0725","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506158","12.246","0.0003","23.6665","0.0006","11.8579","0.0003","90","","113.398","0.001","90","","3154.05","0.14","373","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O7 -","- C37 H32 N2 O7 -","- C148 H128 N8 O28 -","4","1","","Johns, Deidre M.; Mori, Makoto; Williams, Robert M.","Synthetic studies on quinine: quinuclidine construction via a ketone enolate regio- and diastereoselective Pd-mediated allylic alkylation.","Organic letters","2006","8","18","4051","4054","10.1021/ol061524s","","","0.71073","MoKα","","0.0858","0.0504","","","0.1184","0.1365","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506159","8.777","0.001","13.634","0.002","12.888","0.002","90","","109.04","0.01","90","","1457.9","0.4","287","2","287","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Li, Guo-You; Li, Bo-Gang; Yang, Tao; Liu, Guang-Ye; Zhang, Guo-Lin","Chaetoindicins A-C, three isoquinoline alkaloids from the fungus Chaetomium indicum.","Organic letters","2006","8","16","3613","3615","10.1021/ol061525k","","","0.71073","MoKα","","0.0727","0.0417","","","0.0936","0.1008","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506160","5.6494","0.0001","20.1371","0.0002","13.3458","0.0002","90","","93.685","0.001","90","","1515.11","0.04","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Majumdar, K. C.; Alam, S.","Regioselective unusual formation of spirocyclic 4-{2'-benzo(2',3'-dihydro)furo}- 9-methyl-2,3,9-trihydrothiopyrano[2,3-b]indole by 4-exo-trig aryl radical cyclization and rearrangement.","Organic letters","2006","8","18","4059","4062","10.1021/ol061531g","","","0.71073","MoKα","","0.0476","0.0381","","","0.0984","0.1048","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506161","26.437","0.003","9.373","0.0011","19.0763","0.0016","90","","105.419","0.007","90","","4556.9","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 O8 -","- C50 H46 O8 -","- C200 H184 O32 -","4","0.5","","Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre","CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.","Organic letters","2006","8","20","4405","4408","10.1021/ol061544u","","","0.71073","MoKα","","0.155","0.1311","","","0.3004","0.3126","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506162","11.2074","0.0005","13.3796","0.001","16.7503","0.0011","81.543","0.004","77.386","0.004","89.998","0.004","2423.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H70 O9 -","- C53 H70 O9 -","- C106 H140 O18 -","2","1","","Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre","CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.","Organic letters","2006","8","20","4405","4408","10.1021/ol061544u","","","0.71073","MoKα","","0.0577","0.0428","","","0.1085","0.1172","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506163","9.214","0.005","10.191","0.005","9.606","0.007","90","","111.68","0.03","90","","838.2","0.9","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C42 H40 O4 -","2","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.101","0.0542","","","0.1197","0.1403","","","","","","0.985","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506164","14.894","0.007","25.242","0.013","19.3","0.008","90","","110.11","0.04","90","","6814","6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 Cl6 N4 O4 S2 -","- C56 H50 Cl6 N4 O4 S2 -","- C224 H200 Cl24 N16 O16 S8 -","4","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.3993","0.2166","","","0.466","0.5352","","","","","","1.293","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506165","6.126","0.002","7.3524","0.0013","29.508","0.005","90","","90","","90","","1329.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H20 B Na O9 -","- C7 H20 B Na O9 -","- C28 H80 B4 Na4 O36 -","4","1","","Cammidge, Andrew N.; Goddard, Victoria H. M.; Gopee, Hemant; Harrison, Nicola L.; Hughes, David L.; Schubert, Christopher J.; Sutton, Benjamin M.; Watts, Gary L.; Whitehead, Andrew J.","Aryl trihydroxyborates: easily isolated discrete species convenient for direct application in coupling reactions.","Organic letters","2006","8","18","4071","4074","10.1021/ol061564w","","","0.71069","Mo-Kα","","0.042","0.0351","","","0.0802","0.0846","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506166","11.0011","0.0013","12.2123","0.0015","11.1592","0.0013","90","","97.2768","0.0018","90","","1487.1","0.3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0419","0.0352","","","0.089","0.0945","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506167","6.0006","0.0008","8.0097","0.0011","14.4792","0.0019","90","","90.68","0.002","90","","695.86","0.16","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0444","0.0363","","","0.0748","0.0837","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506168","6.072","0.004","15.035","0.004","22.423","0.006","90","0.02","90","0.04","90","0.04","2047.1","1.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C92 H104 O24 -","4","1","","Xu, Gang; Hou, Ai-Jun; Wang, Rui-Rui; Liang, Guang-Yu; Zheng, Yong-Tang; Liu, Ze-Yuan; Li, Xiao-Li; Zhao, Yu; Huang, Sheng-Xiong; Peng, Li-Yan; Zhao, Qin-Shi","Przewalskin A: A new C23 terpenoid with a 6/6/7 carbon ring skeleton from Salvia przewalskii maxim.","Organic letters","2006","8","20","4453","4456","10.1021/ol061609t","","","0.71073","MoKα","","0.1322","0.0508","","","0.1281","0.1625","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506169","10.389","0.002","11.02","0.002","14.128","0.002","88.08","0.01","73.29","0.01","69.02","0.01","1442.1","0.5","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 N2 O8 S2 -","- C26 H40 N2 O8 S2 -","- C52 H80 N4 O16 S4 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.087","","","","0.2231","","","","","","2.141","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506170","5.6042","0.0009","10.207","0.001","14.106","0.002","74.48","0.01","78.5","0.01","75.38","0.01","744.74","0.18","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O2.5 S1.5 -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.1318","","","","0.325","","","","","","2.733","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506171","5.554","0.001","10.241","0.002","13.571","0.003","76.31","0.02","78.81","0.02","75.28","0.02","717.9","0.3","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N O3 S -","- C14 H18 N O3 S -","- C28 H36 N2 O6 S2 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.1371","","","","0.3264","","","","","","3.259","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506172","8.536","0.0002","9.6894","0.0003","10.5913","0.0003","79.31","0.002","68.379","0.002","79.786","0.002","794.51","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N2 O5 S2 -","- C13 H20 N2 O5 S2 -","- C26 H40 N4 O10 S4 -","2","1","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0502","0.0381","","","0.0952","0.1041","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506173","11.7943","0.0006","7.8523","0.0002","20.6581","0.001","90","","95.796","0.002","90","","1903.42","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 S2 -","- C16 H24 N2 O5 S2 -","- C64 H96 N8 O20 S8 -","4","1","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0852","0.0464","","","0.1093","0.1282","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506174","15.5689","0.0003","11.3899","0.0002","17.4891","0.0004","90","","96.7179","0.0011","90","","3080.02","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O5 S2 -","- C13 H18 N2 O5 S2 -","- C104 H144 N16 O40 S16 -","8","2","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0629","0.0461","","","0.132","0.1474","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506175","9.8222","0.001","15.7753","0.0016","17.0784","0.0017","90","","100.61","0.002","90","","2601","0.5","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 O3 Si -","- C25 H42 O3 Si -","- C100 H168 O12 Si4 -","4","1","","Clark, Timothy B.; Woerpel, K. A.","Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.","Organic letters","2006","8","18","4109","4112","10.1021/ol061652g","","","0.71073","MoKα","","0.0468","0.0354","","","0.0878","0.0973","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506176","11.4318","0.0011","11.9829","0.0011","16.2499","0.0016","70.808","0.002","87.714","0.002","80.765","0.002","2074.8","0.3","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","2","","Clark, Timothy B.; Woerpel, K. A.","Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.","Organic letters","2006","8","18","4109","4112","10.1021/ol061652g","","","0.71073","MoKα","","0.1697","0.1305","","","0.3737","0.3986","","","","","","2.664","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506177","6.068","0.0006","10.6903","0.001","14.2193","0.0014","90","","92.64","0.002","90","","921.41","0.15","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Leyhane, Andrew J.; Snapper, Marc L.","Functionalized oxepines via fragmentation of highly strained epoxides.","Organic letters","2006","8","23","5183","5186","10.1021/ol061682j","","","0.71073","MoKα","","0.0578","0.0472","","","0.1265","0.1318","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506178","10.7652","0.0015","5.778","0.0009","25.226","0.004","90","","96.903","0.004","90","","1557.7","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N2 O8 -","- C16 H14 N2 O8 -","- C64 H56 N8 O32 -","4","1","","Leyhane, Andrew J.; Snapper, Marc L.","Functionalized oxepines via fragmentation of highly strained epoxides.","Organic letters","2006","8","23","5183","5186","10.1021/ol061682j","","","0.71073","MoKα","","0.1077","0.0956","","","0.2628","0.2731","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506179","9.458","0.002","11.332","0.002","13.604","0.002","76.51","0.01","86.68","0.02","82.32","0.02","1404.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 I N P Pd -","- C31 H31 I N P Pd -","- C62 H62 I2 N2 P2 Pd2 -","2","1","","Beccalli, Egle M.; Broggini, Gianluigi; Martinelli, Michela; Masciocchi, Norberto; Sottocornola, Silvia","New 4-spiroannulated tetrahydroisoquinolines by a one-pot sequential procedure. isolation and characterization of sigma-alkylpalladium heck intermediates.","Organic letters","2006","8","20","4521","4524","10.1021/ol061693c","","","0.71073","MoKα","","0.0245","0.021","","","0.0497","0.0514","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506180","7.2601","0.0008","17.0441","0.0019","11.6153","0.0013","90","","105.116","0.002","90","","1387.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","06167a","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Sessions, E. Hampton; Jacobi, Peter A.","Studies on the synthesis of furanosteroids. I. Viridin models.","Organic letters","2006","8","18","4125","4128","10.1021/ol061697h","","","0.71073","MoKα","","0.0689","0.053","","","0.1051","0.1103","","","","","","1.143","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506181","53.619","0.008","12.3613","0.0018","18.615","0.003","90","","108.317","0.002","90","","11713","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93.95 H22.6 N2 O4 S2.7 -","- C93.95 H22.6 N2 O4 S2.7 -","- C751.6 H180.8 N16 O32 S21.6 -","8","1","","Chuang, Shih-Ching; Clemente, Fernando R.; Khan, Saeed I.; Houk, K. N.; Rubin, Yves","Approaches to open fullerenes: a 1,2,3,4,5,6-hexaadduct of C60.","Organic letters","2006","8","20","4525","4528","10.1021/ol061707e","","","0.71073","MoKα","","0.178","0.123","","","0.3062","0.335","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506182","6.1879","0.0006","6.6386","0.0006","30.879","0.003","90","","90","","90","","1268.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N5 O5 -","- C11 H15 N5 O5 -","- C44 H60 N20 O20 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.032","0.0312","","","0.0806","0.0812","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506183","10.9634","0.0005","6.2492","0.0003","24.277","0.0017","90","","97.714","0.003","90","","1648.23","0.16","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H33 N5 O8 -","- C35 H33 N5 O8 -","- C70 H66 N10 O16 -","2","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0418","0.0357","","","0.0949","0.0996","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506184","6.9156","0.0004","9.5678","0.0006","14.8356","0.0009","90","","97.897","0.002","90","","972.32","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N5 O2 -","- C8 H9 N5 O2 -","- C32 H36 N20 O8 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0371","0.0365","","","0.1011","0.1019","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506185","6.986","0.007","11.755","0.011","25.4","0.02","90","","90","","90","","2086","3","142","2","142","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.125","0.0981","","","0.2659","0.2782","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506186","12.794","0.003","12.794","0.003","24.424","0.007","90","","90","","120","","3462.3","1.5","123","2","123","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C156 H174 N6 O30 -","6","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.059","0.0562","","","0.1574","0.1626","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506187","26.12","0.005","9.092","0.0018","11.853","0.002","90","","90","","90","","2814.9","0.9","183","2","183","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C32 H40 O6 -","- C32 H40 O6 -","- C128 H160 O24 -","4","0.5","","Bérubé, Amélie; Drutu, Ioana; Wood, John L.","Progress toward the total synthesis of bacchopetiolone: application of a tandem aromatic oxidation/Diels-Alder reaction.","Organic letters","2006","8","24","5421","5424","10.1021/ol061737h","","","0.71073","MoKα","","0.1169","0.0764","","","0.2128","0.2252","","","","","","1.534","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506188","33.2904","0.0006","4.6499","0.0001","21.8825","0.0003","90","","129.954","0.001","90","","2596.6","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4 O4 -","- C34 H24 N4 O4 -","- C136 H96 N16 O16 -","4","0.5","","Maes, Wouter; Van Rossom, Wim; Van Hecke, Kristof; Van Meervelt, Luc; Dehaen, Wim","Selective synthesis of functionalized thia- and oxacalix[2]arene[2]pyrimidines.","Organic letters","2006","8","18","4161","4164","10.1021/ol0617446","","","1.54178","CuKα","","0.0443","0.041","","","0.1072","0.1107","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506189","14.298","0.003","9.036","0.002","24.098","0.006","90","","103.915","0.004","90","","3022","1.2","120.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H51 Cl9 N4 -","- C69 H51 Cl9 N4 -","- C138 H102 Cl18 N8 -","2","0.5","","Higuchi, Masayoshi; Shomura, Ryo; Ohtsuka, Yuhki; Hayashi, Akari; Yamamoto, Kimihisa; Kurth, Dirk G.","Sequential metal ion assembly in cyclic phenylazomethine.","Organic letters","2006","8","21","4723","4726","10.1021/ol061758b","","","0.71069","MoKα","","","0.0609","","","","0.1891","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506190","10.4953","0.0002","12.5604","0.0002","18.7166","0.0003","93.594","0.001","102.2","0.001","106.121","0.001","2297.33","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C94 H70 Cl8 -","- C94 H70 Cl8 -","- C94 H70 Cl8 -","1","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1719","0.139","","","0.3195","0.3486","","","","","","2.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506191","28.4006","0.0005","10.1973","0.0003","16.7659","0.0004","90","","113.988","0.0011","90","","4436.19","0.19","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C57 H43 Cl2 -","- C57 H43 Cl2 -","- C228 H172 Cl8 -","4","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1374","0.096","","","0.2326","0.2401","","","","","","1.873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506192","10.5923","0.0003","10.641","0.0003","10.6696","0.0003","102.995","0.001","109.818","0.001","106.515","0.001","1013.57","0.05","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C55 H46 -","- C55 H46 -","- C55 H46 -","1","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.0783","0.0513","","","0.1354","0.1468","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506193","9.9995","0.0002","21.0286","0.0003","28.2579","0.0005","90","","97.321","0.0009","90","","5893.5","0.18","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C71 H56 Cl6 -","- C71 H56 Cl6 -","- C284 H224 Cl24 -","4","1","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1963","0.0821","","","0.1925","0.2636","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506194","15.8018","0.0008","10.593","0.0006","13.4179","0.0004","90","","99.317","0.003","90","","2216.37","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 B10 Si2 -","- C14 H28 B10 Si2 -","- C56 H112 B40 Si8 -","4","1","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0787","0.046","","","0.1055","0.1167","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506195","7.7775","0.0002","14.1714","0.0003","15.9281","0.0005","96.034","0.002","103.042","0.002","100.443","0.002","1662.3","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H22 B10 Si -","- C9 H22 B10 Si -","- C36 H88 B40 Si4 -","4","2","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0559","0.0426","","","0.107","0.1142","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506196","16.7308","0.0012","13.0118","0.0005","19.7733","0.0013","90","","113.094","0.002","90","","3959.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 B10 Si -","- C14 H24 B10 Si -","- C112 H192 B80 Si8 -","8","2","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0949","0.0535","","","0.123","0.1398","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506197","15.884","0.0005","10.915","0.0003","23.3469","0.0007","90","","109.874","0.0015","90","","3806.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 O S -","- C50 H44 O S -","- C200 H176 O4 S4 -","4","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1725","0.0791","","","0.1891","0.2344","","","","","","1.186","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506198","10.5328","0.0001","14.2613","0.0002","17.205","0.0003","67.351","0.0007","72.196","0.0008","70.479","0.0008","2200.91","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H45 N -","- C60 H45 N -","- C120 H90 N2 -","2","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.111","0.0596","","","0.1452","0.178","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506199","9.0731","0.0006","14.1751","0.0007","14.4817","0.0009","73.659","0.003","81.407","0.003","77.206","0.004","1735.34","0.18","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H34 S2 -","- C44 H34 S2 -","- C88 H68 S4 -","2","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1551","0.0637","","","0.1365","0.1821","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506200","9.8963","0.0003","10.7278","0.0005","10.7354","0.0004","110.407","0.002","104.026","0.002","107.311","0.002","940.43","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H38 S2 -","- C52 H38 S2 -","- C52 H38 S2 -","1","0.5","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1106","0.0612","","","0.149","0.1822","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506201","10.3765","0.0002","10.4444","0.0002","10.7639","0.0002","107.404","0.001","109.796","0.001","99.034","0.001","1003.08","0.04","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 Cl4 S2 -","- C46 H38 Cl4 S2 -","- C46 H38 Cl4 S2 -","1","0.5","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.0706","0.0555","","","0.153","0.1789","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506202","5.03","0.0004","12.3658","0.0009","14.072","0.001","102.516","0.001","95.968","0.001","95.375","0.001","843.74","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.5 H11.5 N0.5 O S0.5 -","- C19 H23 N O2 S -","- C38 H46 N2 O4 S2 -","2","1","","Kim, Soo Min; Lee, Sang Ick; Chung, Young Keun","GaCl3-catalyzed formation of eight-membered rings from enynes bearing a cyclic olefin.","Organic letters","2006","8","24","5425","5427","10.1021/ol061801v","","","0.71073","MoKα","","0.0576","0.0446","","","0.1148","0.131","","","","","","1.146","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506203","5.5389","0.0005","8.4692","0.0008","27.111","0.003","90","","90","","90","","1271.8","0.2","138","","138","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Wender, Paul A.; Horan, Joshua C.","Synthesis and PKC binding of a new class of a-ring diversifiable bryostatin analogues utilizing a double asymmetric hydrogenation and cross-coupling strategy.","Organic letters","2006","8","20","4581","4584","10.1021/ol0618149","","","0.71073","MoKα","","0.0299","0.0271","","","0.0618","0.0625","","","","","","0.985","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506204","13.328","0.007","22.154","0.008","15.638","0.006","90","0.005","108.17","0.006","90","0.005","4387","3","173.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl7 N O2 Si -","- C38 H54 Cl7 N O2 Si -","- C152 H216 Cl28 N4 O8 Si4 -","4","1","","Kondo, Shin-Ichi; Harada, Tomomi; Tanaka, Ryoji; Unno, Masafumi","Anion recognition by a silanediol-based receptor.","Organic letters","2006","8","20","4621","4624","10.1021/ol061822p","","","0.7107","MoKα","","","0.0793","","","","0.2238","","","","","","1.774","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506205","6.0107","0.0003","15.0074","0.0007","25.3448","0.0011","90","","90","","90","","2286.23","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Br O5 -","- C28 H23 Br O5 -","- C112 H92 Br4 O20 -","4","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0456","0.0333","","","0.0685","0.0727","","","","","","0.982","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506206","13.1894","0.0018","5.199","0.001","17.152","0.003","90","","110.015","0.007","90","","1105.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 Br O5 -","- C26 H23 Br O5 -","- C52 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0514","0.0388","","","0.0816","0.0857","","","","","","0.979","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506207","10.0462","0.0007","5.387","0.0004","19.6191","0.0014","90","","100.504","0.002","90","","1043.97","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O5 -","- C23 H23 Br O5 -","- C46 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0539","0.0384","","","0.0819","0.0869","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506208","7.4562","0.0012","16.273","0.003","11.316","0.002","90","","95.83","0.1","90","","1365.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","amino-pyrrolo[2,3-b]quinoxaline","1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","","Gryko, Daniel T.; Piechowska, Joanna; Tasior, Mariusz; Waluk, Jacek; Orzanowska, Grazyna","From bifunctional nucleophilic behavior of DBU to a new heterocyclic fluorescent platform.","Organic letters","2006","8","21","4747","4750","10.1021/ol061827m","","","0.71073","MoKα","","0.1374","0.0691","","","0.169","0.1954","","","","","","0.96","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506209","10.447","0.002","11.215","0.002","37.269","0.008","90","","90","","90","","4366.6","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C200 H248 N8 O24 -","8","2","","Lebeuf, Raphaël; Robert, Frédéric; Schenk, Kurt; Landais, Yannick","Desymmetrization of cyclohexa-2,5-dienes through a diastereoselective protonation-hydroamination cascade.","Organic letters","2006","8","21","4755","4758","10.1021/ol0618353","","","0.71073","MoKα","","0.0635","0.0463","","","0.061","0.0618","","","","","","2.765","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506210","6.8719","0.0002","8.3968","0.0002","12.8819","0.0004","90","","98.659","0.002","90","","734.84","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl O3 S -","- C14 H17 Cl O3 S -","- C28 H34 Cl2 O6 S2 -","2","1","","Zhao, Hongda; Gorman, Jeffrey S. T.; Pagenkopf, Brian L.","Advances in Lewis acid controlled carbon-carbon bond-forming reactions enable a concise and convergent total synthesis of bullatacin.","Organic letters","2006","8","19","4379","4382","10.1021/ol061847o","","","0.71073","MoKα","","0.0487","0.0346","","","0.0626","0.0676","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506211","34.902","0.009","9.072","0.002","33.401","0.009","90","","109.749","0.001","90","","9954","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 8","Tetracoordinate thiazetidine","","- C25 H15 F12 N O S -","- C25 H15 F12 N O S -","- C400 H240 F192 N16 O16 S16 -","16","2","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0748","0.049","","","0.1239","0.1469","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506212","10.371","0.004","16.811","0.007","14.108","0.006","90","","90","","90","","2459.7","1.7","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 9","Pentacoordinate 1,2-thiazetidine","","- C25 H15 F12 N O2 S -","- C25 H15 F12 N O2 S -","- C100 H60 F48 N4 O8 S4 -","4","1","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0249","0.0243","","","0.0569","0.0572","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506213","17.5139","0.0009","5.3838","0.0004","23.798","0.002","90","","121.842","0.002","90","","1906.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C80 H108 N4 O24 -","4","1","","Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean","Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.","Organic letters","2006","8","21","4819","4822","10.1021/ol061874e","","","0.71073","MoKα","","0.1157","0.0831","","","0.1627","0.1775","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506214","12.417","0.001","5.357","0.0003","18.569","0.002","90","0.01","96.63","0.005","90","0.01","1226.91","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","","Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean","Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.","Organic letters","2006","8","21","4819","4822","10.1021/ol061874e","","","0.71073","MoKα","","0.0881","0.0752","","","0.1874","0.197","","","","","","1.12","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506215","23.094","0.005","21.226","0.004","27.759","0.006","90","","93.35","0.03","90","","13584","5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 N2 S4 -","- C68 H56 F6 N2 O4 S4 -","- C544 H448 F48 N16 O32 S32 -","8","2","","Kumar, Rajeev; Misra, Rajneesh; Chandrashekar, Tavarekere K.","Effect of meso aryl substituents on the synthesis of core-modified expanded porphyrins.","Organic letters","2006","8","21","4847","4850","10.1021/ol0619011","","","0.71073","MoKα","","0.1724","0.1109","","","0.2432","0.2721","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506216","20.19","0.005","21.348","0.005","24.339","0.009","98.401","0.005","100.779","0.005","115.219","0.004","9017","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H105 Fe6 O3 -","- C117 H105 Fe6 O3 -","- C468 H420 Fe24 O12 -","4","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","0.71073","MoKα","","0.0935","0.0653","","","0.1693","0.1838","","","","","","1.106","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506217","7.8618","0.0003","23.0451","0.0007","15.497","0.0005","90","","103.565","0.002","90","","2729.36","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 Fe I -","- C16 H13 Fe I -","- C128 H104 Fe8 I8 -","8","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0379","0.0377","","","0.0962","0.0964","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506218","12.6557","0.0006","7.8068","0.0004","12.6535","0.0006","90","","104.579","0.002","90","","1209.92","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Fe2 -","- C34 H26 Fe2 -","- C68 H52 Fe4 -","2","0.5","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0438","0.0345","","","0.0745","0.0779","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506219","12.3611","0.0007","13.3819","0.0007","12.5042","0.0007","90","","108.934","0.001","90","","1956.47","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br2 N O -","- C22 H19 Br2 N O -","- C88 H76 Br8 N4 O4 -","4","1","","Lazareva, Anna; Daugulis, Olafs","Direct palladium-catalyzed ortho-arylation of benzylamines.","Organic letters","2006","8","23","5211","5213","10.1021/ol061919b","","","0.71073","MoKα","","0.0254","0.0207","","","0.0552","0.0572","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506220","7.3419","0.0007","24.75","0.002","7.8224","0.0007","90","","107","0.002","90","","1359.3","0.2","100","2","293","2","","","","","","","synthetic","3","P 1 21/a 1","-P 2yab","14","","pyran-2-one annulated tetrahelicene RI-2","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.0815","0.057","","","0.1235","0.1634","","","","","","1.151","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506221","12.559","0.005","5.626","0.005","19.945","0.005","90","","104.03","","90","","1367.2","1.4","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","2-pyranone-annulated tetrahelicenes RI-1","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.1751","0.1327","","","0.3673","0.3935","","","","","","1.127","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506222","11.202","0.005","7.167","0.005","18.199","0.005","90","0.005","94.155","0.005","90","0.005","1457.3","1.3","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","4-methyl-pyran-2-one fused tetrahelicenes RI-1","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71069","MoKα","","0.087","0.0632","","","0.1568","0.1964","","","","","","1.227","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506223","7.885","0.005","26.061","0.005","7.474","0.005","90","0.005","111.659","0.005","90","0.005","1427.4","1.3","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","4-methyl-pyran-2-one annulated tetrahelicenes RI-2","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71069","MoKα","","0.1068","0.0753","","","0.1771","0.2238","","","","","","1.229","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506224","17.351","0.004","23.605","0.005","14.941","0.003","90","","90","","90","","6119","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24.5 H25 Cl Cu F12 N8 P2 -","- C24.5 H25 Cl Cu F12 N8 P2 -","- C196 H200 Cl8 Cu8 F96 N64 P16 -","8","1","","Gong, Han-Yuan; Zheng, Qi-Yu; Zhang, Xiao-Hang; Wang, De-Xian; Wang, Mei-Xiang","Methylazacalix[4]pyridine: en route to Zn2±specific fluoresence sensors.","Organic letters","2006","8","21","4895","4898","10.1021/ol061928k","","","0.71073","MoKα","","0.0979","0.0439","","","0.0853","0.0912","","","","","","0.694","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506225","8.4301","0.0007","25.655","0.002","10.6102","0.0009","90","","105.677","0.001","90","","2209.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","06196","","","- C21 H28 N4 O9 -","- C21 H28 N4 O9 -","- C84 H112 N16 O36 -","4","1","","Gerasyuto, Aleksey I.; Hsung, Richard P.","Stereodivergent total syntheses of precoccinelline, hippodamine, coccinelline, and convergine.","Organic letters","2006","8","21","4899","4902","10.1021/ol0619359","","","0.71073","MoKα","","0.0473","0.0391","","","0.0898","0.0937","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506226","6.0231","0.0012","18.81","0.004","19.088","0.004","90","","91.44","0.03","90","","2161.9","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","2","","Kwiatkowski, Piotr; Majer, Jakub; Chaładaj, Wojciech; Jurczak, Janusz","Highly diastereoselective Friedel-Crafts reaction of furans with 8-phenylmenthyl glyoxylate.","Organic letters","2006","8","22","5045","5048","10.1021/ol061943p","","","0.71073","MoKα","","0.0968","0.0811","","","0.2129","0.2279","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506227","9.736","0.005","15.884","0.005","11.886","0.005","90","0.005","97.432","0.005","90","0.005","1822.7","1.3","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 N2 O2 S -","- C20 N2 O2 S -","- C80 N8 O8 S4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.186","0.0935","","","0.1672","0.2252","","","","","","0.989","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506228","9.634","0.005","9.858","0.005","11.925","0.005","97.676","0.005","97.61","0.005","116.21","0.005","983.4","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C42 H48 N4 O4 S2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation–aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1233","0.0785","","","0.205","0.2414","","","","","","0.979","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506229","5.982","0.001","11.036","0.003","20.476","0.013","90","","90","","90","","1351.8","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation–aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.0922","0.0553","","","0.1408","0.17","","","","","","0.905","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506230","11.499","0.005","11.633","0.005","21.44","0.005","82.286","0.005","81.579","0.005","76.573","0.005","2744.5","1.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C104 H120 Cl24 O8 -","8","4","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation–aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.2011","0.0686","","","0.1636","0.2432","","","","","","0.896","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506231","6.951","0.003","7.903","0.004","14.659","0.004","90","","101.766","0.015","90","","788.4","0.6","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O -","- C20 H20 O -","- C40 H40 O2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation–aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1171","0.0839","","","0.2011","0.2493","","","","","","0.969","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506232","7.544","0.003","15.504","0.004","11.984","0.004","90","","105.776","0.011","90","","1348.9","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation–aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.2052","0.0968","","","0.2596","0.2014","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506233","6.193","0.005","17.433","0.005","14.493","0.005","90","0.005","99.693","0.005","90","0.005","1542.4","1.4","291","2","291","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation–aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1797","0.0961","","","0.2076","0.1727","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506234","11.2356","0.0003","5.4389","0.0002","19.1892","0.0005","90","","90","","90","","1172.64","0.06","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Jervis, Peter J.; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2,4,5-trisubstituted tetrahydropyrans using an intramolecular allylation strategy.","Organic letters","2006","8","20","4649","4652","10.1021/ol061957v","","","1.54178","CuKα","","0.0339","0.0312","","","0.0898","0.0927","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506235","10.1","0.0001","17.0482","0.0002","20.4921","0.0002","102.669","0.001","96.006","0.001","106.526","0.001","3247.31","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)(phenyl)methyl)valamide","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C150 H186 N6 O12 -","6","3","","Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.","Oxonitriles: a grignard addition-acylation route to enamides.","Organic letters","2006","8","21","4903","4906","10.1021/ol0619765","","","0.71073","MoKα","","0.0714","0.044","","","0.1277","0.1486","","","","","","0.912","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506236","12.7515","0.0003","15.6796","0.0003","19.48","0.0004","90","","104.275","0.001","90","","3774.54","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)ethyl)pivalamide","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C160 H232 N8 O16 -","8","2","","Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.","Oxonitriles: a grignard addition-acylation route to enamides.","Organic letters","2006","8","21","4903","4906","10.1021/ol0619765","","","0.71073","MoKα","","0.0832","0.0462","","","0.1136","0.132","","","","","","1.03","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506237","17.935","0.004","6.408","0.001","12.934","0.003","90","","99.607","0.003","90","","1465.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","03097","","","- C12 H19 N O4 Si -","- C12 H19 N O4 Si -","- C48 H76 N4 O16 Si4 -","4","1","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.117","0.0937","","","0.2","0.2115","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506238","7.7751","0.0017","15.225","0.003","32.622","0.007","90","","90","","90","","3861.7","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","06036b","","","- C15 H27 N O6 Si -","- C15 H27 N O6 Si -","- C120 H216 N8 O48 Si8 -","8","2","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.0905","0.0532","","","0.1128","0.1308","","","","","","1.056","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506239","7.928","0.0013","7.9969","0.0013","12.261","0.002","83.526","0.003","78.836","0.003","62.414","0.003","675.69","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C28 H26 Br2 O8 -","2","1","","Xu, Lubin; Huang, Xian; Zhong, Fangrui","Intermolecular tandem addition-cyclization of bromoallenes: a facile synthesis of methylenecyclopropyl carboxylates and polysubstituted furans.","Organic letters","2006","8","22","5061","5064","10.1021/ol061993u","","","0.71073","MoKα","","0.0707","0.0569","","","0.1335","0.1379","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506240","36.957","0.003","9.8273","0.0009","16.7524","0.0017","90","","104.949","0.004","90","","5878.3","0.9","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C320 H256 N16 -","8","1","","Kim, Hyunwoo; Yen, Cindy; Preston, Philippa; Chin, Jik","Substrate-directed stereoselectivity in vicinal diamine-catalyzed synthesis of warfarin.","Organic letters","2006","8","23","5239","5242","10.1021/ol062000v","","","1.54178","CuKα","","0.1834","0.0836","","","0.1979","0.2497","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506241","12.29","0.03","9.62","0.02","12.49","0.03","90","","100.76","0.03","90","","1451","6","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl2 N2 O8 S -","- C25 H28 Cl2 N2 O8 S -","- C50 H56 Cl4 N4 O16 S2 -","2","1","","Li, Pixu; Forbeck, Erin M.; Evans, Cory D.; Joullié, Madeleine M","Trisubstituted aziridine ring-opening by phenol derivatives: stereo- and regioselective formation of chiral tertiary alkyl-aryl ethers.","Organic letters","2006","8","22","5105","5107","10.1021/ol062010w","","","0.71069","MoKα","","0.0921","0.0597","","","0.1435","0.2006","","","","","","0.967","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506242","27.991","0.007","27.991","0.007","20.057","0.007","90","","90","","120","","13609","7","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H56 Cl2 N4 O12 -","- C42 H56 Cl2 N4 O12 -","- C378 H504 Cl18 N36 O108 -","9","1","","Hong, Wen-Xu; Chen, Ling-Jun; Zhong, Chun-Long; Yao, Zhu-Jun","Bidirectional synthesis of the central amino acid of chloptosin.","Organic letters","2006","8","21","4919","4922","10.1021/ol0620139","","","0.71073","MoKα","","0.2038","0.0963","","","0.2328","0.2847","","","","","","0.859","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506243","20.5365","0.0005","5.2508","0.0001","26.4263","0.0006","90","","90","","90","","2849.63","0.11","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0508","0.0382","","0.0535","0.0468","0.0468","","","","","","1.1106","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506244","7.7435","0.0003","10.657","0.0003","18.3316","0.0004","95.443","0.0018","97.0565","0.0018","103.869","0.0014","1445.36","0.08","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0621","0.0439","","0.0627","0.0548","0.0548","","","","","","1.0935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506245","7.9681","0.0002","10.7207","0.0003","18.021","0.0003","96.5216","0.0015","98.1632","0.0017","104.245","0.0013","1459.16","0.06","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0702","0.0419","","0.0747","0.0537","0.0537","","","","","","1.0874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506246","13.7213","0.0009","7.7011","0.0006","19.5546","0.0013","90","","110.252","0.004","90","","1938.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O5 -","- C22 H15 N3 O5 -","- C88 H60 N12 O20 -","4","1","","Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping","Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.","Organic letters","2006","8","21","4927","4930","10.1021/ol062022h","","","0.71073","MoKα","","0.0797","0.0511","","","0.13","0.1509","","","","","","1.026","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506247","9.712","0.005","27.09","0.005","7.598","0.005","90","","103.46","0.005","90","","1944.1","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping","Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.","Organic letters","2006","8","21","4927","4930","10.1021/ol062022h","","","0.71069","MoKα","","0.1316","0.119","","","0.3701","0.3792","","","","","","1.168","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506248","4.4469","0.0004","11.4613","0.001","26.073","0.002","90","","93.528","0.002","90","","1326.35","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.0861","0.053","","","0.1385","0.164","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506249","13.961","0.002","4.8222","0.0007","17.468","0.003","90","","108.14","0.002","90","","1117.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.0983","0.0544","","","0.126","0.1522","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506250","7.164","0.0009","20.24","0.003","9.0634","0.0013","90","","110.805","0.002","90","","1228.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.1068","0.0496","","","0.1168","0.1397","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506251","10.2921","0.0017","11.3599","0.0019","17.186","0.003","74.811","0.002","77.22","0.002","76.606","0.002","1858.6","0.5","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C39 H46 Cl4 N4 Pd -","- C39 H46 Cl4 N4 Pd -","- C78 H92 Cl8 N8 Pd2 -","2","1","","Xu, Linlin; Ferrence, Gregory M.; Lash, Timothy D.","[22]Porphyrin-(3.1.1.3), a new vinylogous expanded porphyrin system.","Organic letters","2006","8","22","5113","5116","10.1021/ol062043b","","x-ray","0.71073","MoKα","","0.0725","0.0573","","","0.1579","0.1708","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506252","13.9922","0.0013","15.3095","0.0014","8.5436","0.0008","90","","98.035","0.002","90","","1812.2","0.3","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","1","","Lauchli, Ryan; Shea, Kenneth J.","A synthesis of the welwistatin core.","Organic letters","2006","8","23","5287","5289","10.1021/ol0620747","","","0.71073","MoKα","","0.0463","0.0342","","","0.0854","0.0945","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506253","6.0057","0.0006","12.2328","0.0012","25.351","0.003","90","","90.591","0.005","90","","1862.4","0.3","190","2","190","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Wang, Yi; Burton, Donald J.","Site-specific preparation of 2-carboalkoxy-4-substituted naphthalenes and 9-alkylphenanthrenes and evidence for an allene intermediate in the novel base-catalyzed cyclization of 2-alkynylbiphenyls.","Organic letters","2006","8","23","5295","5298","10.1021/ol0620850","","","0.71069","MoKα","","0.0688","0.043","","","0.0936","0.1043","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506254","9.4787","0.0001","9.6895","0.0001","27.4742","0.0003","90","","90","","90","","2523.34","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1058","","","- C27 H22 Cl Cu N5 O4 -","- C27 H22 Cl Cu N5 O4 -","- C108 H88 Cl4 Cu4 N20 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0288","0.0248","","0.062","","0.0607","","","1.046","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506255","10.0378","0.0001","17.8225","0.0001","19.2315","0.0002","90","","90","","90","","3440.49","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1057","","","- C28 H23 Cl4 N5 Ni O4 -","- C28 H23 Cl4 N5 Ni O4 -","- C112 H92 Cl16 N20 Ni4 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0457","0.0391","","0.0993","","0.0961","","","1.042","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506256","14.489","0.001","9.618","0.001","23.916","0.002","90","","91.48","0.004","90","","3331.7","0.5","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1208","","","- C36 H29 D3 N6 O4 S Zn -","- C36 H29 D3 N6 O4 S Zn -","- C144 H116 D12 N24 O16 S4 Zn4 -","4","2","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0468","0.0376","","","0.0867","0.0901","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506257","9.3015","0.0001","15.645","0.0002","23.0613","0.0003","90","","95.222","0.004","90","","3342","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1123","","","- C75 H58 D8 N10 O8 S2 Zn2 -","- C75 H58 D8 N10 O8 S2 Zn2 -","- C150 H116 D16 N20 O16 S4 Zn4 -","2","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0581","0.044","","0.1021","","0.0961","","","1.056","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506258","23.446","0.016","23.446","0.016","14.036","0.014","90","","90","","120","","6682","9","293","2","293","2","","","","","","","","3","P 65","P 65","170","xylogranatin A","","","- C38 H50 O14 -","- C38 H50 O14 -","- C228 H300 O84 -","6","1","","Yin, Sheng; Fan, Cheng-Qi; Wang, Xiao-Ning; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Xylogranatins A-D: novel tetranortriterpenoids with an unusual 9,10-seco scaffold from marine mangrove Xylocarpus granatum.","Organic letters","2006","8","21","4935","4938","10.1021/ol062101t","","","0.71073","MoKα","","0.119","0.0806","","","0.2035","0.2233","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506259","10.9275","0.0014","11.0354","0.0011","14.5086","0.0015","92.193","0.001","100.377","0.002","96.85","0.001","1705.5","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 N2 O11 -","- C34 H41 N2 O11 -","- C68 H82 N4 O22 -","2","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0631","0.0591","","","0.1498","0.1525","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506260","19.514","0.002","16.3891","0.0019","27.727","0.003","90","","101.243","0.002","90","","8697.4","1.6","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H118 N4 O24 -","- C88 H118 N4 O24 -","- C352 H472 N16 O96 -","4","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0832","0.0761","","","0.2031","0.2085","","","","","","1.113","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506261","11.177","0.002","14.03","0.002","14.477","0.002","90","","90","","90","","2270.2","0.6","287","2","287","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0909","0.0426","","","0.0915","0.0988","","","","","","0.939","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506262","8.192","0.002","7.778","0.002","17.823","0.004","90","","99.82","0.02","90","","1119","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0749","0.0466","","","0.1232","0.1318","","","","","","0.992","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506263","27.369","0.002","6.226","0.0005","25.329","0.0018","90","","90.231","0.001","90","","4316","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C184 H256 N16 O40 -","8","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0465","0.0372","","","0.0958","0.0991","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506264","6.4308","0.0003","14.8616","0.0007","29.0316","0.0014","90","","90","","90","","2774.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl3 F3 N2 O6 S -","- C23 H26 Cl3 F3 N2 O6 S -","- C92 H104 Cl12 F12 N8 O24 S4 -","4","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0299","0.0284","","","0.0733","0.0744","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506265","12.0169","0.0002","15.9703","0.0003","16.131","0.0003","63.823","0.001","70.256","0.001","78.903","0.001","2611.45","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H69 Cl3 O12 -","- C53 H69 Cl3 O12 -","- C106 H138 Cl6 O24 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","0.71703","","","0.1476","0.0971","","","0.2065","0.2365","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506266","14.0187","0.0004","14.4583","0.0004","16.5822","0.0005","65.075","0.002","75.326","0.002","77.921","0.002","2928.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H85 N3 O14 -","- C62 H85 N3 O14 -","- C124 H170 N6 O28 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54184","CuKα","","0.0705","0.0587","","","0.1551","0.1659","","","","","","1.035","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506267","17.3738","0.0006","15.9352","0.0005","24.4132","0.0008","90","","91.8","0.002","90","","6755.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 F12 K2 N2 O15 P2 -","- C60 H84 F12 K2 N2 O15 P2 -","- C240 H336 F48 K8 N8 O60 P8 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.0962","0.0764","","","0.2042","0.2226","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506268","33.394","0.001","15.559","0.001","24.951","0.001","90","","101.11","0.01","90","","12721","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 F6 Na O16 P -","- C62 H88 F6 Na O16 P -","- C496 H704 F48 Na8 O128 P8 -","8","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.0969","0.0669","","","0.1592","0.1808","","","","","","1.057","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506269","33.607","0.001","15.5535","0.0005","24.7751","0.0008","90","","101.153","0.001","90","","12705.5","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Cl Na O20 -","- C62 H88 Cl Na O20 -","- C496 H704 Cl8 Na8 O160 -","8","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.1225","0.0828","","","0.2166","0.252","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506270","14.792","0.003","10.495","0.002","16.383","0.003","90","","95.915","0.005","90","","2529.8","0.8","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 -","- C36 H26 -","- C144 H104 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.","Organic letters","2006","8","23","5317","5320","10.1021/ol062189a","","","0.71073","MoKα","","0.2298","0.0715","","","0.1321","0.1827","","","","","","0.792","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506271","13.4196","0.0016","11.1258","0.0013","18.781","0.002","90","","93.243","0.002","90","","2799.6","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 -","- C38 H30 -","- C152 H120 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.","Organic letters","2006","8","23","5317","5320","10.1021/ol062189a","","","0.71073","MoKα","","0.1341","0.0541","","","0.1276","0.1499","","","","","","0.83","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506272","10.675","0.002","11.455","0.003","12.152","0.003","94.968","0.004","95.671","0.004","117.303","0.004","1299.3","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 O3 P -","- C30 H37 O3 P -","- C60 H74 O6 P2 -","2","1","","Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias","Intramolecular arene epoxidation by phosphadioxiranes.","Organic letters","2006","8","22","5125","5128","10.1021/ol0622007","","x-ray","0.71073","MoKα","","0.0937","0.0645","","","0.1579","0.1661","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506273","10.999","0.006","11.201","0.006","21.538","0.012","90","","100.571","0.009","90","","2608","2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N O2 P -","- C30 H24 N O2 P -","- C120 H96 N4 O8 P4 -","4","1","","Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias","Intramolecular arene epoxidation by phosphadioxiranes.","Organic letters","2006","8","22","5125","5128","10.1021/ol0622007","","","0.71073","MoKα","","0.0974","0.0777","","","0.2286","0.2424","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506274","7.2566","0.0002","8.17537","0.00018","16.3566","0.0007","92.313","0.001","100.627","0.001","103.381","0.001","924.32","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","","Paravidino, Monica; Bon, Robin S.; Scheffelaar, Rachel; Vugts, Danielle J.; Znabet, Anass; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Groen, Marinus B.; Orru, Romano V. A.","Diastereoselective multicomponent synthesis of dihydropyridones with an isocyanide functionality.","Organic letters","2006","8","23","5369","5372","10.1021/ol062204b","","","0.71073","MoKα","","0.0579","0.0437","","","0.1015","0.11","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506275","6.5663","0.0005","7.983","0.0006","20.8615","0.0017","90","","98.819","0.001","90","","1080.61","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F N S -","- C11 H10 F2 N2 S -","- C44 H40 F8 N8 S4 -","4","1","","Xu, Wei; Abboud, Khalil A.; Ghiviriga, Ion; Dolbier, Jr, William R; Rapp, Magdalena; Wnuk, Stanislaw F.","An unexpected reaction of trimethylsilyl fluorosulfonyldifluoroacetate (TFDA) with imidazoles. Formation of N-difluoromethylthioureas.","Organic letters","2006","8","24","5549","5551","10.1021/ol062213k","","","0.71073","MoKα","","0.0412","0.0365","","","0.1055","0.1089","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506276","12.3111","0.0002","10.7924","0.0002","14.003","0.0002","90","","114.56","0.0011","90","","1692.2","0.05","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl4 O -","- C16 H20 Cl4 O -","- C64 H80 Cl16 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0395","0.0249","","0.0354","0.03","0.03","","","","","","1.0835","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506277","6.6694","0.0002","10.1604","0.0003","12.2442","0.0003","100.632","0.0019","94.9445","0.0017","94.3746","0.0018","808.83","0.04","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C16 H20 Cl4 O -","- C16 H20 Cl4 O -","- C32 H40 Cl8 O2 -","2","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.035","0.0272","","0.0383","0.0332","0.0332","","","","","","1.0552","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506278","6.6142","0.0001","12.218","0.0003","19.1863","0.0004","90","","92.6086","0.0015","90","","1548.88","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl3 O -","- C16 H19 Cl3 O -","- C64 H76 Cl12 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0392","0.024","","0.0349","0.0282","0.0282","","","","","","1.1022","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506279","15.7868","0.0003","6.466","0.0001","16.3562","0.0003","90","","99.0435","0.0011","90","","1648.84","0.05","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl3 O -","- C17 H21 Cl3 O -","- C68 H84 Cl12 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0394","0.027","","0.0382","0.0316","0.0316","","","","","","1.0654","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506280","6.6052","0.0002","16.5809","0.0005","19.2553","0.0006","111.316","0.0013","93.605","0.002","99.927","0.002","1916.96","0.1","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C18 H21 Cl5 O -","- C18 H21 Cl5 O -","- C72 H84 Cl20 O4 -","4","2","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0878","0.0517","","0.0504","0.0452","0.0452","","","","","","1.0263","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506281","15.461","0.001","5.7223","0.0003","17.076","0.001","90","","96.684","0.002","90","","1500.49","0.15","193.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H6 F6 S3 -","- C15.83 H6 F6 S2.69 -","- C63.32 H24 F24 S10.76 -","4","1","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.047","","","","0.117","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506282","34.977","0.002","5.7994","0.0003","15.474","0.001","90","","110.238","0.002","90","","2945.1","0.3","200.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H10 F12 S6 -","- C31.22 H10 F12 S5.62 -","- C124.88 H40 F48 S22.48 -","4","0.5","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.0832","","","","0.2449","","","","","","2.898","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506283","8.463","0.0017","9.365","0.0019","26.305","0.005","90","","90","","90","","2084.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N3 O3 -","- C23 H22 N4 O5 -","- C92 H88 N16 O20 -","4","1","","Jiao, Rui H.; Xu, Shu; Liu, Jun Y.; Ge, Hui M.; Ding, Hui; Xu, Chen; Zhu, Hai L.; Tan, Ren X.","Chaetominine, a cytotoxic alkaloid produced by endophytic Chaetomium sp. IFB-E015.","Organic letters","2006","8","25","5709","5712","10.1021/ol062257t","","","0.71073","MoKα","","0.1707","0.1026","","","0.2805","0.3484","","","","","","1.154","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506284","12.087","0.003","7.895","0.002","19.07","0.005","90","","106.047","0.004","90","","1748.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Du, Yunfei; Liu, Renhe; Linn, Gregory; Zhao, Kang","Synthesis of N-substituted indole derivatives via PIFA-mediated intramolecular cyclization.","Organic letters","2006","8","26","5919","5922","10.1021/ol062288o","","","0.71073","MoKα","","0.0971","0.0467","","","0.1088","0.1329","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506285","7.942","0.005","10.334","0.006","19.787","0.012","90","","92.16","0.05","90","","1622.8","1.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O7 -","- C37 H52 N2 O7 -","- C74 H104 N4 O14 -","2","1","","Kushiro, Tetsuo; Hoshino, Masaki; Tsutsumi, Takehiko; Kawai, Ken-ichi; Shiro, Motoo; Shibuya, Masaaki; Ebizuka, Yutaka","Stereochemical course in water addition during LUP1-catalyzed triterpene cyclization.","Organic letters","2006","8","24","5589","5592","10.1021/ol062310d","","","0.71075","MoKα","","","0.053","","","","0.112","","","","","","0.986","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506286","9.397","0.0007","13.512","0.0005","13.991","0.001","90","","100.976","0.003","90","","1743.97","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5.33 H6.22 N2.67 O0.89 S0.89 -","- C5.33333 H8 N2.66667 O0.888889 S0.888889 -","- C48 H72 N24 O8 S8 -","9","2.25","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0661","0.0438","","","0.1215","0.1318","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506287","6.4264","0.0008","9.4444","0.0011","13.293","0.0016","90","","96.777","0.002","90","","801.16","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.039","0.0376","","","0.1007","0.1019","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506288","9.2416","0.001","8.772","0.0009","15.567","0.0016","90","","90","","90","","1262","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H10 Cl3 N3 O S -","- C7 H10 Cl3 N3 O S -","- C28 H40 Cl12 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0397","0.0389","","","0.0952","0.0958","","","","","","1.124","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506289","5.646","0.001","8.78","0.002","14.507","0.002","104.262","0.018","91.69","0.02","96.25","0.02","691.6","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","8,8'-bis(9-benzyl-6-phenylpurine)","","- C36 H26 N8 -","- C36 H26 N8 -","- C36 H26 N8 -","1","0.5","","Cerna, Igor; Pohl, Radek; Klepetarová, Blanka; Hocek, Michal","Direct C-H arylation of purines: development of methodology and its use in regioselective synthesis of 2,6,8-trisubstituted purines.","Organic letters","2006","8","23","5389","5392","10.1021/ol062324j","","x-ray","1.54184","CuKα","","0.0435","0.0414","","0.0475","0.0469","0.0469","","","","","","1.1154","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506290","10.1257","0.0008","10.4037","0.0008","11.2572","0.0009","101.247","0.007","114.349","0.008","106.926","0.007","963.7","0.18","150","","150","","","","","","","","","3","P -1","-P 1","2","","9-Benzyl-6-phenyl-8-(4-methylphenyl)purine","","- C25 H20 N4 -","- C25 H20 N4 -","- C50 H40 N8 -","2","1","","Cerna, Igor; Pohl, Radek; Klepetarová, Blanka; Hocek, Michal","Direct C-H arylation of purines: development of methodology and its use in regioselective synthesis of 2,6,8-trisubstituted purines.","Organic letters","2006","8","23","5389","5392","10.1021/ol062324j","","","1.5418","CuKα","","0.0549","0.0492","","0.0591","0.0562","0.0562","","","","","","1.1423","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506291","13.641","0.003","16.424","0.003","12.005","0.002","90","","94.29","0.03","90","","2682.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N4 O5 S -","- C29 H30 N4 O5 S -","- C116 H120 N16 O20 S4 -","4","1","","Kaiser, Hanns Martin; Lo, Wei Fun; Riahi, Abdol Majid; Spannenberg, Anke; Beller, Matthias; Tse, Man Kin","New synthetic protocols for the preparation of unsymmetrical bisindoles","Organic letters","2006","8","25","5761","5764","10.1021/ol062338p","","","0.71073","MoKα","","0.0879","0.0424","","","0.0816","0.0901","","","","","","0.81","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506292","9.6694","0.0001","13.3238","0.0002","13.8318","0.0002","90","","90","","90","","1781.99","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 O6 -","- C17 H21 F3 O6 -","- C68 H84 F12 O24 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0571","0.0443","","","0.103","0.1132","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506293","6.6648","0.0001","8.1816","0.0002","18.7439","0.0004","90","","90","","90","","1022.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N O -","- C9 H10 F3 N O -","- C36 H40 F12 N4 O4 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0538","0.0416","","","0.1018","0.111","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506294","16.871","0.005","22.046","0.006","22.462","0.006","90","","103.148","0.006","90","","8135","4","125","2","125","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Cyclo-octafurans","","","- C88 H16 F40 O8 -","- C88 H16 F40 O8 -","- C352 H64 F160 O32 -","4","1","","Reddy, J. Sreedhar; Mandal, Sukhendu; Anand, Venkataramanarao G.","Cyclic oligofurans: one-pot synthesis of 30pi and 40pi expanded porphyrinoids.","Organic letters","2006","8","24","5541","5543","10.1021/ol062359j","","","0.71073","MoKα","","0.1468","0.0995","","","0.1754","0.1934","","","","","","1.19","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506295","5.1126","0.0006","13.096","0.002","14.347","0.002","90","","90","","90","","960.6","0.2","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.071","","","","0.1425","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506296","8.049","0.004","10.286","0.006","12.388","0.007","90.925","0.007","101.862","0.007","98.595","0.007","991.3","0.9","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N6 S -","- C24 H16 N6 S -","- C48 H32 N12 S2 -","2","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.0616","","","","0.1384","","","","","","1.353","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506297","9.642","0.0002","9.953","0.0002","16.2792","0.0003","97.093","0.001","92.531","0.001","97.689","0.001","1533.44","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","2","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.1087","0.0499","","","0.1175","0.1496","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506298","10.4679","0.0013","15.2299","0.0018","11.7243","0.0014","90","","101.491","0.009","90","","1831.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C88 H64 N8 O4 S4 -","4","1","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.1827","0.0739","","","0.1326","0.1597","","","","","","1.176","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506299","16.059","0.002","13.4006","0.0018","7.6695","0.0011","90","","98.68","0.001","90","","1631.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br N2 O S -","- C17 H13 Br N2 O S -","- C68 H52 Br4 N8 O4 S4 -","4","1","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.0844","0.0508","","","0.1215","0.1394","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506300","10.9577","0.0018","9.0799","0.0015","11.3076","0.0019","90","","96.931","0.002","90","","1116.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","frojm02","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Malona, John A.; Colbourne, Jessica M.; Frontier, Alison J.","A general method for the catalytic nazarov cyclization of heteroaromatic compounds.","Organic letters","2006","8","24","5661","5664","10.1021/ol062403v","","","0.71073","MoKα","","0.0392","0.0353","","","0.097","0.0999","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506301","11.0511","0.001","20.5371","0.0016","9.0441","0.0008","90","","96.047","0.004","90","","2041.2","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Duan, Xin-Hua; Guo, Li-Na; Bi, Hai-Peng; Liu, Xue-Yuan; Liang, Yong-Min","Highly regioselective synthesis of 2,3-disubstituted indenes via a novel palladium-catalyzed cyclization reaction of propargylic carbonates with carbon nucleophiles.","Organic letters","2006","8","25","5777","5780","10.1021/ol062405f","","","0.71073","MoKα","","0.0977","0.0603","","","0.1856","0.2172","","","","","","1.183","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506302","8.193","0.0007","8.974","0.0009","18.504","0.0013","89.169","0.008","81.157","0.006","72.754","0.008","1283.2","0.2","122","2","122","2","","","","","","","","3","P -1","-P 1","2","2,4,5,7-tetramethoxynaphthaldehyde","2,4,5,7-tetramethoxynaphthaldehyde","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Pittelkow, Michael; Boas, Ulrik; Christensen, Jørn B","Carbocations in action. Design, synthesis, and evaluation of a highly acid-sensitive naphthalene-based backbone amide linker for solid-phase synthesis.","Organic letters","2006","8","25","5817","5820","10.1021/ol062410j","","","0.71073","MoKα","","0.0487","0.0403","","","0.1183","0.1258","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506303","7.764","0.002","21.989","0.006","8.721","0.002","90","","94.738","0.004","90","","1483.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","","Dahl, Bart J.; Branchaud, Bruce P.","180 degree unidirectional bond rotation in a biaryl lactone artificial molecular motor prototype.","Organic letters","2006","8","25","5841","5844","10.1021/ol062428u","","","0.71073","MoKα","","0.0575","0.0447","","","0.1039","0.1134","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506304","7.7003","0.0009","12.9161","0.0015","14.763","0.0017","87.536","0.002","84.658","0.002","74.544","0.002","1408.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 F6 N4 O8 Pd2 S2 -","- C22 H18 F6 N4 O8 Pd2 S2 -","- C44 H36 F12 N8 O16 Pd4 S4 -","2","1","","Zhao, Baowei; Lu, Xiyan","Cationic palladium(II)-catalyzed addition of arylboronic acids to nitriles. One-step synthesis of benzofurans from phenoxyacetonitriles.","Organic letters","2006","8","26","5987","5990","10.1021/ol062438v","","","0.71073","MoKα","","0.0716","0.0526","","","0.118","0.1255","","","","","","0.91","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506305","16.654","0.003","17.694","0.004","17.91","0.004","77.62","0.03","64.1","0.03","89.91","0.03","4612","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.38 H37 Cl2.76 N10 O2 -","- C46.378 H37 Cl2.756 N10 O2 -","- C185.512 H148 Cl11.024 N40 O8 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.208","0.1485","","","0.4639","0.483","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506306","13.477","0.003","15.305","0.003","16.878","0.003","76.66","0.03","89.07","0.03","88.22","0.03","3385.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H27.5 Cl2 N10.5 O2.5 -","- C33.5 H27.5 Cl2 N10.5 O2.5 -","- C134 H110 Cl8 N42 O10 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.1802","0.1191","","","0.3283","0.3646","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506307","13.007","0.003","14.042","0.003","16.794","0.003","90","","90","","90","","3067.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H24 Cl2 N10 -","- C32 H24 Cl2 N10 -","- C128 H96 Cl8 N40 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.054","0.0353","","","0.0648","0.0675","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506308","26.598","0.005","9.4281","0.0019","20.033","0.004","90","","110.21","0.03","90","","4714.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H50 Cl2 N12 O4 -","- C51 H49 Cl2 N12 O4 -","- C204 H196 Cl8 N48 O16 -","4","0.5","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.0791","0.0588","","","0.1551","0.1714","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506309","16.54","0.003","8.832","0.0018","30.088","0.006","90","","104.33","0.03","90","","4258.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl2 N10 O -","- C46 H36 Cl2 N10 O -","- C184 H144 Cl8 N40 O4 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.1254","0.0634","","","0.1791","0.1959","","","","","","0.97","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506310","11.1854","0.0015","34.814","0.005","7.0886","0.001","90","","106.175","0.002","90","","2651.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Hopkins, Chad D.; Malinakova, Helena C.","Allylpalladium umpolung in the three-component coupling synthesis of homoallylic amines.","Organic letters","2006","8","26","5971","5974","10.1021/ol0624528","","","0.71073","MoKα","","0.091","0.0692","","","0.1483","0.1589","","","","","","1.089","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506311","24.468","0.002","24.214","0.003","19.3043","0.0019","90","","102.267","0.007","90","","11176","2","173.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C105.5 H143 N8 O8.5 -","- C105.5 H124 N8 O8.5 -","- C422 H496 N32 O34 -","4","0.5","","Ishibashi, Koichi; Tsue, Hirohito; Tokita, Satoshi; Matsui, Kazuhiro; Takahashi, Hiroki; Tamura, Rui","Regioselectively N-methylated azacalix[8]arene octamethyl ether prepared by catalytic aryl amination reaction using a temporal N-silylation protocol.","Organic letters","2006","8","26","5991","5994","10.1021/ol062459p","","","0.71075","MoKα","","","0.1226","","","","0.3856","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506312","5.762","0.003","9.213","0.004","38.396","0.018","90","","90","","90","","2038.3","1.7","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Williams, Amie L.; Srinivasan, Jayasree M.; Johnston, Jeffrey N.","Synthesis of an advanced intermediate en route to the mitomycin natural products.","Organic letters","2006","8","26","6047","6049","10.1021/ol0624676","","","0.71073","MoKα","","0.094","0.0638","","","0.1416","0.1577","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506313","8.6454","0.0012","10.7876","0.0017","13.704","0.002","90","","90","","90","","1278.1","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5R,6S)-2,6,7-Trimethyl-5-phenyl-1,4-dioxa-7-azaspiro[2.5]octan-8-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Pansare, Sunil V.; Adsool, Vikrant A.","Enantioselective synthesis of functionalized medium-sized oxacycles.","Organic letters","2006","8","25","5897","5899","10.1021/ol062484v","","","0.7107","MoKα","","0.0496","0.0446","","","0.1072","0.1103","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506314","29.6799","0.0003","6.1328","","16.0196","0.0003","90","","96.368","0.002","90","","2897.91","0.06","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H34 Cl N3 O6 -","- C30 H34 Cl N3 O6 -","- C120 H136 Cl4 N12 O24 -","4","1","","Mizoguchi, Jun-ichi; Kawanami, Yuko; Wada, Takehiko; Kodama, Kazuya; Anzai, Kinsei; Yanagi, Toshiharu; Inoue, Yoshihisa","Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid using a chiral N-(2-hydroxymethyl-4- pyrrolidinyl)benzamide template.","Organic letters","2006","8","26","6051","6054","10.1021/ol062501g","","","0.71069","MoKα","","","0.0559","","","","0.1129","","","","","","0.98","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506315","8.7336","0.0017","7.8955","0.0016","14.484","0.003","90","","95.04","0.03","90","","994.9","0.4","293","2","293","2","","","101","","","","Synthetic","5","P 1 c 1","P -2yc","7","Hydrazine Derivative","(E)-N-phthalyl-2-(3-chlorophenyl)-2-phenylcyclobutylidene hydrazine","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C48 H34 Cl2 N4 O4 -","2","1","","Liang, Yong; Jiao, Lei; Wang, Yuanyuan; Chen, Yuanyuan; Ma, Linge; Xu, Jiaxi; Zhang, Shiwei; Yu, Zhi-Xiang","Nitrene equivalent mediated metal-free ring expansions of alkylidenecyclopropanes and an alkylidenecyclobutane.","Organic letters","2006","8","25","5877","5879","10.1021/ol062504t","","x-ray","0.71073","MoKα","","0.05","0.0393","","","0.0914","0.0947","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506316","9.544","0.002","11.546","0.003","10.453","0.003","90","0.0008","107.808","0.0009","90","0.0008","1096.7","0.5","123","2","123","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 -","- C32 H26 -","- C64 H52 -","2","0.5","","Ohkubo, Kei; Iwata, Ryosuke; Miyazaki, Soushi; Kojima, Takahiko; Fukuzumi, Shunichi","Photocatalytic formation of dimethyllepidopterene from 9,10-dimethylanthracene via electron-transfer oxidation.","Organic letters","2006","8","26","6079","6082","10.1021/ol062554y","","","0.7107","MoKα","","0.0498","0.0396","","","0.0988","0.1054","","","","","","1.121","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506317","16.235","0.003","18.066","0.003","18.447","0.003","104.899","0.003","114.991","0.003","93.152","0.003","4655.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H39 Cl9 N2 O16 -","- C104 H39 Cl9 N2 O16 -","- C208 H78 Cl18 N4 O32 -","2","1","","Chuang, Shih-Ching; Khan, Saeed I.; Rubin, Yves","Switch of electronic reactivity in fullerene C60: activation of three trans-4 positions via temporary saturation of the cis-1 positions.","Organic letters","2006","8","26","6075","6078","10.1021/ol0625637","","","0.71073","MoKα","","0.155","0.0657","","","0.1514","0.1758","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506318","6.4138","0.0005","10.5196","0.0009","17.152","0.0014","90","","99.808","0.001","90","","1140.34","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H10 F2 N2 O4 S -","- C9 H9.5 F2.2 N2 O4 S -","- C36 H38 F8.8 N8 O16 S4 -","4","2","","Zheng, Feng; Zhang, Xiao-Hua; Qiu, Xiao-Long; Zhang, Xingang; Qing, Feng-Ling","Synthesis of L-beta-3'-deoxy-3',3'-difluoro-4'-thionucleosides.","Organic letters","2006","8","26","6083","6086","10.1021/ol062576k","","","0.71073","MoKα","","0.0618","0.0583","","","0.1624","0.1704","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506319","24.442","0.007","13.34","0.003","13.024","0.003","90","","95.52","0.02","90","","4226.9","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2","1-Methyl-1-phenyl-dithieno[3,2-b:2',3'-d]phospholium triflate","","- C14 H18.38 F2.63 O2.63 P0.88 S3 -","- C16 H12 F3 O3 P S3 -","- C128 H96 F24 O24 P8 S24 -","8","1","","Durben, Stefan; Dienes, Yvonne; Baumgartner, Thomas","Cationic dithieno[3,2-b:2',3'-d]phospholes: a new building block for luminescent, conjugated polyelectrolytes.","Organic letters","2006","8","25","5893","5896","10.1021/ol062580w","","","0.71073","MoKα","","0.1222","0.0773","","","0.1888","0.204","","","","","","1.14","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1506320","23.721","0.003","23.721","0.003","12.93","0.003","90","","90","","120","","6300.8","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","Boc-(S,S)-c3diPhe-(R,R)-c3diPhe-NHiPr","","- C40 H43 N3 O4 -","- C40 H43 N3 O4 -","- C240 H258 N18 O24 -","6","1","","Crisma, Marco; Toniolo, Claudio; Royo, Soledad; Jiménez, Ana I; Cativiela, Carlos","A helical, aromatic, peptide nanotube.","Organic letters","2006","8","26","6091","6094","10.1021/ol062600u","","","1.54178","CuKα","","0.0744","0.0605","","","0.1594","0.1708","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506321","5.9829","0.0011","7.272","0.0014","41.691","0.008","90","","90","","90","","1813.9","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F3 O4 -","- C18 H16 Br F3 O4 -","- C72 H64 Br4 F12 O16 -","4","1","","Zhao, Jun-Ling; Liu, Li; Sui, Yong; Liu, Yu-Liang; Wang, Dong; Chen, Yong-Jun","Catalytic and highly enantioselective Friedel-Crafts alkylation of aromatic ethers with trifluoropyruvate under solvent-free conditions.","Organic letters","2006","8","26","6127","6130","10.1021/ol0626037","","","0.71073","MoKα","","0.0578","0.051","","","0.1723","0.1776","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506322","9.8623","0.0007","10.1661","0.0008","24.4608","0.0017","90","","90","","90","","2452.5","0.3","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl2 Cu N6 O2 -","- C22 H30 Cl2 Cu N6 O2 -","- C88 H120 Cl8 Cu4 N24 O8 -","4","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.039","0.0344","","","0.0806","0.0817","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506323","12.0986","0.0018","12.7138","0.0018","13.3209","0.0017","77.309","0.016","81.44","0.016","74.732","0.017","1919.4","0.5","123","","123","1","","","","","","","see text","6","P 1","P 1","1","","","","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","1","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.0919","0.0748","","","0.2015","0.2104","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506324","11.1077","0.0006","11.1077","0.0006","24.942","0.003","90","","90","","120","","2665.1","0.4","150","","150","","","","","","","","","6","P 32","P 32","145","[Rh(dtbpb)(nbd)]PF6","[Bis(di-tert-butylphosphino-κ2,P,P)benzene](norbornadiene)rhodium(I) PF6","","- C33 H56 F6 O P3 Rh -","- C33 H56 F6 O P3 Rh -","- C99 H168 F18 O3 P9 Rh3 -","3","1","","Yamamoto, Yoshikazu; Koizumi, Toru; Katagiri, Kosuke; Furuya, Yui; Danjo, Hiroshi; Imamoto, Tsuneo; Yamaguchi, Kentaro","Facile synthesis of highly congested 1,2-diphosphinobenzenes from bis(phosphine)boronium salts.","Organic letters","2006","8","26","6103","6106","10.1021/ol062717i","","x-ray","0.71073","MoKα","","0.0588","0.0495","","","0.1129","0.12","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1508977","10.53","","10.53","","10.53","","90","","90","","90","","1167.58","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Silver iron tin sulfide (0.5/1.5/1.5/4)","","- Ag0.5 Fe1.5 S4 Sn -","- Ag0.5 Fe1.5 S4 Sn -","- Ag4 Fe12 S32 Sn8 -","8","0.0416667","","Harada, S.","Some new sulfo-spinels containing iron-group transition metals","Materials Research Bulletin","1973","8","","1361","1370","10.1016/0025-5408(73)90020-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508983","3.872","","3.872","","3.872","","90","","90","","90","","58.051","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Silver indium lanthanun (0.5/0.5/1)","","- Ag0.5 In0.5 La -","- Ag0.5 In0.5 La -","- Ag0.5 In0.5 La -","1","0.0208333","","Methfessel, S.; Ihrig, H.; Kuebler, J.; Vigren, D.T.","Cubic -to-tetragonal transformation and susceptibility in La Agx In1-x alloys","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1973","8","","4525","4533","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509018","4.133","","4.133","","4.036","","90","","90","","120","","59.705","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Silver dysprosium silicon (0.67/1.33/1)","","- Ag0.67 Dy Si1.33 -","- Ag0.666 Dy Si1.334 -","- Ag0.666 Dy Si1.334 -","1","0.0416667","","Felner, I.; Mayer, I.","The AlB2-structure in the Eu Mx Si2-x system","Journal of Solid State Chemistry","1973","8","","355","356","10.1016/S0022-4596(73)80033-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509019","4.196","","4.196","","4.095","","90","","90","","120","","62.439","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Erbium silver silicide (1/0.67/1.33)","","- Ag0.67 Er Si1.33 -","- Ag0.66 Er Si1.34 -","- Ag0.66 Er Si1.34 -","1","0.0416667","","Felner, I.; Mayer, I.","The Al B2 structure in the Eu Mx Si2-x-system","Journal of Solid State Chemistry","1973","8","","355","356","10.1016/S0022-4596(73)80033-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509034","4.1556","","4.1556","","4.1556","","90","","90","","90","","71.763","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Silver cadmium indium (0.75/0.1/0.15)","","- Ag0.75 Cd0.1 In0.15 -","- Ag0.75 Cd0.1 In0.15 -","- Ag3 Cd0.4 In0.6 -","4","0.0208333","","Reddy, S.V.; Suryanarayana, S.V.","X-ray line profile analysis of silver based Ag-Cd-In alloys","Bulletin of Materials Science (Bangalore)","1986","8","","61","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509184","3.739","","3.739","","3.811","","90","","90","","90","","53.278","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ag Ce -","- Ag Ce -","- Ag Ce -","1","0.0625","","Morin, P.; Schmitt, D.; Pierre, J.","Magnetic structure and crystal field in cerium compounds","Journal of Magnetism and Magnetic Materials","1978","8","","249","256","10.1016/0304-8853(78)90128-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509324","10.756","","10.905","","10.456","","95.96","","108.94","","81.29","","1144.69","","","","","","","","","","","","","6","P -1","-P 1","2","","Ag (S8)2 (Sb (O Te F5)6)","","- Ag F30 O6 S16 Sb Te6 -","- Ag F30 O6 S16 Sb Te6 -","- Ag F30 O6 S16 Sb Te6 -","1","0.5","","Decken, A.; Passmore, J.; Krossing, I.; Cameron, T.S.; Min Fang; Dionne, I.","Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state","Chemistry - A European Journal","2002","8","","3386","3401","10.1002/1521-3765(20020802)8:15<3386::AID-CHEM3386>3.0.CO;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509329","17.535","","7.8465","","15.675","","90","","102.652","","90","","2104.33","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag (S8)2 (Sb F6)","","- Ag F6 S16 Sb -","- Ag F6 S16 Sb -","- Ag4 F24 S64 Sb4 -","4","0.5","","Cameron, T.S.; Decken, A.; Passmore, J.; Dionne, I.; Min Fang; Krossing, I.","Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state","Chemistry - A European Journal","2002","8","","3386","3401","10.1002/1521-3765(20020802)8:15<3386::AID-CHEM3386>3.0.CO;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509470","8.05","","10.77","","10.76","","90","","90","","90","","932.876","","","","","","","","","","","","","4","F d d d :1","F 2 2 -1d","70","","Ag Na (N O2)2","","- Ag N2 Na O4 -","- Ag N2 Na O4 -","- Ag8 N16 Na8 O32 -","8","0.25","","Ishida, K.; Mitsui, T.","Structural studies of the phase transition in Ag Na (N O2)2","Ferroelectrics","1974","8","","475","476","10.1080/00150197408234130","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509682","5.0488","","2.9149","","8.205","","90","","101.836","","90","","118.184","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ag2 Ni O2 -","- Ag2 Ni O2 -","- Ag4 Ni2 O4 -","2","0.25","","Wedig, U.; Nuss, J.; Modrow, H.; Adler, P.; Jansen, M.","Studies on the electronic structure of Ag2 Ni O2, an intercalated delafossite containing subvalent silver","Solid State Sciences","2006","8","","753","763","10.1016/j.solidstatesciences.2006.04.004","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509761","5.983","","6.3239","","9.5762","","90","","90","","90","","362.324","","","","","","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","1","","Oberndorfer, C.P.M.; Dinnebier, R.E.; Ibberson, R.M.; Jansen, M.","Charge ordering in Ag2 Bi O3","Solid State Sciences","2006","8","","267","276","10.1016/j.solidstatesciences.2006.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509763","5.95492","","6.31001","","9.58082","","90","","92.4823","","90","","359.667","","","","","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Ag2 Bi O3 -","- Ag2 Bi O3 -","- Ag8 Bi4 O12 -","4","2","","Dinnebier, R.E.; Jansen, M.; Ibberson, R.M.; Oberndorfer, C.P.M.","Charge ordering in Ag2 Bi O3","Solid State Sciences","2006","8","","267","276","10.1016/j.solidstatesciences.2006.02.002","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509994","12.288","","12.288","","12.288","","90","","90","","90","","1855.43","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ag9 Cs2.9 (Al12 Si12 O48)","","- Ag9 Al12 Cs2.9 O48 Si12 -","- Ag9.002 Al12 Cs2.901 O48 Si12 -","- Ag9.002 Al12 Cs2.901 O48 Si12 -","1","0.0208333","","Seff, K.; Kim, Y.","Silver ions in zeolite A are reduced by H2 only at high temperatures when 8-rings are blocked by Cs+. Crystal structures of dehydrated Ag9 Cs3-A treated with H2 at 23, 310, and 470 C","Bulletin of the Korean Chemical Society","1987","8","","69","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510146","7.496","","7.496","","7.315","","90","","90","","120","","355.962","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K (Au F6)","","- Au F6 K -","- Au F6 K -","- Au3 F18 K3 -","3","0.0833333","","Mazej, Z.; Goreshnik, E.","X-ray single crystal structures of Cd (Au F6)2, Mg (H F) Au F4 Au F6 and K Au F6 and vibrational spectra of Cd (Au F6)2 and K Au F6","Solid State Sciences","2006","8","","671","677","10.1016/j.solidstatesciences.2006.02.032","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510228","6.5652","","6.5652","","6.5652","","90","","90","","90","","282.972","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Lu Au Sn","","- Au Lu Sn -","- Au Lu Sn -","- Au4 Lu4 Sn4 -","4","0.0416667","","Poettgen, R.; Rayaprol, S.; Sebastian, C.P.; Hoffmann, R.D.; Eckert, H.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510229","4.15","","4.15","","4.515","","90","","90","","120","","67.342","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Eu (Au0.5 Si1.5)","","- Au0.5 Eu Si1.5 -","- Au0.5 Eu Si1.5 -","- Au0.5 Eu Si1.5 -","1","0.0416667","","Felner, I.; Mayer, I.","The Al B2 structure in the Eu Mx Si2-x system","Journal of Solid State Chemistry","1973","8","","355","356","10.1016/S0022-4596(73)80033-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510276","7.21","","5.04","","9.25","","90","","90","","90","","336.13","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Pr2 -","- Au Pr2 -","- Au4 Pr8 -","4","0.5","","Gschneidner, K.A.jr.; Duwez, P.; Griffin, R.B.","Effect of the sixth period elements on the melting and transformation temperatures of praseodymium","Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.)","1970","8","","7","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510293","6.4194","","6.4194","","6.4194","","90","","90","","90","","264.535","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Sc Au Sn","","- Au Sc Sn -","- Au Sc Sn -","- Au4 Sc4 Sn4 -","4","0.0416667","","Rayaprol, S.; Sebastian, C.P.; Poettgen, R.; Hoffmann, R.D.; Eckert, H.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510305","4.6355","","4.6355","","7.3726","","90","","90","","120","","137.197","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Y Au Sn","","- Au Sn Y -","- Au Sn Y -","- Au2 Sn2 Y2 -","2","0.166667","","Eckert, H.; Sebastian, C.P.; Hoffmann, R.D.; Poettgen, R.; Rayaprol, S.","Crystal chemistry and spectroscopic properties of Sc Au Sn, Y Au Sn, and Lu Au Sn","Solid State Sciences","2006","8","","560","566","10.1016/j.solidstatesciences.2006.01.005","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510372","11.167","","8.7666","","10.08","","90","","118.026","","90","","871.081","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cd (Au F6)2","","- Au2 Cd F12 -","- Au2 Cd F12 -","- Au8 Cd4 F48 -","4","0.5","","Mazej, Z.; Goreshnik, E.","X-ray single crystal structures of Cd (Au F6)2, Mg (H F) Au F4 Au F6 and K Au F6 and vibrational spectra of Cd (Au F6)2 and K Au F6","Solid State Sciences","2006","8","","671","677","10.1016/j.solidstatesciences.2006.02.032","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510464","2.9305","","2.9305","","4.7761","","90","","90","","120","","35.521","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Au0.85 Sn0.15 -","- Au0.85 Sn0.15 -","- Au1.7 Sn0.3 -","2","0.0833333","","King, H.W.; Massalski, T.B.","The lattice spacing relationships in close-packed alpha and zeta phases based on gold","Acta Metallurgica","1960","8","","677","683","10.1016/0001-6160(60)90198-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510640","3.069","","3.069","","3.112","","90","","90","","120","","25.384","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cr0.6 Mo0.4) B2","","- B2 Cr0.6 Mo0.4 -","- B2 Cr0.6 Mo0.4 -","- B2 Cr0.6 Mo0.4 -","1","0.0416667","","Nishihara, Y.; Yamaguchi, Y.; Tokumoto, M.; Ogawa, S.","Magneto-volume effect of the interant-electron antiferromatgnet Cr B2","Poroshkovaya Metallurgiya","1969","8","","403","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510781","3.1","","3.1","","2.297","","90","","90","","120","","19.117","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Nb B2","","- B2 Nb -","- B2 Nb -","- B2 Nb -","1","0.0416667","","Kugai, L.N.","Chemical stability of borides of transition metals of groups IV-VI in alkaline solutions","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1972","8","","669","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510842","3.06","","3.06","","3.293","","90","","90","","120","","26.703","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Ta B2","","- B2 Ta -","- B2 Ta -","- B2 Ta -","1","0.0416667","","Kugai, L.N.","Chemical stability of borides of transition metals of groups IV-VI in alkaline solutions","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1972","8","","669","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510856","3.165","","3.165","","3.52","","90","","90","","120","","30.537","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Zr B2","","- B2 Zr -","- B2 Zr -","- B2 Zr -","1","0.0416667","","Kugai, L.N.","Chemical stability of borides of transition metals of groups IV-VI in alkaline solutions","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1972","8","","669","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510902","5.1087","","5.1087","","12.77","","90","","90","","120","","288.631","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Sm2 Co7 B3","","- B3 Co7 Sm2 -","- B3 Co7 Sm2 -","- B6 Co14 Sm4 -","2","0.0833333","","Yang, C.J.; Lee, W.-Y.; Choi, S.D.","Crystal structure and low temperature magnetic proeprties of melt-spun Sm2 Co7 B3 compound","RIST Yongu Nonmun (RIST Research Papers)","1994","8","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510924","4.2405","","11.712","","7.3113","","90","","91.15","","90","","363.041","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","La B3 O6","","- B3 La O6 -","- B3 La O6 -","- B12 La4 O24 -","4","1","","Heymann, G.; Soltner, T.; Huppertz, H.","delta-La (B O2)3 (= delta-La B3 O6): A new high-pressure modification of lanthanum meta-oxoborate","Solid State Sciences","2006","8","","821","829","10.1016/j.solidstatesciences.2006.03.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510933","7.157","","16.378","","6.623","","90","","105.32","","90","","748.744","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li6 Y (B O3)3","","- B3 Li6 O9 Y -","- B3 Li6 O9 Y -","- B12 Li24 O36 Y4 -","4","1","","Jiang, A.D.; Luo, Z.-D.; Tu, C.Y.","The structure of a new laser crystal Nd3+: Li6Y(BO3)3 (NLYB)","Jiegon Huaxue","1989","8","","215","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510941","6.4","","8.08","","8.03","","90","","94","","90","","414.236","","","","","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","Nd (B O2)3","","- B3 Nd O6 -","- B3 Nd O6 -","- B12 Nd4 O24 -","4","0.5","","Sil'nitskaya, G.B.; Medvedev, A.V.; Pakhomov, V.I.; Dzhurinskii, B.F.","The crystal structure of neodymium metaborate","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1972","8","","1259","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511075","5.749","","2.973","","4.197","","90","","90","","90","","71.734","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cr0.6 Re0.4) B","","- B Cr0.6 Re0.4 -","- B Cr0.6 Re0.4 -","- B4 Cr2.4 Re1.6 -","4","0.5","","Kuz'ma, Yu.B.; Stefanishina, C.K.; Telegus, V.S.","The ternary chromium-rhenium-boron system","Poroshkovaya Metallurgiya","1969","8","","133","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511520","3.03","","13.18","","2.986","","90","","90","","90","","119.247","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","V3 B4","","- B4 V3 -","- B4 V3 -","- B8 V6 -","2","0.125","","Moskowitz, D.","New vanadium boride of the composition V3 B4","Journal of Metals","1956","8","","1325","1325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511594","2.971","","20.34","","3.011","","90","","90","","90","","181.955","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","(Cr2 Ni3) B6","","- B6 Cr2 Ni3 -","- B6 Cr2 Ni3 -","- B12 Cr4 Ni6 -","2","0.125","","Krivutskii, V.P.; Kuz'ma, Yu.B.; Chepiga, M.V.","The system Cr-Ni-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1972","8","","928","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511596","3.034","","18.11","","2.956","","90","","90","","90","","162.42","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","(Cr3 Ni) B6","","- B6 Cr3 Ni -","- B6 Cr3 Ni -","- B12 Cr6 Ni2 -","2","0.125","","Krivutskii, V.P.; Kuz'ma, Yu.B.; Chepiga, M.V.","The system Cr-Ni-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1972","8","","928","932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511660","12.154","","12.154","","12.154","","90","","90","","90","","1795.39","","","","","","","","","","","","","4","F 2 3","F 2 2 3","196","","Li4 (B7 O12 Cl)","","- B7 Cl Li4 O12 -","- B7 Cl Li4 O12 -","- B56 Cl8 Li32 O96 -","8","0.166667","","Levasseur, A.; Lloyd, D.J.; Hagenmuller, P.; Fouassier, C.","Determination structurale de la boracite Li4 B7 O12 Cl","Journal of Solid State Chemistry","1973","8","","318","324","10.1016/S0022-4596(73)80028-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511682","11.412","","11.412","","16.4131","","90","","90","","90","","2137.54","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","Li7.2 B7 Se15","","- B7 Li7.2 Se15 -","- B7 Li7.28 Se15 -","- B28 Li29.12 Se60 -","4","0.25","","Lindemann, A.; Doech, M.; Nilges, T.; Krebs, B.; Puetz, S.; Eckert, H.; Hammerschmidt, A.","Li7 B7 Se15: A novel selenoborate with a zeolite-like polymeric anion structure","Solid State Sciences","2006","8","","764","772","10.1016/j.solidstatesciences.2006.04.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511721","2.997","","2.997","","16.515","","90","","90","","90","","148.338","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Cr Re3) B4","","- B4 Cr Re3 -","- B4 Cr Re3 -","- B8 Cr2 Re6 -","2","0.0625","","Kuz'ma, Yu.B.; Stefanishina, C.K.; Telegus, V.S.","The ternary chromium-rhenium-boron system","Poroshkovaya Metallurgiya","1969","8","","133","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515343","22.999","0.003","9.6368","0.0012","17.2702","0.0016","90","","100.665","0.002","90","","3761.6","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H70 Cl2 N2 O2 -","- C31 H70 Cl2 N2 O2 -","- C124 H280 Cl8 N8 O8 -","4","1","","Wei, Xi-Lian; Wang, Xiu-Hong; Sun, De-Zhi; Liu, Ji-Feng; Liu, Jie; Sha, Yu-Hong; Wang, Zhong-Ni","Phase and rheological behavior of a gemini cationic surfactant aqueous system","Soft Matter","2012","8","39","10115","","10.1039/c2sm26346g","","","0.71073","MoKα","","0.1585","0.0591","","","0.1326","0.1566","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515344","27.977","0.003","9.5824","0.0009","17.1634","0.0015","90","","102.438","0.002","90","","4493.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H86 Cl2 N2 O2 -","- C39 H86 Cl2 N2 O2 -","- C156 H344 Cl8 N8 O8 -","4","1","","Wei, Xi-Lian; Wang, Xiu-Hong; Sun, De-Zhi; Liu, Ji-Feng; Liu, Jie; Sha, Yu-Hong; Wang, Zhong-Ni","Phase and rheological behavior of a gemini cationic surfactant aqueous system","Soft Matter","2012","8","39","10115","","10.1039/c2sm26346g","","","0.71073","MoKα","","0.2465","0.0838","","","0.1673","0.2094","","","","","","0.999","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515345","6.1385","0.0002","14.6387","0.0005","37.9634","0.0009","83.436","0.002","86","0.003","80.353","0.003","3336.63","0.18","123","0.1","123","0.1","","","","","","","","4","P 1","P 1","1","","","","- C142 H226 N10 O16 -","- C142 H226 N10 O16 -","- C142 H226 N10 O16 -","1","1","","Svobodová, Hana; Nonappa,; Lahtinen, Manu; Wimmer, Zdeněk; Kolehmainen, Erkki","A steroid-based gelator of A(LS)2 type: tuning gel properties by metal coordination","Soft Matter","2012","8","30","7840","","10.1039/c2sm25259g","","","1.5418","CuKα","","0.0979","0.0716","","","0.1819","0.2056","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515346","5.0665","0.0002","43.206","0.002","14.1396","0.0008","90","","99.686","0.003","90","","3051.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H35 N3 O6 -","- C31 H35 N3 O6 -","- C124 H140 N12 O24 -","4","2","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Photo-induced charge-transfer complex formation and organogelation by a tripeptide","Soft Matter","2012","8","20","5621","","10.1039/c2sm25062d","","","0.71073","MoKα","","0.0758","0.0552","","","0.1228","0.1321","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515347","17.9224","0.0013","26.39","0.002","9.0841","0.0007","90","","99.7","0.002","90","","4235.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cd N3 O23 -","- C30 H18 Cd N3 O11 -","- C120 H72 Cd4 N12 O44 -","4","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","A crystal engineering rationale in designing a CdII coordination polymer based metallogel derived from a C3 symmetric tris-amide-tris-carboxylate ligand","Soft Matter","2012","8","29","7623","","10.1039/c2sm25717c","","","0.71073","MoKα","","0.0636","0.0437","","","0.0934","0.1023","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515348","8.4599","0.0002","8.5465","0.0002","16.5655","0.0004","81.9423","0.0011","76.9685","0.0011","72.9996","0.001","1112.34","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C38 H60 F6 N4 O6 S2 -","- C38 H60 F6 N4 O6 S2 -","- C38 H60 F6 N4 O6 S2 -","1","0.5","","Noujeim, Nadim; Samsam, Salim; Eberlin, Ludovic; Sanon, Samantha H.; Rochefort, Dominic; Schmitzer, Andreea R.","Mesomorphic and ion conducting properties of dialkyl(1,4-phenylene)diimidazolium salts","Soft Matter","2012","8","42","10914","","10.1039/c2sm26213d","","","1.54178","CuKα","","0.0443","0.043","","","0.1151","0.1163","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515349","5.8926","0.0001","17.4576","0.0005","25.4302","0.0007","79","0.001","89.243","0.001","81.121","0.001","2536.83","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H58 F12 N6 O8 S4 -","- C40 H58.5 F12 N6 O8 S4 -","- C80 H117 F24 N12 O16 S8 -","2","1","","Noujeim, Nadim; Samsam, Salim; Eberlin, Ludovic; Sanon, Samantha H.; Rochefort, Dominic; Schmitzer, Andreea R.","Mesomorphic and ion conducting properties of dialkyl(1,4-phenylene)diimidazolium salts","Soft Matter","2012","8","42","10914","","10.1039/c2sm26213d","","","1.54178","CuKα","","0.1116","0.1037","","","0.4059","0.4209","","","","","","1.952","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515350","6.4221","0.0011","14.631","0.003","15.001","0.003","95.239","0.006","94.88","0.007","99.656","0.007","1376.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H43 N3 O4 -","- C29 H43 N3 O4 -","- C58 H86 N6 O8 -","2","1","","Sahoo, Pathik; Chakraborty, Indrajit; Dastidar, Parthasarathi","Reverse thermal gelation of aromatic solvents by a series of easily accessible organic salt based gelators","Soft Matter","2012","8","9","2595","","10.1039/c2sm06957a","","","0.71073","MoKα","","0.1428","0.0634","","","0.1386","0.1769","","","","","","0.955","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515351","6.323","0.003","14.956","0.007","16.823","0.008","113.73","0.006","95.041","0.007","94.696","0.007","1438.7","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H45 N3 O4 -","- C29.95 H9 N3 O4 -","- C59.9 H18 N6 O8 -","2","1","","Sahoo, Pathik; Chakraborty, Indrajit; Dastidar, Parthasarathi","Reverse thermal gelation of aromatic solvents by a series of easily accessible organic salt based gelators","Soft Matter","2012","8","9","2595","","10.1039/c2sm06957a","","","0.71073","MoKα","","0.1463","0.1073","","","0.3101","0.3499","","","","","","1.279","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515352","7.436","0.0005","27.0637","0.0018","10.927","0.0008","90","","90","","90","","2199","0.3","220","2","220","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C108 H96 O24 -","4","0.5","","Weissflog, Wolfgang; Baumeister, Ute; Tamba, Maria-Gabriela; Pelzl, Gerhard; Kresse, Horst; Friedemann, Rudolf; Hempel, Günther; Kurz, Ricardo; Roos, Matthias; Merzweiler, Kurt; Jákli, Antal; Zhang, Cuiyu; Diorio, Nicholas; Stannarius, Ralf; Eremin, Alexey; Kornek, Ulrike","Unexpected liquid crystalline behaviour of three-ring bent-core mesogens: bis(4-subst.-phenyl) 2-methyl-iso-phthalates","Soft Matter","2012","8","9","2671","","10.1039/c2sm07064b","","","0.71073","MoKα","","0.063","0.0394","","","0.09","0.0988","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515353","35.285","0.015","4.651","0.002","12.784","0.005","90","","97.518","0.007","90","","2080","1.5","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C88 H120 N16 O8 -","4","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0888","0.0762","","","0.196","0.2024","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515354","12.317","0.002","4.6108","0.0008","19.488","0.003","90","","107.519","0.004","90","","1055.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C46 H64 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.104","0.0624","","","0.1354","0.1628","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515355","12.1914","0.0014","4.6342","0.0006","17.341","0.002","90","","107.849","0.005","90","","932.6","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","12","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.1602","0.0972","","","0.2219","0.255","","","","","","0.896","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515356","4.5914","0.0001","19.6481","0.0004","11.2393","0.0003","90","","90.872","0.001","90","","1013.81","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","14 form 2","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0488","0.0376","","","0.0886","0.0944","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515357","12.275","0.004","4.6302","0.0015","20.791","0.007","90","","102.108","0.009","90","","1155.4","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17","","- C25 H36 N4 O2 -","- C25 H36 N4 O2 -","- C50 H72 N8 O4 -","2","1","","Lloyd, Gareth O.; Piepenbrock, Marc-Oliver M.; Foster, Jonathan A.; Clarke, Nigel; Steed, Jonathan W.","Anion tuning of chiral bis(urea) low molecular weight gels","Soft Matter","2012","8","1","204","","10.1039/c1sm06448g","","","0.71073","MoKα","","0.0789","0.0625","","","0.1518","0.1623","","","","","","0.987","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515950","12.751","0.003","7.873","0.0016","20.264","0.004","90","","103.84","0.03","90","","1975.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(4R,6S)-4,6-dimethyl-4,6-diphenyl-3,4,6,7- tetrahydropyrano(4,3-g)isochromene-1,9-dione","(4R,6S)-4,6-dimethyl-4,6-diphenyl-3,4,6,7- tetrahydropyrano[4,3-g]isochromene-1,9-dione","","- C26 H22 O4 -","- C26 H22 O4 -","- C104 H88 O16 -","4","1","","Lu, Zhi-Feng; Yue, Jia-Jun; Zhu, Ye; Hu, Hong-Wen; Xu, Jian-Hua","Photo-multicomponent reactions leading to the construction of isocoumarins and large ring lactone precursors","Photochemical & Photobiological Sciences","2009","8","2","217","","10.1039/b809550g","","","0.71073","MoKα","","0.1073","0.0561","","","0.128","0.153","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515951","10.6085","0.0018","14.149","0.002","19.981","0.004","110.6","0.002","103.178","0.002","92.221","0.002","2710.1","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 Cl4 K2 N2 O13 Pt2 -","- C46 H56 Cl4 K2 N2 O13 Pt2 -","- C92 H112 Cl8 K4 N4 O26 Pt4 -","2","1","","Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken","Synthesis, crystal structure, solution and spectroscopic properties, and hydrogen-evolving activity of [K(18-crown-6)][Pt(ii)(2-phenylpyridinato)Cl2]","Photochemical & Photobiological Sciences","2009","8","2","196","","10.1039/b814939a","","","0.71073","MoKα","","0.0776","0.0652","","","0.158","0.1632","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515952","8.6659","0.0012","8.0222","0.0011","39.984","0.005","90","","91.551","0.002","90","","2778.7","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O Pt -","- C14 H15 Cl N2 O Pt -","- C112 H120 Cl8 N16 O8 Pt8 -","8","2","","Kobayashi, Masayuki; Masaoka, Shigeyuki; Sakai, Ken","Synthesis, crystal structure, solution and spectroscopic properties, and hydrogen-evolving activity of [K(18-crown-6)][Pt(ii)(2-phenylpyridinato)Cl2]","Photochemical & Photobiological Sciences","2009","8","2","196","","10.1039/b814939a","","","0.71073","MoKα","","0.0507","0.0446","","","0.1148","0.119","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515953","8.1279","0.0009","6.3065","0.0007","22.035","0.002","90","","97.416","0.002","90","","1120","0.2","120","2","120","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C31 H30 O -","- C31 H30 O -","- C62 H60 O2 -","2","0.5","","Hoijemberg, Pablo Ariel; Karlen, Steven D.; Sanramé, Carlos Norberto; Aramendía, Pedro Francisco; García-Garibay, Miguel Angel","Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","7","961","969","10.1039/b902272d","","","0.71073","MoKα","","0.0428","0.0394","","","0.108","0.1108","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515954","5.98","0.0007","8.0417","0.001","33.922","0.004","90","","90","","90","","1631.3","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C76 H96 N8 -","4","1","","Hoijemberg, Pablo Ariel; Karlen, Steven D.; Sanramé, Carlos Norberto; Aramendía, Pedro Francisco; García-Garibay, Miguel Angel","Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","7","961","969","10.1039/b902272d","","","0.71073","MoKα","","0.1086","0.0509","","","0.0913","0.1093","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515955","11.12","0.016","10.165","0.015","12.745","0.018","90","","108.04","0.03","90","","1370","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O -","- C15 H21 N O -","- C60 H84 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Ugrinov, Angel; Sivaguru, J.","6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","6","751","754","10.1039/b903861b","","","0.71073","MoKα","","0.0726","0.0601","","","0.1872","0.2029","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515956","17.588","0.012","17.588","0.012","8.963","0.013","90","","90","","90","","2773","5","533","2","533","2","","","","","","","","4","I -4","I -4","82","","","","- C15 H21 N O -","- C15 H21 N O -","- C120 H168 N8 O8 -","8","1","","Ayitou, Anoklase Jean-Luc; Ugrinov, Angel; Sivaguru, J.","6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","6","751","754","10.1039/b903861b","","","0.71073","MoKα","","0.0753","0.0562","","","0.1652","0.1964","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515957","11.073","0.01","14.119","0.013","14.351","0.013","115.446","0.014","96.908","0.016","107.764","0.015","1845","3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H29 N O -","- C19 H29 N O -","- C76 H116 N4 O4 -","4","2","","Ayitou, Anoklase Jean-Luc; Ugrinov, Angel; Sivaguru, J.","6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","6","751","754","10.1039/b903861b","","","0.71073","MoKα","","0.1161","0.0854","","","0.2523","0.2864","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515958","6.0019","0.0016","9.123","0.003","34.23","0.009","90","","90","","90","","1874.3","0.9","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 N2 S2 -","- C23 H16 N2 S2 -","- C92 H64 N8 S8 -","4","1","","Dufresne, Stéphane; Pérez Guarìn, Sergio Andrés; Bolduc, Andréanne; Bourque, Alex N.; Skene, W. G.","Conjugated fluorene-thiophenes prepared from azomethine connections. Part I. The effect of electronic and aryl groups on the spectroscopic and electrochemical properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","6","796","804","10.1039/b819735k","","","1.54178","CuKα","","0.039","0.0327","","","0.0767","0.079","","","","","","0.928","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515959","11.9774","0.0002","13.4851","0.0003","14.5529","0.0003","81.9962","0.0008","71.1326","0.0008","88.4819","0.0011","2202.14","0.08","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C42 H42 Co2 N11 O14.5 -","- C42 H42 Co2 N11 O14.5 -","- C84 H84 Co4 N22 O29 -","2","1","","Howard-Jones, Annaleise R; Adam, Virgile; Cowley, Andrew; Baldwin, Jack E.; Bourgeois, Dominique","Cryophotolysis of a caged oxygen compound for use in low temperature biological studies.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","8","1150","1156","10.1039/b821516b","","","0.71073","MoKα","","0.0656","0.0432","","0.0597","0.0522","0.0522","","","","","","1.1213","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516742","38.884","0.007","8.6698","0.0017","7.8123","0.0014","90","","92.945","0.015","90","","2630.2","0.8","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H33 F O8 -","- C27 H33 F O8 -","- C108 H132 F4 O32 -","4","1","","Morton, Gillian E.; Barrett, Anthony G. M.","Iterative benzyne-furan cycloaddition reactions: studies toward the total synthesis of ent-Sch 47554 and ent-Sch 47555.","Organic letters","2006","8","13","2859","2861","10.1021/ol061007+","","","1.54248","CuKα","","0.086","0.0521","","","0.1231","0.1451","","","","","","0.932","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516743","10.6365","0.0012","16.1655","0.0019","18.138","0.002","90","","90","","90","","3118.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 N3 O P -","- C39 H36 N3 O P -","- C156 H144 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0403","0.0378","","","0.0908","0.0924","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516744","10.9951","0.0015","16.296","0.002","18.095","0.003","90","","90","","90","","3242.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N3 O P -","- C40 H38 N3 O P -","- C160 H152 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0331","0.031","","","0.0752","0.0767","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516745","19.596","0.002","7.5959","0.0009","12.4831","0.0014","90","","107.84","0.002","90","","1768.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 O2 Si2 -","- C38 H42 O2 Si2 -","- C76 H84 O4 Si4 -","2","0.5","","Liu, Yuanhong; Gao, Hongjun","New zirconium-mediated approach toward regio- and stereocontrolled synthesis of trans-enediynes.","Organic letters","2006","8","2","309","311","10.1021/ol052706+","","","0.71073","MoKα","","0.0748","0.047","","","0.104","0.112","","","","","","0.888","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516746","14.8638","0.0006","15.4624","0.0006","16.3768","0.0006","90","","90","","90","","3763.9","0.3","277.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 B N O3 -","- C24 H18 B N O3 -","- C192 H144 B8 N8 O24 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio","Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity.","Organic letters","2006","8","4","761","764","10.1021/ol053026+","","","0.7107","MoKα","","","0.0677","","","","0.1602","","","","","","0.98","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516747","13.574","0.004","4.9473","0.0013","36.772","0.01","90","","96.297","0.003","90","","2454.5","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 N6 -","- C3 H8 N6 -","- C48 H128 N96 -","16","2","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0681","0.054","","","0.1287","0.1333","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516748","7.2044","0.001","8.5549","0.0014","15.472","0.003","90","","99.564","0.007","90","","940.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 -","- C8 H10 N6 -","- C32 H40 N24 -","4","1","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0428","0.0354","","","0.1007","0.1051","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516749","6.4456","0.0009","6.4456","0.0009","12.53","0.003","90","","90","","90","","520.57","0.16","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H8 N2 O2 -","- C3 H8 N2 O2 -","- C12 H32 N8 O8 -","4","0.5","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0435","0.0335","","","0.0784","0.0796","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516751","15.037","0.009","18.91","0.01","19.84","0.01","81.38","0.06","87.14","0.06","66.8","0.05","5126","5","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C107 H47 Cl4 F40 N9 O -","- C107 H47 Cl4 F40 N9 O -","- C214 H94 Cl8 F80 N18 O2 -","2","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.7107","MoKα","","","0.098","","","","0.139","","","","","","1.272","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516752","7.773","0.002","6.401","0.002","8.075","0.003","90","","103.792","0.005","90","","390.2","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","1","","Hong, Bor-Cherng; Wu, Ming-Fun; Tseng, Hsing-Chang; Liao, Ju-Hsiou","Enantioselective organocatalytic formal [3 + 3]-cycloaddition of alpha,beta-unsaturated aldehydes and application to the asymmetric synthesis of (-)-isopulegol hydrate and (-)-cubebaol.","Organic letters","2006","8","11","2217","2220","10.1021/ol060486+","","","0.71073","MoKα","","0.0561","0.0518","","","0.1301","0.1334","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516753","7.6565","0.0005","16.5845","0.0011","27.3457","0.0018","90","","90","","90","","3472.3","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H59 N O2 Si2 -","- C35 H59 N O2 Si2 -","- C140 H236 N4 O8 Si8 -","4","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. The total synthesis of (+)-nodulisporic acid F.","Organic letters","2006","8","8","1665","1668","10.1021/ol060290+","","","0.71069","MoKα","","0.0553","0.0498","","","0.1074","0.111","","","","","","1.12","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516755","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Kobayashi, Toyoharu; Hasegawa, Futoshi; Tanaka, Katsunori; Katsumura, Shigeo","Synthesis of 2,4,6-trisubstituted chiral piperidines and (-)-dendroprimine by one-pot asymmetric azaelectrocyclization protocol.","Organic letters","2006","8","17","3813","3816","10.1021/ol0614065","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516757","6.4053","0.0016","15.414","0.004","14.888","0.004","90","","101.497","0.005","90","","1440.4","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O2 S -","- C15 H20 O2 S -","- C60 H80 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0508","0.0459","","","0.1262","0.1301","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516758","10.4287","0.0019","9.2211","0.0017","15.589","0.003","90","","95.126","0.004","90","","1493.1","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H34 O3 S -","- C35 H34 O3 S -","- C70 H68 O6 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0499","0.0446","","","0.109","0.1117","","","","","","0.992","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516759","6.248","0.002","16.63","0.005","13.443","0.004","90","","103.304","0.006","90","","1359.3","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0609","0.0452","","","0.1146","0.1218","","","","","","0.957","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516760","7.4039","0.0018","12.927","0.003","24.736","0.006","90","","90","","90","","2367.5","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C88 H88 Br8 O16 S8 -","8","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0969","0.0733","","","0.2317","0.2426","","","","","","1.094","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516761","10.1655","0.0018","11.398","0.002","15.36","0.003","90","","102.624","0.003","90","","1736.7","0.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 S2 -","- C18 H18 O4 S2 -","- C72 H72 O16 S8 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.1202","0.0979","","","0.2205","0.2343","","","","","","1.151","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516762","4.9466","0.0007","9.9378","0.0015","12.6847","0.0019","105.346","0.003","96.246","0.003","102.488","0.003","577.9","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C22 H22 Br2 O4 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0562","0.0478","","","0.1169","0.1203","","","","","","0.882","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516763","11.05","0.004","6.388","0.002","16.42","0.006","90","","93.997","0.008","90","","1156.2","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.1017","0.0478","","","0.0858","0.0976","","","","","","0.835","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516835","11.6469","0.0004","12.2824","0.0004","14.1122","0.0004","82.427","0.002","72.489","0.002","84.915","0.002","1905.87","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H48 Cl4 N8 O12 Pb4 S4 -","- C76 H48 Cl4 N8 O12 Pb4 S4 -","- C76 H48 Cl4 N8 O12 Pb4 S4 -","1","0.5","","Jennifer, Samson; Thomas Muthiah, Packianathan","Syntheses and characterization of two novel tetranuclear lead(II) clusters self-assembled by hydrogen bonded interactions","Chemistry Central Journal","2014","8","1","39","","10.1186/1752-153X-8-39","","","0.71073","MoKα","","0.0804","0.0381","","","0.0878","0.1054","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516836","11.5185","0.0002","12.225","0.0002","14.7743","0.0002","81.913","0.001","72.349","0.001","84.455","0.001","1959.55","0.05","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H48 Cl4 N8 O12 Pb4 S4 -","- C80 H48 Cl4 N8 O12 Pb4 S4 -","- C80 H48 Cl4 N8 O12 Pb4 S4 -","1","0.5","","Jennifer, Samson; Thomas Muthiah, Packianathan","Syntheses and characterization of two novel tetranuclear lead(II) clusters self-assembled by hydrogen bonded interactions","Chemistry Central Journal","2014","8","1","39","","10.1186/1752-153X-8-39","","","0.71073","MoKα","","0.0299","0.0232","","","0.0586","0.0618","","","","","","1.179","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517291","8.6712","0.0003","10.3617","0.0004","12.286","0.0004","95.336","0.002","96.851","0.002","107.63","0.002","1034.75","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Cl Cu N3 O9 S -","- C17 H14 Cl Cu N3 O9 S -","- C34 H28 Cl2 Cu2 N6 O18 S2 -","2","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0427","0.0331","","","0.0837","0.0885","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517292","23.8658","0.0004","16.6525","0.0004","11.3381","0.0002","90","","99.994","0.001","90","","4437.67","0.15","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cl2 Cu N2 O5 S2 -","- C20 H14 Cl2 Cu N2 O5 S2 -","- C160 H112 Cl16 Cu8 N16 O40 S16 -","8","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0567","0.0335","","","0.0807","0.0919","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517293","14.9443","0.0002","15.1728","0.0002","15.3055","0.0002","111.948","0.001","116.673","0.001","97.606","0.001","2681.16","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 Cl2 Cu N4 O6 S -","- C25 H18 Cl2 Cu N4 O6 S -","- C100 H72 Cl8 Cu4 N16 O24 S4 -","4","2","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0885","0.0644","","","0.1942","0.2156","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517294","13.4364","0.0003","10.4855","0.0003","20.039","0.0004","90","","123.741","0.001","90","","2347.69","0.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 Cu N2 O5 S2 -","- C22 H14 Cl2 Cu N2 O5 S2 -","- C88 H56 Cl8 Cu4 N8 O20 S8 -","4","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.061","0.0375","","","0.093","0.106","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517295","19.1486","0.0009","8.1694","0.0003","19.1208","0.0008","90","","102.385","0.004","90","","2921.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cu2 N4 O16 P4 -","- C20 H24 Cu2 N4 O16 P4 -","- C80 H96 Cu8 N16 O64 P16 -","4","0.5","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0532","0.0339","","","0.0869","0.109","","","","","","1.119","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1518309","23.446","0.01","9.956","0.004","19.018","0.008","90","","98.983","0.005","90","","4385","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Co3 N2 O14 P2 -","- C12 H26 Co3 N2 O14 P2 -","- C96 H208 Co24 N16 O112 P16 -","8","1","","Zhou, Tianhua; Wang, Danping; Chun-Kiat Goh, Simon; Hong, Jindui; Han, Jianyu; Mao, Jianggao; Xu, Rong","Bio-inspired organic cobalt(ii) phosphonates toward water oxidation","Energy Environ. Sci.","2015","8","2","526","","10.1039/C4EE03234A","","","0.71073","MoKα","","0.0647","0.0462","","","0.0939","0.1047","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518349","11.47","0.007","5.221","0.003","23.203","0.014","90","","98.103","0.019","90","","1375.6","1.4","199","2","199","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N5 O4 -","- C14 H13 N5 O4 -","- C56 H52 N20 O16 -","4","1","","Ivanova, B.; Spiteller, M.","Solid-state determination of hop bitter acids in beer by UV-MALDI-Orbitrap Mass spectrometry","Journal of Food Measurement and Characterization","2014","8","4","343","355","10.1007/s11694-014-9195-2","","","0.71073","MoKα","","0.1312","0.0812","","","0.1829","0.2105","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518350","7.019","0.003","8.246","0.004","13.185","0.006","101.75","0.013","101.632","0.013","97.841","0.013","719.2","0.6","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O6 -","- C11 H16 N6 O6 -","- C22 H32 N12 O12 -","2","1","","Ivanova, B.; Spiteller, M.","Solid-state determination of hop bitter acids in beer by UV-MALDI-Orbitrap Mass spectrometry","Journal of Food Measurement and Characterization","2014","8","4","343","355","10.1007/s11694-014-9195-2","","","0.71073","MoKα","","0.129","0.0712","","","0.16","0.1953","","","","","","0.933","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518351","4.456","0.003","9.632","0.008","10.51","0.009","115.22","0.02","96.23","0.03","94.68","0.02","401.6","0.6","199","2","199","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N8 O8 -","- C12 H10 N8 O8 -","- C12 H10 N8 O8 -","1","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Solid-state determination of hop bitter acids in beer by UV-MALDI-Orbitrap Mass spectrometry","Journal of Food Measurement and Characterization","2014","8","4","343","355","10.1007/s11694-014-9195-2","","","0.71073","MoKα","","0.114","0.0753","","","0.1903","0.2142","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518513","8.61","0.004","12.78","0.005","20.458","0.008","90","","101.72","0.03","90","","2204.2","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TriboIV","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0891","0.0429","","","0.0835","0.0913","","","","","","0.809","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518514","14.384","0.0001","8.214","0.0005","17.365","0.0009","90","","105.53","0.003","90","","1976.77","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TriboII","","","- C25 H18 N2 O2 -","- C25 H18 N2 O2 -","- C100 H72 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0804","0.041","","","0.1138","0.1482","","","","","","0.491","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518515","10.07","0.03","23.91","0.05","9.5","0.05","90","","110.38","0.18","90","","2144","14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TriboIIIa","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.2359","0.089","","","0.2072","0.245","","","","","","0.727","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518516","20.349","0.002","10.095","0.002","21.338","0.002","90","","99.06","0.018","90","","4328.6","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TriboIIIb","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C216 H160 N16 O16 -","8","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.1348","0.0616","","","0.1593","0.2199","","","","","","0.594","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518517","10.352","0.0004","7.212","0.0001","13.32","0.0009","90","","110.332","0.002","90","","932.49","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","TriboI","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C46 H32 N4 O4 -","2","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0587","0.0423","","","0.1264","0.1431","","","","","","0.485","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518534","5.2742","0.0004","8.2719","0.0005","29.673","0.002","90","","93.124","0.007","90","","1292.64","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1,2,4-Triazolium perfluorobutanesulfonate","1,2,4-Triazolium perfluorobutanesulfonate","","- C6 H4 F9 N3 O3 S -","- C6 H4 F9 N3 O3 S -","- C24 H16 F36 N12 O12 S4 -","4","1","","Luo, Jiangshui; Jensen, Annemette H.; Brooks, Neil R.; Sniekers, Jeroen; Knipper, Martin; Aili, David; Li, Qingfeng; Vanroy, Bram; Wübbenhorst, Michael; Yan, Feng; Van Meervelt, Luc; Shao, Zhigang; Fang, Jianhua; Luo, Zheng-Hong; De Vos, Dirk E.; Binnemans, Koen; Fransaer, Jan","1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells","Energy Environ. Sci.","2015","8","4","1276","","10.1039/C4EE02280G","","","0.71073","MoKα","","0.0617","0.0559","","","0.1163","0.1193","","","","","","1.19","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518535","5.351","0.0003","8.2492","0.0005","30.2383","0.0018","90","","93.95","0.005","90","","1331.59","0.14","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1,2,4-Triazolium perfluorobutanesulfonate","1,2,4-Triazolium perfluorobutanesulfonate","","- C6 H4 F9 N3 O3 S -","- C6 H4 F9 N3 O3 S -","- C24 H16 F36 N12 O12 S4 -","4","1","","Luo, Jiangshui; Jensen, Annemette H.; Brooks, Neil R.; Sniekers, Jeroen; Knipper, Martin; Aili, David; Li, Qingfeng; Vanroy, Bram; Wübbenhorst, Michael; Yan, Feng; Van Meervelt, Luc; Shao, Zhigang; Fang, Jianhua; Luo, Zheng-Hong; De Vos, Dirk E.; Binnemans, Koen; Fransaer, Jan","1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells","Energy Environ. Sci.","2015","8","4","1276","","10.1039/C4EE02280G","","","0.71073","MoKα","","0.1009","0.0906","","","0.2334","0.2404","","","","","","1.142","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519450","43.879","0.009","9.5887","0.0019","25.05","0.005","90","","109.94","0.03","90","","9908","4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","Spiro-OMeTABPDOT","4,4',4'',4'''-(2H,2'H,4H,4'H-3,3'-spiro-bi[thieno[3,4-b][1,4]dioxepine]-6, 6',8,8'-tetrayl)tetrakis(N,N-bis(4-methoxyphenyl)aniline)","","- C93 H80 N4 O24 S2 -","- C93 H80 N4 O24 S2 -","- C372 H320 N16 O96 S8 -","4","1","","Ganesan, Paramaguru; Fu, Kunwu; Gao, Peng; Raabe, Ines; Schenk, Kurt; Scopelliti, Rosario; Luo, Jingshan; Wong, Lydia H.; Grätzel, Michael; Nazeeruddin, Mohammad Khaja","A simple spiro-type hole transporting material for efficient perovskite solar cells","Energy Environ. Sci.","2015","8","7","1986","","10.1039/C4EE03773A","","","1.54178","CuKα","","0.1885","0.1553","","","0.3446","0.3809","","","","","","1.288","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519451","13.1111","0.0007","16.1465","0.0007","16.9214","0.0009","75.2","0.004","85.67","0.004","75.891","0.004","3358.6","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","Spiro-OMeTAD","2,2,7,7-tetrakis(N,N-di-p-methoxyphenylamine)-9,9-spirobifluorene","","- C84 H70.5 Cl0.5 N4 O8 -","- C84 H70.5 Cl0.5 N4 O8 -","- C168 H141 Cl N8 O16 -","2","1","","Ganesan, Paramaguru; Fu, Kunwu; Gao, Peng; Raabe, Ines; Schenk, Kurt; Scopelliti, Rosario; Luo, Jingshan; Wong, Lydia H.; Grätzel, Michael; Nazeeruddin, Mohammad Khaja","A simple spiro-type hole transporting material for efficient perovskite solar cells","Energy Environ. Sci.","2015","8","7","1986","","10.1039/C4EE03773A","","","0.71073","MoKα","","0.0573","0.0419","","","0.0971","0.1068","","","","","","1.016","","","","has coordinates,has disorder","301776","2025-08-18","14:47:54",""
"1520752","18.7387","0.0003","18.7387","0.0003","37.4863","0.0008","90","","90","","120","","11399.4","0.4","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Cu2 N2 O10 -","- C20 H12 Cu2 N2 O10 -","- C180 H108 Cu18 N18 O90 -","9","0.25","","Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Yildirim, Taner; Zhou, Wei; Chen, Banglin","Porous metal‒organic frameworks with Lewis basic nitrogen sites for high-capacity methane storage","Energy Environ. Sci.","2015","8","8","2504","","10.1039/C5EE01531F","","","1.54184","CuKα","","0.0518","0.0472","","","0.1019","0.1035","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520867","57.395","","4.151","","13.209","","90","","99.21","","90","","3106.43","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Gd16 Sb39 -","- Gd16 Sb39.004 -","- Gd32 Sb78.008 -","2","0.25","","Borzone, G.; Parodi, N.; Fornasini, M.L.; Ferro, R.","Gd-Sb system: standard enthalpies of formation of solid alloys and crystal structure of Gd16 Sb39","Intermetallics","2000","8","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522203","3.901","","3.901","","7.12","","90","","90","","90","","108.351","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ga1.15 Mn2.85 -","- Ga1.15 Mn2.85 -","- Ga2.3 Mn5.7 -","2","0.0625","","Kren, E.; Kadar, G.","Neutron diffraction study of Mn3 Ga","Solid State Communications","1970","8","","1653","1655","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522499","5.4261","","5.4261","","5.4261","","90","","90","","90","","159.758","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Mg.0405 Yb.9595)","","- Mg0.0405 Yb0.9595 -","- Mg0.0405 Yb0.9595 -","- Mg0.162 Yb3.838 -","4","0.0208333","","McMasters, O.D.; Gschneidner, K.A.jr.","Ytterbium-magnesium system","Journal of the Less-Common Metals","1965","8","","289","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","142726","2020-10-21","18:00:00",""
"1522500","3.2118","","3.2118","","5.2156","","90","","90","","120","","46.594","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mg0.988 Yb0.012)","","- Mg0.988 Yb0.012 -","- Mg0.988 Yb0.012 -","- Mg1.976 Yb0.024 -","2","0.0833333","","McMasters, O.D.; Gschneidner, K.A.jr.","Ytterbium-magnesium system","Journal of the Less-Common Metals","1965","8","","289","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","142728","2020-10-21","18:00:00",""
"1522515","3.95","","3.95","","3.95","","90","","90","","90","","61.63","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Hf0.1 Pt0.9)","","- Hf0.1 Pt0.9 -","- Hf0.1 Pt0.9 -","- Hf0.4 Pt3.6 -","4","0.0208333","","Meschter, P.J.; Worrell, W.L.","An investigation of high-temperature thermodynamic properties in the Pt-Zr and Pt-Hf-systems","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1977","8","","503","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","142744","2020-10-21","18:00:00",""
"1523030","2.768","","2.768","","4.456","","90","","90","","120","","29.567","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ir W)","","- Ir W -","- Ir W -","- Ir W -","1","0.0416667","","Tylkina, M.A.; Polyakova, V.P.; Shekhtman, V.Sh.","The iridium-tungsten system","Zhurnal Neorganicheskoi Khimii","1963","8","","2549","2555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523031","3.843","","3.843","","3.843","","90","","90","","90","","56.756","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ir0.8 W0.2)","","- Ir0.8 W0.2 -","- Ir0.8 W0.2 -","- Ir3.2 W0.8 -","4","0.0208333","","Tylkina, M.A.; Polyakova, V.P.; Shekhtman, V.Sh.","The iridium-tungsten system","Zhurnal Neorganicheskoi Khimii","1963","8","","2549","2555","","","","","","","","","","","","","","","","","","","","","","has coordinates","143359","2020-10-21","18:00:00",""
"1523289","6.739","","6.739","","6.739","","90","","90","","90","","306.046","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg2 Sn -","- Mg2 Sn -","- Mg8 Sn4 -","4","0.0208333","","Bol'shakov, K.A.; Bul'onkov, N.A.; Rastorguev, L.N.; Tsirlin, M.S.; Umanskii, Ya.S.","The Mg3 Sb2 - Mg2 Sn system","Zhurnal Neorganicheskoi Khimii","1963","8","","1421","1424","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1523388","24.666","","15.974","","45.271","","90","","90","","90","","17837.4","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- Ga19.56 Li3 Na5 -","- Ga19.5395 Li3 Na5 -","- Ga625.264 Li96 Na160 -","32","1","","Charbonnel, M.; Belin, C.","Synthesis and crystal structure of the new nonstoichiometric phase Li3 Na5 Ga19.56","Nouveau Journal de Chimie","1984","8","","595","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523592","10.31","","10.31","","5.93","","90","","90","","90","","630.336","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Mg12 Nd -","- Mg12 Nd -","- Mg24 Nd2 -","2","0.0625","","Evdokimenko, V.I.; Kripyakevich, P.I.","The crystal structures of magnesium-rich compounds in the systems La-Mg, Ce-Mg and Nd-Mg","Kristallografiya","1963","8","","186","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523673","2.801","","8.459","","3.951","","90","","90","","90","","93.614","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Nb Pt2 -","- Nb Pt2 -","- Nb2 Pt4 -","2","0.125","","Giessen, B.C.; Grant, N.J.","The crystal structures of V Ni2, V Pd2, V Pt2, and related A B2 phases","Journal of the Less-Common Metals","1965","8","","114","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523674","2.559","","7.641","","3.549","","90","","90","","90","","69.395","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Ni2 V -","- Ni2 V -","- Ni4 V2 -","2","0.125","","Giessen, B.C.; Grant, N.J.","The crystal structures of V Ni2, V Pd2, V Pt2, and related A B2 phases","Journal of the Less-Common Metals","1965","8","","114","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523675","2.896","","8.397","","3.79","","90","","90","","90","","92.164","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pd2 Ta -","- Pd2 Ta -","- Pd4 Ta2 -","2","0.125","","Giessen, P.C.; Grant, N.J.","The crystal structures of V Ni2, V Pd2, V Pt2, and related A B2 phases","Journal of the Less-Common Metals","1965","8","","114","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523676","2.75","","8.25","","3.751","","90","","90","","90","","85.101","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pd2 V -","- Pd2 V -","- Pd4 V2 -","2","0.125","","Giessen, B.C.; Grant, N.J.","The crystal structures of V Ni2, V Pd2, and related A B2 phases","Journal of the Less-Common Metals","1965","8","","114","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523774","9.6","","9.6","","9.6","","90","","90","","90","","884.736","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Rh S4 -","- Ni2 Rh S4 -","- Ni16 Rh8 S32 -","8","0.0416667","","Harada, S.","Some new sulfo-spinels containing iron-group transition metals","Materials Research Bulletin","1973","8","","1361","1370","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524107","6.092","","6.092","","8.173","","90","","90","","120","","262.683","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Rb (Cl O3)","","- Cl O3 Rb -","- Cl O3 Rb -","- Cl3 O9 Rb3 -","3","0.166667","","Brunton, G.","The absolute configuration of Rb Cl O3","Materials Research Bulletin","1973","8","","791","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1524245","10.481","","10.481","","3.701","","90","","90","","120","","352.091","","","","","","","","","","","","","4","P 63","P 6c","173","","K0.13 V0.13 Mo0.87 O3","","- K0.13 Mo0.87 O3 V0.13 -","- K0.13 Mo0.87 O3 V0.13 -","- K0.78 Mo5.22 O18 V0.78 -","6","1","","Darriet, B.; Galy, J.","Une nouvelle structure a tunnels: Kx Vx Mo1-x O3 (x= 0.13)","Journal of Solid State Chemistry","1973","8","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","144952","2020-10-21","18:00:00",""
"1524336","9.034","","9.034","","27.81","","90","","90","","120","","1965.58","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Ba6.23 Nb14 Si4 O47","","- Ba6.23 Nb14 O47 Si4 -","- Ba6.228 Nb14 O47 Si4 -","- Ba12.456 Nb28 O94 Si8 -","2","0.0833333","","Evans, D.M.; Katz, L.","The structure of a barium niobium silicon oxide with the probable composition Ba60x Nb14 Si4 O47 (x= 0.23)","Journal of Solid State Chemistry","1973","8","","150","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","145071","2020-10-21","18:00:00",""
"1524337","10.35","","10.35","","10.26","","90","","90","","120","","951.828","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce2 Mg17 -","- Ce2 Mg17 -","- Ce4 Mg34 -","2","0.0833333","","Evdokimenko, V.I.; Kripyakevich, P.I.","The crystal structures of magnesium-rich compounds in the systems La-Mg, Ce-Mg and Nd-Mg","Kristallografiya","1963","8","","186","193","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524433","3.765","","3.765","","13.27","","90","","90","","90","","188.105","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr La Cu O4","","- Cu La O4 Sr -","- Cu La O4 Sr -","- Cu2 La2 O8 Sr2 -","2","0.0625","","Goodenough, J.B.; Demazeau, G.; Pouchard, M.; Hagenmuller, P.","Sur une nouvelle phase oxygenee du cuivre +III: Sr La Cu O4","Journal of Solid State Chemistry","1973","8","","325","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524482","10.44","","10.44","","10.44","","90","","90","","90","","1137.89","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Cu0.5 Mg1.5) Sn S4","","- Cu0.5 Mg1.5 S4 Sn -","- Cu0.5 Mg1.5 S4 Sn -","- Cu4 Mg12 S32 Sn8 -","8","0.0416667","","Harada, S.","Some new sulfos-spinels containing iron-group transition metals","Materials Research Bulletin","1973","8","","1361","1370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524671","7.611","","5.536","","7.919","","89.88","","77.43","","87.15","","325.25","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Bi Nb O4 -","- Bi Nb O4 -","- Bi4 Nb4 O16 -","4","2","","Keve, E.T.; Skapski, A.C.","The crystal structure of triclinic beta-Bi Nb O4","Journal of Solid State Chemistry","1973","8","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524793","5.61","","5.61","","5.61","","90","","90","","90","","176.558","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Cu0.333 Ga0.333 Zn0.334) Se","","- Cu0.333 Ga0.333 Se Zn0.334 -","- Cu0.333 Ga0.333 Se Zn0.334 -","- Cu1.332 Ga1.332 Se4 Zn1.336 -","4","0.0416667","","Lambrecht, V.G.jr.","Preparation and crystal growth of materials in the pseudo-binary Cu In Se2 - Zn Se and Cu Ga Se2 - Zn Se systems","Materials Research Bulletin","1973","8","","1383","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524794","5.74","","5.74","","5.74","","90","","90","","90","","189.119","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Cu0.23 In0.23 Zn0.54) Se","","- Cu0.23 In0.23 Se Zn0.54 -","- Cu0.23 In0.23 Se Zn0.54 -","- Cu0.92 In0.92 Se4 Zn2.16 -","4","0.0416667","","Lambrecht, V.G.jr.","Prepatation and crystal growth of materials in the pseudo- binary Cu In Se2 - Zn Se and Cu Ga Se2 - Zn Se systems","Materials Research Bulletin","1973","8","","1383","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524854","6.548","","6.548","","6.548","","89.37","","89.37","","89.37","","280.703","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 Pb0.92 S4.25","","- Mo6 Pb0.92 S20 -","- Mo6 Pb0.92 S20 -","- Mo6 Pb0.92 S20 -","1","0.166667","","Marezio, M.; Dernier, P.D.; Corenzwit, E.; Remeika, J.P.; Matthias, B.T.","Superconductivity of ternary sulfides and the structure of Pb Mo6 S8","Materials Research Bulletin","1973","8","","657","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524905","4.046","","4.046","","4.5","","90","","90","","120","","63.796","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Eu (Co.5 Si1.5)","","- Co0.5 Eu Si1.5 -","- Co0.5 Eu Si1.5 -","- Co0.5 Eu Si1.5 -","1","0.0416667","","Mayer, I.; Felner, I.","The Al B2 structure in the Eu Mx Si2-x system","Journal of Solid State Chemistry","1973","8","","355","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524982","5.504","","5.488","","25.06","","90","","90","","90","","756.961","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","(Sr0.9 Ba0.1) Bi2 Ta2 O9","","- Ba0.1 Bi2 O9 Sr0.9 Ta2 -","- Ba0.1 Bi2 O9 Sr0.9 Ta2 -","- Ba0.4 Bi8 O36 Sr3.6 Ta8 -","4","0.5","","Newnham, R.E.; Wolfe, R.W.; Horsey, R.S.; Diaz-Colon, F.A.; Kay, M.I.","Crystal structure of (Sr, Ba) Bi2 Ta2 O9","Materials Research Bulletin","1973","8","","1183","1196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525029","4.905","","4.905","","3.948","","90","","90","","120","","82.259","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Eu Ni5 -","- Eu Ni5 -","- Eu Ni5 -","1","0.0416667","","Oliver, F.W.; West, K.W.; Cohen, R.L.; Buschow, K.H.J.","Mixed valency in Eu (Ni1-x Cux)5","Journal of Physics F","1978","8","","701","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525101","5.667","","5.667","","18.738","","90","","90","","120","","521.147","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba (Mn O3)","","- Ba Mn O3 -","- Ba Mn O3 -","- Ba8 Mn8 O24 -","8","0.333333","","Potoff, A.D.; Chamberland, B.L.; Katz, L.","A single crystal study of eight-layer barium manganese oxide, Ba Mn O3","Journal of Solid State Chemistry","1973","8","","234","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525127","4.109","","4.109","","5.18","","90","","90","","120","","75.741","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Co2 Sn -","- Co2 Sn -","- Co4 Sn2 -","2","0.0833333","","Rajeswari, H.; Manohar, H.","Crystal symmetry and cell parameters of the ordered phase of Co3 Sn2","Indian Journal for Pure and Applied Physics","1970","8","","363","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525426","5.241","","5.241","","11.033","","90","","90","","90","","303.055","","","","","","","","","","","","","3","I -4","I -4","82","","Ca Li2 U F8","","- Ca Li U -","- Ca Li U -","- Ca2 Li2 U2 -","2","0.25","","Vedrine, A.; Cousseins, J.C.; Baraduc, L.","Sur une nouvelle famille de composes M(II) M(IV) Li2 F8 de structure apparentee a celle de la Scheelite","Materials Research Bulletin","1973","8","","581","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525433","3.903","","3.903","","25.38","","90","","90","","90","","386.624","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Li Ta O2 F2","","- F2 Li O2 Ta -","- F2 Li O2 Ta -","- F10 Li5 O10 Ta5 -","5","0.15625","","Vlasse, M.; Chaminade, J.P.; Pouchard, M.","The crystal structure of lithium tantalum oxyfluoride Li Ta O2 F2","Materials Research Bulletin","1973","8","","117","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525475","9.005","","6.472","","7.533","","90","","115.85","","90","","395.096","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ca (Cr F5)","","- Ca Cr F5 -","- Ca Cr F5 -","- Ca4 Cr4 F20 -","4","0.5","","Wu, K.K.; Brown, I.D.","Refinement of the crystal structure of Ca Cr F5","Materials Research Bulletin","1973","8","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525539","7.062","","7.289","","14.704","","90","","95.4","","90","","753.528","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sr Fe F5","","- F5 Fe Sr -","- F5 Fe Sr -","- F40 Fe8 Sr8 -","8","2","","von der Muehll, R.; Daut, F.; Ravez, J.","Structure cristalline de Sr Fe F5","Journal of Solid State Chemistry","1973","8","","206","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525684","10.7319","","10.7319","","3.8674","","90","","90","","90","","445.423","","","","","","","","","","","","","5","P 4/m","-P 4","83","","(La6.4 Ca1.6) Cu6 Ni2 O20","","- Ca1.6 Cu6 La6.4 Ni2 O20 -","- Ca1.6 Cu6 La6.4 Ni2 O20 -","- Ca1.6 Cu6 La6.4 Ni2 O20 -","1","0.125","","Binsted, N.; Fjellvåg, H.; Owens, C.; Stange, M.; Weller, M. T.","Application of combined EXAFS and powder diffraction analysis in solid state chemistry","Journal of Synchrotron Radiation","2001","8","2","305","307","10.1107/S0909049500020276","","","","","","","","","","","","","","","","","","","","","has coordinates","174862","2020-10-21","18:00:00",""
"1526216","5.3934","","5.4364","","20.516","","90","","90","","90","","601.543","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- La3 Ni2 O6.94 -","- La3 Ni2 O6.94 -","- La12 Ni8 O27.76 -","4","0.125","","Park, J.-C.; Kim, D.-K.; Byeon, S.H.; Kim, D.","XANES study on Ruddlesden-Popper phase, La~n+1~Ni~n~O2~n+1~ (n = 1, 2 and ∞)","Journal of Synchrotron Radiation","2001","8","2","704","706","10.1107/S0909049500015983","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526267","8.265","","8.265","","8.265","","90","","90","","90","","564.584","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Li Zn.125 V1.875 O4","","- Li O4 V1.875 Zn0.125 -","- Li O4 V1.87 Zn0.13 -","- Li8 O32 V14.96 Zn1.04 -","8","0.0416667","","Pollert, E.","The Cation Distributions in the Spinel Phases of the Mixed Vanadium Oxides (Li Znx V2-x O4) and (Li Mgx V2-x O4)","Kristall und Technik","1973","8","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526268","8.299","","8.299","","8.299","","90","","90","","90","","571.58","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Li Zn.25 V1.75 O4","","- Li O4 V1.75 Zn0.25 -","- Li O4 V1.75 Zn0.25 -","- Li8 O32 V14 Zn2 -","8","0.0416667","","Pollert, E.","The Cation Distributions in the Spinel Phases of the Mixed Vanadium Oxides (Li Znx V2-x O4) and (Li Mgx V2-x O4)","Kristall und Technik","1973","8","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526270","8.264","","8.264","","8.264","","90","","90","","90","","564.379","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Li Mg.125 V1.875 O4","","- Li Mg0.125 O4 V1.875 -","- Li Mg0.13 O4 V1.87 -","- Li8 Mg1.04 O32 V14.96 -","8","0.0416667","","Pollert, E.","The Cation Distributions in the Spinel Phases of the Mixed Vanadium Oxides (Li Znx V2-x O4) and (Li Mgx V2-x O4)","Kristall und Technik","1973","8","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526271","8.294","","8.294","","8.294","","90","","90","","90","","570.548","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Li Mg.25 V1.75 O4","","- Li Mg0.25 O4 V1.75 -","- Li Mg0.25 O4 V1.75 -","- Li8 Mg2 O32 V14 -","8","0.0416667","","Pollert, E.","The Cation Distributions in the Spinel Phases of the Mixed Vanadium Oxides (Li Znx V2-x O4) and (Li Mgx V2-x O4)","Kristall und Technik","1973","8","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526272","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Li.98 Zn.36 V1.66 O4","","- Li0.98 O4 V1.66 Zn0.36 -","- Li0.98 O4 V1.66 Zn0.36 -","- Li7.84 O32 V13.28 Zn2.88 -","8","0.0416667","","Pollert, E.","The Cation Distributions in the Spinel Phases of the Mixed Vanadium Oxides (Li Znx V2-x O4) and (Li Mgx V2-x O4)","Kristall und Technik","1973","8","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1526662","9.23","","9.31","","12.975","","83.36","","84.1","","82.33","","1093.24","","","","","","","","","","","","","3","P -1","-P 1","2","","(Re6 Se4 Br4) Br6","","- Br10 Re6 Se4 -","- Br10 Re6 Se4 -","- Br20 Re12 Se8 -","2","1","","Solodovnikov, S.F.; Yarovoi, S.S.; Mironov, Yu.V.; Virovets, A.V.; Fedorov, V.E.","Crystal chemistry of octahedral clusters of rhenium chalcohalides Re6 X4 Y10 (X = S, Se, Te; Y = Cl, Br)","Khim. Interesakh. Ustoich. Razvit.","2000","8","","285","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","147896","2020-10-21","18:00:00",""
"1527032","8.355","","8.355","","8.355","","90","","90","","90","","583.229","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe0.92 Mg0.08) (Fe1.08 Ni0.2 Mg0.72) O4","","- Fe2 Mg0.8 Ni0.2 O4 -","- Fe2 Mg0.8 Ni0.2 O4 -","- Fe16 Mg6.4 Ni1.6 O32 -","8","0.0416667","","Yunus, S.M.; Asgar, M.A.; Ahmed, F.U.","Studies of the cationic distributions and magnetization of Zn - Mg - Ni ferrite system from X-ray and bulk magnetization measurements","Nuclear Science and Applications","1999","8","","57","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","148320","2020-10-21","18:00:00",""
"1527033","8.37","","8.37","","8.37","","90","","90","","90","","586.376","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe0.8 Zn0.2) (Fe1.2 Ni0.2 Mg0.6) O4","","- Fe2 Mg0.6 Ni0.2 O4 Zn0.2 -","- Fe2 Mg0.6 Ni0.2 O4 Zn0.2 -","- Fe16 Mg4.8 Ni1.6 O32 Zn1.6 -","8","0.0416667","","Yunus, S.M.; Asgar, M.A.; Ahmed, F.U.","Studies of the cationic distributions and magnetization of Zn - Mg - Ni ferrite system from X-ray and bulk magnetization measurements","Nuclear Science and Applications","1999","8","","57","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","148321","2020-10-21","18:00:00",""
"1527034","8.392","","8.392","","8.392","","90","","90","","90","","591.012","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe0.6 Zn0.4) (Fe1.4 Ni0.2 Mg0.4) O4","","- Fe2 Mg0.4 Ni0.2 O4 Zn0.4 -","- Fe2 Mg0.4 Ni0.2 O4 Zn0.4 -","- Fe16 Mg3.2 Ni1.6 O32 Zn3.2 -","8","0.0416667","","Yunus, S.M.; Asgar, M.A.; Ahmed, F.U.","Studies of the cationic distributions and magnetization of Zn - Mg - Ni ferrite system from X-ray and bulk magnetization measurements","Nuclear Science and Applications","1999","8","","57","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","148322","2020-10-21","18:00:00",""
"1527035","8.415","","8.415","","8.415","","90","","90","","90","","595.885","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe0.4 Zn0.6) (Fe1.6 Ni0.2 Mg0.2) O4","","- Fe2 Mg0.2 Ni0.2 O4 Zn0.6 -","- Fe2 Mg0.2 Ni0.2 O4 Zn0.6 -","- Fe16 Mg1.6 Ni1.6 O32 Zn4.8 -","8","0.0416667","","Yunus, S.M.; Ahmed, F.U.; Asgar, M.A.","Studies of the cationic distributions and magnetization of Zn - Mg - Ni ferrite system from X-ray and bulk magnetization measurements","Nuclear Science and Applications","1999","8","","57","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","148323","2020-10-21","18:00:00",""
"1527094","6.316","","6.865","","6.858","","90","","114.4","","90","","270.799","","","","","","","","","","","","","1","P 1 21/c 1","-P 2ybc","14","","Hg3 O2 Cl2","","- Hg -","- Hg -","- Hg6 -","6","1.5","","Aurivillius, K.","Studies on mercury(II)oxide chlorides and mercury(II) oxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","523","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:45",""
"1527126","14.445","","12.505","","15","","90","","90","","90","","2709.52","","","","","","","","","","","","","2","B b c m","-B 2 2ab","64","","(Ta6 I12) I2","","- I14 Ta6 -","- I14 Ta6 -","- I56 Ta24 -","4","","","Bauer, D.; von Schnering, H.G.; Schaefer, H.","Darstellung, Eigenschaften, Struktur von Ta6 J14","Journal of the Less-Common Metals","1965","8","","388","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527278","3.009","","3.009","","3.009","","90","","90","","90","","27.244","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Tc0.8 Si0.2)","","- Si0.2 Tc0.8 -","- Si0.2 Tc0.8 -","- Si0.4 Tc1.6 -","2","0.0208333","","Darby, J.B.jr.; Downey, J.W.; Norton, L.J.","Intermediate phases in the technetium-aluminium and technetium-silicon systems","Journal of the Less-Common Metals","1965","8","","15","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","148757","2020-10-21","18:00:00",""
"1527760","6.551","","6.551","","6.551","","89.33","","89.33","","89.33","","281.083","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Pb0.92 Mo6 S7.5","","- Mo6 Pb0.92 S7.5 -","- Mo6 Pb0.92 S7.5 -","- Mo6 Pb0.92 S7.5 -","1","0.166667","","Marezio, M.; Remeika, J.P.; Dernier, P.D.; Corenzwit, E.; Matthias, B.T.","Superconductivity of ternary sulfides and the structure of Pb Mo6 S8","Materials Research Bulletin","1973","8","","657","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528028","5.549","","5.549","","5.549","","90","","90","","90","","170.861","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mo3 O -","- Mo3 O -","- Mo9 O3 -","3","0.015625","","Schoenberg, N.","On the existence of a metallic molybdenum oxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","617","619","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528029","4.544","","4.544","","4.544","","90","","90","","90","","93.824","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Cr3 O -","- Cr3 O -","- Cr6 O2 -","2","0.0416667","","Schoenberg, N.","X-ray studies on vanadium and chromium oxides with low oxygen content","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","221","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528159","5.97","","10.6","","7.76","","90","","90","","90","","491.068","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","(N H4)2 (S O4)","","- H8 N2 O4 S -","- H8 N2 O4 S -","- H32 N8 O16 S4 -","4","0.5","","Udalova, V.V.; Pinsker, Z.G.","Electron diffraction study of the structure of ammonium sulfate","Kristallografiya","1963","8","","538","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528172","8.11","","8.47","","5.92","","90","","90","","90","","406.655","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cu2 (P O4) (O H)","","- Cu2 H O5 P -","- Cu2 O5 P -","- Cu8 O20 P4 -","4","0.5","","Walitzi, E.M.","Strukturverfeinerung von Libethenit Cu2 (O H) (P O4)","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1963","8","","614","624","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528213","5.454","","6.441","","5.194","","90","","90","","90","","182.461","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Zn Ge N2","","- Ge N2 Zn -","- Ge N2 Zn -","- Ge4 N8 Zn4 -","4","1","","Wintenberger, M.; Laurent, Y.; Maunaye, M.","Groupe spatial et ordre des atomes de zinc et de germanium dans Zn Ge N2","Materials Research Bulletin","1973","8","","1049","1054","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528279","5.58","","5.58","","21.84","","90","","90","","120","","588.914","","","","","","","","","","","","","5","?","?","","","(N H4)2 Pb (S O4)2","","- H8 N2 O8 Pb S2 -","- H8 N2 O8 Pb S2 -","- H24 N6 O24 Pb3 S6 -","3","","","Knakkergaard Moeller, C.","The structure of Pb (N H4)2 (S O4)2 and related compounds","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","81","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","206178","2020-10-21","18:00:00",""
"1528295","6.5965","","10.9595","","9.6633","","90","","96.457","","90","","694.17","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","La2 (S O4)2 (C4 O4) (H2 O)4","","- C4 H8 La2 O16 S2 -","- C4 H8 La2 O16 S2 -","- C8 H16 La4 O32 S4 -","2","0.5","","Akkari, H.; Merazig, H.; Benard-Rocherulle, P.; Roisnel, T.; Rocherulle, J.","Hydrothermal synthesis, crystal structure and thermal behaviour of the first lanthanide sulfato-squarate, La2 (H2 O)4 (S O4)2 (C4 O4)","Solid State Sciences","2006","8","","704","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528304","5.5031","","5.4653","","7.7961","","90","","90","","90","","234.476","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","Sr0.94 La0.94 Mn Ti O6","","- La0.94 Mn O6 Sr0.94 Ti -","- La0.948 Mn O6 Sr0.948 Ti -","- La1.896 Mn2 O12 Sr1.896 Ti2 -","2","0.25","","Alvarez-Serrano, I.; Veiga, M.L.; Pico, C.; Lopez, M.L.","CMR in a manganite with 50% of Ti in Mn sites","Solid State Sciences","2006","8","","37","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528342","10.15","","10.15","","6.7938","","90","","90","","120","","606.144","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca5 (V O4)3 Cl","","- Ca5 Cl O12 V3 -","- Ca5 Cl1.002 O12 V3 -","- Ca10 Cl2.004 O24 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528343","10.2073","","10.2073","","7.3067","","90","","90","","120","","659.286","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Sr5 (V O4)3 Cl","","- Cl O12 Sr5 V3 -","- Cl O12 Sr5 V3 -","- Cl2 O24 Sr10 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528344","10.5468","","10.5468","","7.7437","","90","","90","","120","","745.969","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ba5 (V O4)3 Cl","","- Ba5 Cl O12 V3 -","- Ba5 Cl O12 V3 -","- Ba10 Cl2 O24 V6 -","2","0.166667","","Beck, H.P.; Douiheche, M.; Haberkorn, R.; Kohlmann, H.","Synthesis and characterisation of chloro-vanadato-apatites M5 (V O4)3 Cl (M = Ca, Sr, Ba)","Solid State Sciences","2006","8","","64","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528347","17.045","","6.66","","6.473","","90","","90","","90","","734.813","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Pb P S4","","- K P Pb S4 -","- K P Pb S4 -","- K4 P4 Pb4 S16 -","4","0.5","","Belkyal, I.; El Azhari, M.; Wu, Y.-D.; Depmeier, W.; Hesse, K.F.; Bensch, W.","Synthesis and crystal structure of the new quaternary thiophosphate K Pb P S4","Solid State Sciences","2006","8","","59","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528401","3.7756","","3.7756","","12.47488","","90","","90","","90","","177.831","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Nd Sr Ni0.8 Cu0.2 O3.94","","- Cu0.2 Nd Ni0.8 O3.94 Sr -","- Cu0.2 Nd Ni0.8 O3.944 Sr -","- Cu0.4 Nd2 Ni1.6 O7.888 Sr2 -","2","0.0625","","Chaker, H.; Ben Hassen, R.; Roisnel, T.; Amami, M.; Cador, O.","Neutron powder diffraction studies of Nd Sr Ni(1-x) Cu(x) O(4-delta), 0 <= x <= 1, and magnetic properties","Solid State Sciences","2006","8","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528402","3.75581","","3.75581","","12.64663","","90","","90","","90","","178.395","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Nd Sr Ni0.4 Cu0.6 O3.78","","- Cu0.6 Nd Ni0.4 O3.78 Sr -","- Cu0.6 Nd Ni0.4 O3.784 Sr -","- Cu1.2 Nd2 Ni0.8 O7.568 Sr2 -","2","0.0625","","Chaker, H.; Roisnel, T.; Ben Hassen, R.; Cador, O.; Amami, M.","Neutron powder diffraction studies of Nd Sr Ni(1-x) Cu(x) O(4-delta), 0 <= x <= 1, and magnetic properties","Solid State Sciences","2006","8","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528441","28.3409","","5.9407","","28.6585","","90","","114.264","","90","","4398.85","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sr Te O3","","- O3 Sr Te -","- O3 Sr Te -","- O144 Sr48 Te48 -","48","6","","Dityat'yev, O.A.; Aldous, D.W.; Dolgikh, V.A.; Berdonosov, P.S.; Lightfoot, P.","On the crystal structures of Sr Te O3","Solid State Sciences","2006","8","","830","835","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528449","12.669","","3.8509","","9.585","","90","","91","","90","","467.553","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Mn Sb S2 Br","","- Br Mn S2 Sb -","- Br Mn S2 Sb -","- Br4 Mn4 S8 Sb4 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528450","9.995","","4.0275","","12.928","","90","","90","","90","","520.415","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Bi Se2 Br","","- Bi Br Mn Se2 -","- Bi Br Mn Se2 -","- Bi4 Br4 Mn4 Se8 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528451","10.005","","3.972","","12.871","","90","","90","","90","","511.492","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Mn Sb Se2 Br","","- Br Mn Sb Se2 -","- Br Mn Sb Se2 -","- Br4 Mn4 Sb4 Se8 -","4","0.5","","Doussier, C.; Moelo, Y.; Leone, P.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528452","10.046","","25.994","","3.9689","","90","","90","","90","","1036.42","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Mn2 Sb2 Se4 Br2","","- Br2 Mn2 Sb2 Se4 -","- Br2 Mn2 Sb2 Se4 -","- Br8 Mn8 Sb8 Se16 -","4","0.5","","Doussier, C.; Leone, P.; Moelo, Y.","Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)","Solid State Sciences","2006","8","","652","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","150691","2020-10-21","18:00:00",""
"1528456","5.58","","7.208","","8.309","","90","","90","","90","","334.193","","","","","","","","","","","","","4","P m c b","-P 2bc 2","55","","Er Al Ge O5","","- Al Er Ge O5 -","- Al Er Ge O5 -","- Al4 Er4 Ge4 O20 -","4","0.5","","Durand, A.; Mentre, O.; Abraham, F.; Elouadi, B.; Fukuda, T.","Crystal structure or Er Al Ge O5 and evidence of a peculiar double coordination sphere of Al(III) and Ge(IV) cations","Solid State Sciences","2006","8","","155","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528509","6.1869","","11.2066","","7.1484","","90","","90","","90","","495.628","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y Cu O2.5","","- Cu O2.5 Y -","- Cu O2.5 Y -","- Cu8 O20 Y8 -","8","1","","Garlea, V.O.; Bordet, P.; Darie, C.; Isnard, O.","Synthesis and neutron diffraction structural analysis of oxidized delafossite Y Cu O2.5","Solid State Sciences","2006","8","","457","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528666","5.59656","","5.58147","","20.5643","","90","","90.007","","90","","642.368","","","","","","","","","","","","","5","P -1","-P 1","2","","Pr2 Ba Li Ru O7","","- Ba Li O7 Pr2 Ru -","- Ba0.5 Li0.5 O3.5 Pr Ru0.5 -","- Ba2 Li2 O14 Pr4 Ru2 -","4","2","","Battle, P.D.; Grey, C.P.; Rodgers, J.A.; Sloan, J.","Structural chemistry of Ln2 Ba Li Ru O7 (Ln = La, Pr)","Solid State Sciences","2006","8","","280","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528667","5.5957","","5.5894","","20.8326","","90","","89.984","","90","","651.573","","","","","","","","","","","","","5","P -1","-P 1","2","","La2 Ba Li Ru O7","","- Ba La2 Li O7 Ru -","- Ba0.5 La Li0.4995 O3.5 Ru0.5005 -","- Ba2 La4 Li1.998 O14 Ru2.002 -","4","2","","Battle, P.D.; Grey, C.P.; Rodgers, J.A.; Sloan, J.","Structural chemistry of Ln2 Ba Li Ru O7 (Ln = La, Pr)","Solid State Sciences","2006","8","","280","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528670","4.2775","","4.2775","","9.3653","","90","","90","","120","","148.399","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Li Zn Ge","","- Ge Li Zn -","- Ge Li Zn -","- Ge3 Li3 Zn3 -","3","0.25","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528671","7.555","","7.555","","24.449","","90","","90","","120","","1208.54","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li8 Zn2 Ge3","","- Ge3 Li8 Zn2 -","- Ge3 Li8 Zn2 -","- Ge18 Li48 Zn12 -","6","0.333333","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","151201","2020-10-21","18:00:00",""
"1528672","6.1136","","6.1136","","6.1136","","90","","90","","90","","228.503","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Li2 Zn Ge","","- Ge Li2 Zn -","- Ge Li2 Zn -","- Ge4 Li8 Zn4 -","4","0.0416667","","Lacroix-Orio, L.; Tillard, M.; Belin, C.","Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network","Solid State Sciences","2006","8","","208","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528679","5.556","","3.7627","","7.056","","90","","101.36","","90","","144.62","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ca Al2 O4","","- Al2 Ca O4 -","- Al2 Ca O4 -","- Al4 Ca2 O8 -","2","0.5","","Lazic, B.; Kahlenberg, V.; Konzett, J.; Kaindl, R.","On the polymorphism of Ca Al2 O4 - structural investigations of two high pressure modifications","Solid State Sciences","2006","8","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528680","8.92004","","10.3155","","2.87129","","90","","90","","90","","264.201","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Ca Al2 O4","","- Al2 Ca O4 -","- Al2 Ca O4 -","- Al8 Ca4 O16 -","4","0.5","","Lazic, B.; Konzett, J.; Kahlenberg, V.; Kaindl, R.","On the polymorphism of Ca Al2 O4 - structural investigations of two high pressure modifications","Solid State Sciences","2006","8","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528682","31.721","","12.931","","12.905","","90","","90","","90","","5293.43","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","Pb (Pb O) Br (Mo O)2 (P O4)3","","- Br Mo2 O15 P3 Pb2 -","- Br Mo2 O15 P3 Pb2 -","- Br16 Mo32 O240 P48 Pb32 -","16","1","","Leclaire, A.","A novel Mo(V) monophosphate with bromine and mixed valent lead and a Pb=O double bond: Pb(2+) (Pb(4+) O) Br (Mo(5+) O)2 (P O4)3","Solid State Sciences","2006","8","","660","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528683","8.8977","","9.9956","","24.212","","90","","97.816","","90","","2133.36","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cd5 Mo2 (P2 O7)4","","- Cd5 Mo2 O28 P8 -","- Cd5 Mo2 O28 P8 -","- Cd20 Mo8 O112 P32 -","4","0.5","","Leclaire, A.; Raveau, B.","A new Mo(III) cadmium diphosphate Cd5 Mo2 (P2 O7)4","Solid State Sciences","2006","8","","332","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","151226","2020-10-21","18:00:00",""
"1528753","5.803","","5.803","","19.07599","","90","","90","","120","","556.318","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Li Ba4 Nb3 O12","","- Ba4 Li Nb3 O12 -","- Ba4 Li Nb3 O12 -","- Ba8 Li2 Nb6 O24 -","2","0.166667","","Negas, T.; Roth, R.S.; Parker, S.; Brower, W.S.","Crystal chemistry of lithium in octahedrally coordinated structures. I. Synthesis of Ba8 (Me6 Li2) O24 (Me = Nb or Ta) and Ba10 (W6 Li4) O30. II. The tetragonal bronze phase in the system Ba O - Nb2 O5 Li2 O","Journal of Solid State Chemistry","1973","8","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528754","5.802","","5.802","","19.08499","","90","","90","","120","","556.388","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Li Ba4 Ta3 O12","","- Ba4 Li O12 Ta3 -","- Ba4 Li O12 Ta3 -","- Ba8 Li2 O24 Ta6 -","2","0.166667","","Negas, T.; Roth, R.S.; Brower, W.S.; Parker, S.","Crystal chemistry of lithium in octahedrally coordinated structures. I. Synthesis of Ba8 (Me6 Li2) O24 (Me = Nb or Ta) and Ba10 (W6 Li4) O30. II. The tetragonal bronze phase in the system Ba O - Nb2 O5 Li2 O","Journal of Solid State Chemistry","1973","8","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528755","5.76","","5.76","","23.74199","","90","","90","","120","","682.17","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Li2 Ba5 W3 O15","","- Ba5 Li2 O15 W3 -","- Ba5 Li2 O15 W3 -","- Ba10 Li4 O30 W6 -","2","0.166667","","Negas, T.; Roth, R.S.; Brower, W.S.; Parker, S.","Crystal chemistry of lithium in octahedrally coordinated structures. I. Synthesis of Ba8 (Me6 Li2) O24 (Me = Nb or Ta) and Ba10 (W6 Li4) O30. II. The tetragonal bronze phase in the system Ba O - Nb2 O5 Li2 O","Journal of Solid State Chemistry","1973","8","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","151402","2020-10-21","18:00:00",""
"1528872","5.7155","","5.7155","","13.951","","90","","90","","120","","394.679","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba2 (Cr Mo O6)","","- Ba2 Cr Mo O6 -","- Ba2 Cr1.00667 Mo0.993333 O6 -","- Ba6 Cr3.02 Mo2.98 O18 -","3","0.125","","Sher, F.; Attfield, J.P.","Synthesis, structure and magnetic properties of Ba2 Cr Mo O6","Solid State Sciences","2006","8","","277","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528889","6.174","","10.75","","11.852","","90","","90.51","","90","","786.592","","","","","","","","","","","","","3","I 1 a 1","I -2ya","9","","Na3 Fe O3","","- Fe Na3 O3 -","- Fe Na3 O3 -","- Fe8 Na24 O24 -","8","2","","Sofin, M.; Jansen, M.","Synthesis, crystal structure and magnetic properties of beta-Na3 Fe O3","Solid State Sciences","2006","8","","19","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528892","8.205","","10.506","","4.146","","90","","109.58","","90","","336.726","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(N H4)2 C4 O4","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C8 H16 N4 O8 -","2","0.25","","Stein, I.; Naether, C.; Ruschewitz, U.","(N H4)2 (C4 O4), an anhydrous alt of acetylenedicarboxylic acid","Solid State Sciences","2006","8","","353","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528977","2.9149","","2.9149","","24.092","","90","","90","","120","","177.276","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag2 Ni O2 -","- Ag2 Ni O2 -","- Ag6 Ni3 O6 -","3","0.0833333","","Wedig, U.; Nuss, J.; Adler, P.; Modrow, H.; Jansen, M.","Studies on the electronic structure of Ag2 Ni O2, an intercalated delafossite containing subvalent silver","Solid State Sciences","2006","8","","753","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529010","7.732","","11.571","","11.502","","90","","109.491","","90","","970.078","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Nd1.8 Er0.2) W3 O12","","- Er0.2 Nd1.8 O12 W3 -","- Er0.2 Nd1.8 O12 W3 -","- Er0.8 Nd7.2 O48 W12 -","4","0.5","","Wu, M.M.; Peng, J.; Yu, Z.X.; Wang, H.; Cheng, Y.Z.; Hu, Z.B.; Chen, D.F.","Structure and thermal expansion properties of solid solution Nd(2-x) Er(x) W3 O12 (0.0 <= x <= 0.6 and 1.5 <= x <= 2.0)","Solid State Sciences","2006","8","","665","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","151924","2020-10-21","18:00:00",""
"1529011","7.711","","11.537","","11.476","","90","","109.503","","90","","962.349","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Nd1.6 Er0.4) W3 O12","","- Er0.4 Nd1.6 O12 W3 -","- Er0.4 Nd1.6 O12 W3 -","- Er1.6 Nd6.4 O48 W12 -","4","0.5","","Wu, M.M.; Peng, J.; Cheng, Y.Z.; Yu, Z.X.; Wang, H.; Chen, D.F.; Hu, Z.B.","Structure and thermal expansion properties of solid solution Nd(2-x) Er(x) W3 O12 (0.0 <= x <= 0.6 and 1.5 <= x <= 2.0)","Solid State Sciences","2006","8","","665","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","151925","2020-10-21","18:00:00",""
"1529304","9.0223","0.0006","35.5424","0.0015","9.3818","0.0006","90","","118.65","0.003","90","","2640.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C108 H144 O36 -","12","3","","Feghali, Elias; Carrot, Géraldine; Thuéry, Pierre; Genre, Caroline; Cantat, Thibault","Convergent reductive depolymerization of wood lignin to isolated phenol derivatives by metal-free catalytic hydrosilylation","Energy Environ. Sci.","2015","8","9","2734","","10.1039/C5EE01304F","","","0.71073","MoKα","","0.0628","0.0445","","","0.1204","0.1291","","","","","","1.049","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1529305","18.8855","0.0012","7.9784","0.0006","11.2136","0.0006","90","","90","","90","","1689.62","0.19","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C72 H96 O16 -","8","2","","Feghali, Elias; Carrot, Géraldine; Thuéry, Pierre; Genre, Caroline; Cantat, Thibault","Convergent reductive depolymerization of wood lignin to isolated phenol derivatives by metal-free catalytic hydrosilylation","Energy Environ. Sci.","2015","8","9","2734","","10.1039/C5EE01304F","","","0.71073","MoKα","","0.0378","0.0327","","","0.0793","0.0815","","","","","","1.079","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1530010","4.937","","6.746","","7.764","","90","","106.13","","90","","248.401","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","K Te O F3","","- F3 K O Te -","- F3 K O Te -","- F6 K2 O2 Te2 -","2","1","","Gorbunova, Yu.E.; Linde, S.A.; Buslaev, Yu.A.; Pakhomov, V.I.; Kokunov, Yu.V.","Structure of crystalline oxofluoride compounds of tellurium(IV)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","389","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530011","6.266","","6.636","","10.709","","90","","95.64","","90","","443.137","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N H4 Te O (O H) F2","","- F2 H5 N O2 Te -","- F2 H3 N O2 Te -","- F8 H12 N4 O8 Te4 -","4","1","","Gorbunova, Yu.E.; Pakhomov, V.I.; Linde, S.A.; Kokunov, Yu.V.; Buslaev, Yu.A.","Structure of crystalline oxofluoride compounds of tellurium(IV)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","389","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530012","4.761","","11.634","","20.931","","90","","90","","90","","1159.36","","","","","","","","","","","","","4","F 2 d d","F -2d 2","43","","Te2 O (O H)2 F4","","- F4 H2 O3 Te2 -","- F4 H2 O3 Te2 -","- F32 H16 O24 Te16 -","8","0.5","","Gorbunova, Yu.E.; Kokunov, Yu.V.; Linde, S.A.; Pakhomov, V.I.; Buslaev, Yu.A.","Structure of crystalline oxofluoride compounds of tellurium(IV)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","389","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530198","9.836","","20.578","","5.8147","","90","","90","","89.88","","1176.92","","","","","","","","","","","","","3","B 1 1 2/b","-B 2b","15","","Ba Sc2 O4","","- Ba O4 Sc2 -","- Ba O4 Sc2 -","- Ba12 O48 Sc24 -","12","1.5","","Kovba, L.M.; Lykova, L.N.; Kalinina, T.A.; Chizhov, S.M.","Crystal structure of Ba Sc2 O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","553","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530522","7.441","","8.343","","7.061","","90","","90","","98.98","","432.976","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","Tl Sb F4","","- F4 Sb Tl -","- F4 Sb Tl -","- F16 Sb4 Tl4 -","4","1","","Ovchinnikov, V.E.; Udovenko, A.A.; Solov'eva, L.P.; Davidovich, R.L.; Volkova, L.M.","Crystal structures of thallium and ammonium tetrafluoroantimonies(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","697","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530523","8.184","","16.407","","6.947","","90","","90","","104.32","","903.825","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","N H4 Sb F4","","- F4 H4 N Sb -","- F4 H4 N Sb -","- F32 H32 N8 Sb8 -","8","2","","Ovchinnikov, V.E.; Udovenko, A.A.; Solov'eva, L.P.; Volkova, L.M.; Davidovich, R.L.","Crystal sturctures of thallium and ammonium tetrafluoroantimonies(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","697","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530524","9.566","","15.804","","6.36","","90","","90","","90","","961.512","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Cs Sb F4","","- Cs F4 Sb -","- Cs F4 Sb -","- Cs8 F32 Sb8 -","8","1","","Ovchinnikov, V.E.; Udovenko, A.A.; Solov'eva, L.P.; Davidovich, R.L.; Volkova, L.M.","Structure cristalline du tetrafluoroantimoniate(III) de caesium Cs Sb F4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","1539","1541","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530609","10.514","","10.514","","19.987","","90","","90","","120","","1913.44","","","","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Nd (O2 S N)3 (H2 O)6","","- H12 N3 Nd O12 S3 -","- N3 Nd O12 S3 -","- N18 Nd6 O72 S18 -","6","0.333333","","Porai-Koshits, M.A.; Sokol, V.I.; Kop'eva, M.A.","Rare-earth trisulfimidates. Crystal structure of (H2 O)6 Nd (O2 S N)3","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1982","8","","702","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531169","8.409","","8.409","","8.409","","90","","90","","90","","594.611","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Co Fe V O4","","- Co Fe O4 V -","- Co Fe O4 V -","- Co8 Fe8 O32 V8 -","8","0.0416667","","Bernier, J.C.; Both, E.","Moessbauer Effect on the Spinel Oxide Fe Co V O4","Materials Research Bulletin","1973","8","","253","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531317","5.3846","","5.4291","","7.66","","90","","90","","90","","223.929","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Ca (Ti0.6 Fe0.4) O2.8","","- Ca Fe0.4 O2.8 Ti0.6 -","- Ca1.007 Fe0.4 O2.8 Ti0.6 -","- Ca4.028 Fe1.6 O11.2 Ti2.4 -","4","0.5","","Dunyushkina, L. A.; Gorbunov, V. A.","Crystal Structure and Electrical Conductivity Correlation in CaTi~1-x~Fe~x~O~3-δ~","Ionics","2002","8","3-4","256","261","10.1007/BF02376076","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531705","20.902","","11.623","","4.759","","90","","90","","90","","1156.17","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","H2 Te2 O3 F4","","- F4 H2 O3 Te2 -","- F4 H2 O3 Te2 -","- F32 H16 O24 Te16 -","8","0.5","","Jumas, J.C.; Philippot, E.; Maurin, M.","Sur les Composes Fluores et Oxyfluores du Tellure(IV). Synthese, Caracterisation et Etude Structurale de l'Acide Trioxotetrafluoroditellurique(IV), H2 Te2 O3 F4","Journal of Fluorine Chemistry","1976","8","","329","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531972","24.837","","24.837","","24.837","","90","","90","","90","","15321.4","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ca40 Al80 Si112 O384 (H2 O)116","","- Al80.0064 Ca40.32 O467.776 Si111.994 -","- Al80.0064 Ca40.32 O467.776 Si111.994 -","- Al80.0064 Ca40.32 O467.776 Si111.994 -","1","0.00520833","","Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the faujasite-type framework VIII. Hydrated Ca-exchanged X","Materials Research Bulletin","1973","8","","459","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","157582","2020-10-21","18:00:00",""
"1532698","9.6403","","9.6403","","21.2396","","90","","90","","120","","1709.46","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Sr10.5 Rh7.5 O24","","- O24 Rh7.5 Sr10.5 -","- O24 Rh7.5 Sr10.5 -","- O72 Rh22.5 Sr31.5 -","3","0.25","","Boulahya, K.; Hernando, M.; Varela, A.; Parras, M.; Gonzalez-Calbet, J.M.; Amador, U.","Strategies to stabilize new members of the (A3 A' B O6)alpha (A3 B3 O9)beta. Homologous series in the Sr - Rh - O system: structure of the one-dimensional (alpha = 3, beta = 2) (Sr10 (Sr0.5 Rh1.5)TP (Rh6)Oh) O24 oxide","Chemistry - A European Journal","2002","8","","4973","4979","","","","","","","","","","","","","","","","","","","","","","has coordinates","158654","2020-10-21","18:00:00",""
"1534566","9.5294","","9.5294","","6.1262","","90","","90","","120","","481.785","","","","","","","","","","","","","6","P 3 2 1","P 3 2""","150","","Ba Sm5 (Si9 Al3 N20) O","","- Al3 Ba N20 O Si9 Sm5 -","- Al3 Ba N20 O Si9 Sm5 -","- Al3 Ba N20 O Si9 Sm5 -","1","0.166667","","Lieb, A.; Schnick, W.","Ba Sm5 [Si9 Al3 N20] O - a nitridoaluminosilicate oxide with a new structure type composed of star-shaped [N(4) ((Si,Al) N3)4] units as secondary building units","Solid State Sciences","2006","8","","185","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534573","32.0481","","32.0481","","17.3208","","90","","90","","90","","17789.9","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K11 U7 (P S4)13","","- K11 P13 S52 U7 -","- K11 P13 S52 U7 -","- K88 P104 S416 U56 -","8","0.5","","Gieck, C.; Tremel, W.","Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb)","Chemistry - A European Journal","2002","8","","2980","2987","","","","","","","","","","","","","","","","","","","","","","has coordinates","161407","2020-10-21","18:00:00",""
"1534576","32.1641","","32.1641","","17.7244","","90","","90","","90","","18336.4","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb11 U7 (P S4)13","","- P13 Rb11 S52 U7 -","- P13 Rb11 S52 U7 -","- P104 Rb88 S416 U56 -","8","0.5","","Gieck, C.; Tremel, W.","Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb)","Chemistry - A European Journal","2002","8","","2980","2987","","","","","","","","","","","","","","","","","","","","","","has coordinates","161412","2020-10-21","18:00:00",""
"1534589","11.054","","11.054","","7.718","","90","","90","","120","","816.722","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba5 (Re O5)3 N O3","","- Ba5 N O18 Re3 -","- Ba5 N O18 Re3 -","- Ba10 N2 O36 Re6 -","2","0.166667","","Aneas, M.; Besse, J.P.; Picard, J.P.; Baud, G.; Chevalier, R.","Mise en evidence de l'ion N O3(-) dans l'apatite au rhenium Ba5 (Re O5)3 N O3","Materials Chemistry and Physics","1983","8","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535917","3.9908","","3.9908","","22.079","","90","","90","","120","","304.53","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ba2 N -","- Ba2 N -","- Ba6 N3 -","3","0.0833333","","Vajenine, G.V.; Grzechnik, A.; Loa, I.; Syassen, K.; Simon, A.; Hanfland, M.","Interplay of metallic and ionic bonding in layered subnitrides AE2 N (AE = Ca, Sr, or Ba) under high pressure","Comptes Rendus Chimie","2005","8","","1897","1905","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535920","9.635","","13.134","","4.085","","90","","90","","90","","516.941","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","Sb8 (O H)6 O8 Cl2 (H2 O)","","- Cl2 H8 O15 Sb8 -","- Cl2 O15 Sb8 -","- Cl2 O15 Sb8 -","1","0.0625","","Edstrand, M.","On the structures of antimony(III) oxide halogenides. III. The crystal structure of (Sb8 O8 (O H)4) ((O H)2-x (H2 O)1+x) Cl2+x","Arkiv foer Kemi","1955","8","","257","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535922","3.553","","3.553","","18.114","","90","","90","","120","","198.032","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ca2 N -","- Ca2 N -","- Ca6 N3 -","3","0.0833333","","Vajenine, G.V.; Loa, I.; Grzechnik, A.; Syassen, K.; Hanfland, M.; Simon, A.","Interplay of metallic and ionic bonding in layered subnitrides AE2 N (AE = Ca, Sr, or Ba) under high pressure","Comptes Rendus Chimie","2005","8","","1897","1905","10.1016/j.crci.2005.02.030","","","","","","","","","","","","","","","","","","","","","has coordinates","282212","2023-04-03","10:59:39",""
"1535925","19.31","","4.14","","10.93","","90","","109.6","","90","","823.152","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Sb8 O10 (O H)2 I2","","- H2 I2 O12 Sb8 -","- I2 O12 Sb8 -","- I4 O24 Sb16 -","2","0.25","","Edstrand, M.","On the structures of antimony(III) oxide halogenides. IV. The crystal structure of Sb8 O10 (O H)2 I2 and isomorphous bromide and chloride","Arkiv foer Kemi","1955","8","","279","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","163432","2020-10-21","18:00:00",""
"1535927","3.7622","","3.7622","","19.589","","90","","90","","120","","240.119","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sr2 N","","- N Sr2 -","- N Sr2 -","- N3 Sr6 -","3","0.0833333","","Vajenine, G.V.; Loa, I.; Grzechnik, A.; Syassen, K.; Simon, A.; Hanfland, M.","Interplay of metallic and ionic bonding in layered subnitrides AE2 N (AE = Ca, Sr, or Ba) under high pressure","Comptes Rendus Chimie","2005","8","","1897","1905","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535930","19.12","","4.08","","10.51","","90","","110","","90","","770.436","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Sb8 O10 (O H)2 Br2","","- Br2 H2 O12 Sb8 -","- Br2 O12 Sb8 -","- Br4 O24 Sb16 -","2","0.25","","Edstrand, M.","On the structures of antimony(III) oxide halogenides. IV. The crystal structure of Sb8 O10 (O H)2 I2 and isomorphous bromide and chloride","Arkiv foer Kemi","1955","8","","279","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536077","13.0749","","17.817","","24.205","","90","","119.047","","90","","4929.46","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Na12 (Co3 W (D2 O)2 (Zn W9 O34)2) (H2 O)40","","- Co3 D4 H80 Na12 O110 W19 Zn2 -","- Co3 Na12 O110 W19 Zn2 -","- Co6 Na24 O220 W38 Zn4 -","2","0.5","","Clemente-Juan, J.M.; Guedel, H.U.; Coronado, E.; Gaita-Arino, A.; Gimenez-Saiz, C.; Chaboussant, G.; Burriel, R.; Mutka, H.","Magnetism in polyoxometalates: Anisotropic exchange interactions in the Co moiety of [Co3 W (D2 O)2 (Zn W9 O34)2]12- - A magnetic and inelastic neutron scattering study","Chemistry - A European Journal","2002","8","","5701","5708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536095","27.627","","27.627","","20.613","","90","","90","","90","","15732.9","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Ta97 Te60 -","- Ta97 Te60 -","- Ta388 Te240 -","4","1","","Conrad, M.; Harbrecht, B.","Ta97 Te60: a crystalline approximant of a tantalum telluride quasicrystal with twelvefold rotational symmetry","Chemistry - A European Journal","2000","8","","3094","3102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536443","9.6957","","14.046","","20.238","","90","","90","","90","","2756.13","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cs (W6 C Cl18) (C H3 O H)","","- C2 H4 Cl18 Cs O W6 -","- C2 H4 Cl18 Cs O W6 -","- C8 H16 Cl72 Cs4 O4 W24 -","4","1","","Weisser, M.; Meyer, H.J.; Stroebele, M.","A synthesis route for carbon-centered triprismo-hexatungsten cluster compounds and the crystal structure of Cs [W6 C Cl18] * (C H3 O H)","Comptes Rendus Chimie","2005","8","","1820","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536498","20.6754","","11.1509","","14.5769","","90","","133.865","","90","","2422.98","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Li3 (Mo8 S8 O8 (O H)8 (H W O5 (H2 O))) (H2 O)18","","- H47 Li3 Mo8 O40 S8 W -","- H47 Li3 Mo8 O39.98 S8 W -","- H94 Li6 Mo16 O79.96 S16 W2 -","2","0.25","","Dolbecq, A.; du Peloux, C.; Auberty, A.L.; Secheresse, F.; Barboux, P.; Mason, S.A.; Cadot, E.; Marrot, J.","Synthesis, X-ray and neutron diffraction characterization and ionic conduction properties of a new oxothiomolybdate Li3 (Mo8 S8 O8 (O H)8 (H W O5 (H2 O))) * 18(H2 O)","Chemistry - A European Journal","2002","8","","350","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536778","7.607","","6.074","","9.446","","90","","90","","90","","436.452","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Pb Zn (O H) (V O4)","","- H O5 Pb V Zn -","- O5 Pb V Zn -","- O20 Pb4 V4 Zn4 -","4","0.5","","Qurashi, M.M.; Barnes, W.H.","The structures of the minerals of the descloizite and adelite group. V: Descloizite and conichalcite (part 3)","Canadian Mineralogist","1964","8","","23","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537007","19.082","","19.082","","6.691","","90","","90","","120","","2109.94","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","(Cu I)3 (P4 S4)","","- Cu3 I3 P4 S4 -","- Cu3 I3 P4 S4 -","- Cu18 I18 P24 S24 -","6","0.5","","Reiser, S.; Brunklaus, G.; Hong, J.H.; Chan, J.C.C.; Pfitzner, A.; Eckert, H.","(Cu I)3 P4 S4: preparation, structural and NMR spectroscopic characterization of a copper(I) halide adduct with beta- (P4 S4)","Chemistry - A European Journal","2002","8","","4228","4233","","","","","","","","","","","","","","","","","","","","","","has coordinates","164948","2020-10-21","18:00:00",""
"1537087","10.393","","12.762","","24.436","","90","","90","","90","","3241.08","","","","","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","Krossing, I.; Cameron, T.S.; Min Fang; Dionne, I.; Decken, A.; Passmore, J.","Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state","Chemistry - A European Journal","2002","8","","3386","3401","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1537169","3.821","","15.591","","2.973","","90","","90","","90","","177.111","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","K1.33333 Li1.3333 Ti3.3333 O8","","- K1.33333 Li1.3333 O8 Ti3.3333 -","- K1.3332 Li1.3332 O8 Ti3.3332 -","- K1.3332 Li1.3332 O8 Ti3.3332 -","1","0.0625","","Roth, R.S.; Parker, H.S.; Brower, W.S.","Crystal chemistry of lithium in octahedrally coordinated structures III. A new structure-type in the system K2O:Li2O:TiO2 (KxLixTi4-x/2O8)","Materials Research Bulletin","1973","8","","327","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","165192","2020-10-21","18:00:00",""
"1537321","15.266","","3.618","","10.1","","90","","107.7","","90","","531.439","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Li.667 V2 O5","","- Li0.667 O5 V2 -","- Li0.666667 O5 V2 -","- Li4 O30 V12 -","6","0.75","","Galy, J.; Darriet, J.; Hagenmuller, P.","Les bronzes Lix V2 O5. Structure de la phase beta' et affinement de la structure de la phase gamma","Revue de Chimie Minerale","1971","8","","509","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","165404","2020-10-21","18:00:00",""
"1537322","9.702","","3.607","","10.664","","90","","90","","90","","373.188","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Li V2 O5","","- Li O5 V2 -","- Li O5 V2 -","- Li4 O20 V8 -","4","0.5","","Galy, J.; Darriet, J.; Hagenmuller, P.","Les bronzes Lix V2 O5. Structure de la phase beta' et affinement de la structure de la phase gamma","Revue de Chimie Minerale","1971","8","","509","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537421","17.978","","5.189","","4.978","","90","","90","","90","","464.387","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","Li Bi O2","","- Bi Li O2 -","- Bi Li O2 -","- Bi8 Li8 O16 -","8","0.5","","Hoppe, R.; Schwedes, B.","Zur Kristallstruktur von Li Bi O2","Revue de Chimie Minerale","1971","8","","583","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537656","5.467","","5.467","","5.467","","53.74","","53.74","","53.74","","98.63","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","V2 O3","","- O3 V2 -","- O3 V2 -","- O6 V4 -","2","0.166667","","Andersson, G.","Studies on vanadium oxides. I. Phase analysis","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","1599","1606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537659","3.789","","3.789","","3.789","","90","","90","","90","","54.397","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mg Y -","- Mg Y -","- Mg Y -","1","0.0208333","","Caro, P.","La reduction des halogenures d'yttrium par le magnesiummethode d'obtention d'alliages magnesium-yttrium","Journal of the Less-Common Metals","1965","8","","235","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537735","5.359","","5.359","","5.359","","90","","90","","90","","153.904","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pu H2","","- H2 Pu -","- H2 Pu -","- H8 Pu4 -","4","0.0208333","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537737","4.102","","4.102","","13.81","","90","","90","","90","","232.373","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Ge2 Pu -","- Ge2 Pu -","- Ge8 Pu4 -","4","0.125","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva: Proceedings","1956","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537739","5.664","","5.664","","5.664","","90","","90","","90","","181.706","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pu P","","- P Pu -","- P Pu -","- P4 Pu4 -","4","0.0208333","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537741","4.808","","4.808","","4.808","","90","","90","","90","","111.146","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pb3 Pu -","- Pb3 Pu -","- Pb3 Pu -","1","0.0208333","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537742","7.933","","3.847","","5.727","","90","","90","","90","","174.778","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pu Si -","- Pu Si -","- Pu4 Si4 -","4","0.5","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537743","3.967","","3.967","","13.72","","90","","90","","90","","215.913","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Pu Si2 -","- Pu Si2 -","- Pu4 Si8 -","4","0.125","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537745","4.63","","4.63","","4.63","","90","","90","","90","","99.253","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pu Sn3 -","- Pu Sn3 -","- Pu Sn3 -","1","0.0208333","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537748","6.183","","6.183","","6.183","","90","","90","","90","","236.373","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pu Te -","- Pu Te -","- Pu4 Te4 -","4","0.0208333","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537750","4.703","","4.703","","4.703","","90","","90","","90","","104.022","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Pu -","- In3 Pu -","- In3 Pu -","1","0.0208333","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537752","8.29","","8.29","","8.01","","90","","90","","120","","476.73","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni17 Pu2 -","- Ni17 Pu2 -","- Ni34 Pu4 -","2","0.0833333","","Coffinberry, A.S.; Ellinger, F.H.","The intermetallic compounds of plutonium","International Conference on Peaceful Uses of Atomic Energy, Geneva 1958: Proceedings","1955","8","","826","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537763","5.406","","5.406","","5.406","","90","","90","","90","","157.989","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni Si2 -","- Ni Si2 -","- Ni4 Si8 -","4","0.0208333","","Beck, U.; Neumann, H.G.; Becherer, G.","Phasenbildung in Ni/Si-Schichten","Kristall und Technik","1973","8","","1125","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538068","10.33","","10.33","","10.33","","90","","90","","90","","1102.3","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Cu0.5 Fe0.5) (Fe Sn) S4","","- Cu0.5 Fe1.5 S4 Sn -","- Cu0.5 Fe1.5 S4 Sn -","- Cu4 Fe12 S32 Sn8 -","8","0.0416667","","Harada, S.","Some new sulfo-spinels containing iron-group transition metals","Materials Research Bulletin","1973","8","","1361","1370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538070","10.35","","10.35","","10.35","","90","","90","","90","","1108.72","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","(Cu0.5 Fe0.5) (Fe0.75 Sn1.25) S4","","- Cu0.5 Fe1.25 S4 Sn1.25 -","- Cu0.5 Fe1.25 S4 Sn1.25 -","- Cu4 Fe10 S32 Sn10 -","8","0.0416667","","Harada, S.","Some new sulfo-spinels containing iron-group transition metals","Materials Research Bulletin","1973","8","","1361","1370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538092","2.73","","8.323","","3.8","","90","","90","","90","","86.343","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pt2 V -","- Pt2 V -","- Pt4 V2 -","2","0.125","","Giessen, B.C.; Grant, N.J.","The crystal structures of V Ni2, V Pd2 V Pt2, and related AB2 phases","Journal of the Less-Common Metals","1965","8","","114","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538474","12.847","","12.901","","10.476","","90","","90","","90","","1736.28","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na4 (Ge4 S10)","","- Ge4 Na4 S10 -","- Ge4 Na4 S10 -","- Ge16 Na16 S40 -","4","0.25","","Philippot, E.; Ribes, M.; Lindqvist, O.","Structure cristalline de Na4 Ge4 S10","Revue de Chimie Minerale","1971","8","","477","489","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1539036","3.2727","","3.2727","","4.9953","","90","","90","","90","","53.502","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(In9 Pb)0.2","","- In1.76 Pb0.24 -","- In1.76 Pb0.24 -","- In1.76 Pb0.24 -","1","0.03125","","Ridley, N.","Densities of some indium solid solutions","Journal of the Less-Common Metals","1965","8","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","167763","2020-10-21","18:00:00",""
"1539080","3.643","","3.643","","3.643","","85.59","","85.59","","85.59","","47.939","","","","","","","","","","","","","3","R 3 2 :R","P 3* 2","155","","Cr (Mo O3)","","- Cr Mo O3 -","- Cr Mo O3 -","- Cr Mo O3 -","1","0.166667","","Schoenberg, N.","On the existence of ternary transition metal oxides","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","932","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539081","3.64","","3.64","","3.64","","85.43","","85.43","","85.43","","47.792","","","","","","","","","","","","","3","R 3 2 :R","P 3* 2","155","","Cr (W O3)","","- Cr O3 W -","- Cr O3 W -","- Cr O3 W -","1","0.166667","","Schoenberg, N.","On the existence of ternary transition metal oxides","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","932","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539247","4.093","","4.093","","4.093","","90","","90","","90","","68.569","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","V O","","- O V -","- O V -","- O4 V4 -","4","0.0208333","","Schoenberg, N.","X-ray studies on vanadium and chromium oxides with low oxygen content","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","221","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539250","3.18","","3.18","","6.22","","90","","90","","120","","54.472","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","V P","","- P V -","- P V -","- P2 V2 -","2","0.0833333","","Schoenberg, N.","An X-ray investigation of transition metal phosphides","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","226","239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539253","3.126","","3.126","","3.126","","90","","90","","90","","30.547","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mo2.25 O -","- Mo2.25 O -","- Mo9 O4 -","4","0.0208333","","Schoenberg, N.","On the existence of a metallic molybdenum oxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","617","619","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539256","5.185","","5.185","","2.908","","90","","90","","120","","67.705","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Ta N","","- N Ta -","- N Ta -","- N3 Ta3 -","3","0.125","","Schoenberg, N.","An X-ray study of the tantalum-nitrogen system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","199","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539259","4.537","","4.537","","4.537","","90","","90","","90","","93.391","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Zr N","","- N Zr -","- N Zr -","- N4 Zr4 -","4","0.0208333","","Schoenberg, N.","The structure of the metallic quaternary phase Zr Ta N O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","627","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539546","3.8925","","3.8925","","12.3191","","90","","90","","90","","186.654","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sb U2 N2","","- N2 Sb U2 -","- N2 Sb U2 -","- N4 Sb2 U4 -","2","0.0625","","Zolnierek, Z.; Troc, R.","Magnetic properties of tetragonal uranium compounds. I. The U2 N2 Z-ternaries","Journal of Magnetism and Magnetic Materials","1978","8","","210","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539587","10.6122","","10.6122","","10.6122","","90","","90","","90","","1195.13","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y1.8 Dy.2) O3","","- Dy0.2 O3 Y1.8 -","- Dy0.2 O3 Y1.8 -","- Dy3.2 O48 Y28.8 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168539","2020-10-21","18:00:00",""
"1539588","10.6199","","10.6199","","10.6199","","90","","90","","90","","1197.74","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y1.5 Dy.5) O3","","- Dy0.5 O3 Y1.5 -","- Dy0.5 O3 Y1.5 -","- Dy8 O48 Y24 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168540","2020-10-21","18:00:00",""
"1539589","10.63","","10.63","","10.63","","90","","90","","90","","1201.16","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y1.26 Dy.74) O3","","- Dy0.74 O3 Y1.26 -","- Dy0.74 O3 Y1.26 -","- Dy11.84 O48 Y20.16 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168541","2020-10-21","18:00:00",""
"1539590","10.6485","","10.6485","","10.6485","","90","","90","","90","","1207.44","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y.6 Dy1.4) O3","","- Dy1.4 O3 Y0.6 -","- Dy1.4 O3 Y0.6 -","- Dy22.4 O48 Y9.6 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168542","2020-10-21","18:00:00",""
"1539591","10.6603","","10.6603","","10.6603","","90","","90","","90","","1211.46","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","(Y.2 Dy1.8) O3","","- Dy1.8 O3 Y0.2 -","- Dy1.8 O3 Y0.2 -","- Dy28.8 O48 Y3.2 -","16","0.333333","","Antic, B.; Oennerud, P.; Tellgren, R.; Rodic, D.","The structure characteristics of the diluted magnetic semiconductor Y2-xDyxO3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","168543","2020-10-21","18:00:00",""
"1539592","10.63","","10.63","","10.63","","90","","90","","90","","1201.16","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- Dy2 O3 -","- Dy2 O3 -","- Dy32 O48 -","16","0.333333","","Antic, B.; Oennerud, P.; Rodic, D.; Tellgren, R.","The structure characteristics of the diluted magnetic semiconductor Y2-x Dyx O3","Powder Diffraction","1993","8","","216","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539863","13.695","","22.326","","20.178","","90","","90","","90","","6169.52","","","","","","","","","","","","","2","C m m a","-C 2a 2","67","","Si O2","","- O2 Si -","- O2 Si -","- O224 Si112 -","112","7","","Briscoe, N.A.; Johnson, D.W.jr.; Kokotailo, G.T.; Shannon, M.D.; McCusker, L.B.","The framework topology of zeolite EU-1","Zeolites","1988","8","","74","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540107","17.21","","17.21","","17.21","","90","","90","","90","","5097.33","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","(H2 O)136 (N2)9.4","","- H272 N18.8 O136 -","- H272 N18.8 O136 -","- H272 N18.8 O136 -","1","0.00520833","","Hondoh, T.; Anzai, H.; Goto, A.; Mae, S.; Higashi, A.; Landway, Jr, C. C.","The crystallographic structure of the natural air-hydrate in Greenland dye-3 deep ice core","Journal of Inclusion Phenomena and Molecular Recognition in Chemistry","1990","8","1-2","17","24","10.1007/BF01131284","","","","","","","","","","","","","","","","","","","","","has coordinates","174876","2020-10-21","18:00:00",""
"1540221","3.8799","","3.8799","","6.3859","","90","","90","","120","","83.252","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Yb -","- Yb -","- Yb2 -","2","0.0833333","","Kayser, F.X.","Diffraction evidence of the existence of an F.C.C.=H.C.P. transformation in Yb","Physica Status Solidi, Sectio A: Applied Research","1971","8","","233","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540273","5.278","","5.278","","11.503","","90","","90","","90","","320.442","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Na Nd (W O4)2","","- Na Nd O8 W2 -","- Na Nd O8 W2 -","- Na2 Nd2 O16 W4 -","2","0.125","","Li, H.; Hong, G.; Yue, S.","Crystal study of NaLn(WO4)2 (Ln= La, Pr, Nd)","Zhongguo Xitu Xuebao","1990","8","","37","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540703","47.6239","0.0019","16.6379","0.0007","36.1489","0.0013","90","","127.438","0.002","90","","22742.9","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C180 H150 Ag12 Au13 Cl8 P10 -","- C180 H150 Ag12 Au13 Cl8 P10 -","- C720 H600 Ag48 Au52 Cl32 P40 -","4","0.5","","Liu, Lingli; Song, Yongbo; Chong, Hanbao; Yang, Sha; Xiang, Ji; Jin, Shan; Kang, Xi; Zhang, Jun; Yu, Haizhu; Zhu, Manzhou","Size-confined growth of atom-precise nanoclusters in metal-organic frameworks and their catalytic applications.","Nanoscale","2016","8","3","1407","1412","10.1039/c5nr06930k","","","0.71073","MoKα","","0.0896","0.054","","","0.1475","0.1592","","","","","","0.981","","","","has coordinates","176123","2020-10-21","18:00:00",""
"1540711","11.852","0.002","17.309","0.003","18.485","0.004","102.763","0.003","90.722","0.003","94.945","0.003","3682.7","1.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H80 Cl4 N8 O7 -","- C75 H80 Cl4 N8 O7 -","- C150 H160 Cl8 N16 O14 -","2","1","","Meng, Xianfu; Xu, Yanxia; Liu, Jinliang; Sun, Lining; Shi, Liyi","A new fluorescent rhodamine B derivative as an “off–on” chemosensor for Cu2+with high selectivity and sensitivity","Anal. Methods","2016","8","5","1044","","10.1039/C5AY02792F","","","0.71073","MoKα","","0.1383","0.1058","","","0.3019","0.3355","","","","","","1.233","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1540721","18.6608","0.0013","19.993","0.0015","21.8841","0.0015","90","","90","","90","","8164.6","1","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H40 F6 N3 P3 Ru S -","- C43 H40 F6 N3 P3 Ru S -","- C344 H320 F48 N24 P24 Ru8 S8 -","8","1","","de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.","Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.","Metallomics : integrated biometal science","2016","8","2","179","192","10.1039/c5mt00227c","","","0.71073","MoKα","","0.0653","0.0445","","","0.1127","0.1292","","","","","","1.038","","","","has coordinates,has disorder","177882","2020-10-21","18:00:00",""
"1540722","18.3794","0.0011","19.6522","0.0012","21.8753","0.0013","90","","90","","90","","7901.3","0.8","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H39 F6 N4 P3 Ru S -","- C42 H39 F6 N4 P3 Ru S -","- C336 H312 F48 N32 P24 Ru8 S8 -","8","1","","de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.","Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.","Metallomics : integrated biometal science","2016","8","2","179","192","10.1039/c5mt00227c","","","0.71073","MoKα","","0.123","0.0661","","","0.1692","0.2013","","","","","","1.025","","","","has coordinates,has disorder","177882","2020-10-21","18:00:00",""
"1540918","5.161","","5.161","","10.3","","90","","90","","120","","237.594","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","Co2 Ta4 N5","","- Co2 Ta4 -","- Co2 Ta4 -","- Co4 Ta8 -","2","0.166667","","Schoenberg, N.","An X-ray investigation on ternary phases in the Ta-Me-N systems (Me= Ti, Cr, Mn, Fe, Co, Ni)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1954","8","","213","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","172099","2020-10-21","18:00:00",""
"1541106","13.72","","13.715","","13.708","","90","","90","","90","","2579.43","","","","","","","","","","","","","4","I b c a","-I 2b 2c","73","","Na Al (Si2 O6) (H2 O)","","- Al0.9999 Na O6 Si1.9998 -","- Al0.9999 Na O6 Si1.9998 -","- Al15.9984 Na16 O96 Si31.9968 -","16","1","","Pechar, F.","An x-ray diffraction refinement of the crystal structure of natural orthorhombic analcime ((Na Al Si2 O6) (H2 O))","Zeolites","1988","8","","247","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541166","12.681","","12.72","","10.346","","90","","90","","90","","1668.83","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Na4 Si4 S10","","- Na4 S10 Si4 -","- Na4 S10 Si4 -","- Na16 S40 Si16 -","4","0.25","","Ribes, M.; Maurin, M.; Philippot, E.; Olivier-Fourcade, J.","Etude structurale de thiocomposes a groupement anionique de type tetrane Na4 X4 S10 (X= Ge, Si) et Ba2 Ge4 S10","Journal of Solid State Chemistry","1973","8","","195","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541167","14.899","","14.899","","14.899","","90","","90","","90","","3307.28","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba2 Ge4 S10 -","- Ba2 Ge4 S10 -","- Ba16 Ge32 S80 -","8","0.0416667","","Ribes, M.; Olivier-Fourcade, J.; Philippot, E.; Maurin, M.","Etude structurale de thiocomposes a groupement anionique de type tetrane Na4 X4 S10 (X= Ge, Si) et Ba2 Ge4 S10","Journal of Solid State Chemistry","1973","8","","195","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541567","8.3","","8.3","","8.3","","90","","90","","90","","571.787","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Co2 Ge O4 -","- Co2 Ge O4 -","- Co16 Ge8 O32 -","8","0.0416667","","Romeijn, F.C.","Physical and Crystallographical Properties of Some Spinels","Philips Research Reports","1953","8","","304","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541629","9.059","","17.05","","18.269","","90","","120","","90","","2443.71","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Bi6 O4 (O H)4) (N O3)6 (H2 O)4","","- Bi6 H12 N6 O30 -","- Bi6 N6 O30 -","- Bi24 N24 O120 -","4","1","","Lazarini, F.","Tetra-mue3-hydroxo-tetra-mue3-oxo-hexabismuth(III) nitrate tetrahydrate, (Bi6 O4 (O H)4) (N O3)6 * 4 H2 O","Crystal Structure Communications","1979","8","","69","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541827","10.38","","16.98","","5.75","","90","","104.4","","90","","981.612","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Ca Na2 (P2 O7) (H2 O)4","","- Ca H8 Na2 O11 P2 -","- Ca H8 Na2 O11 P2 -","- Ca4 H32 Na8 O44 P8 -","4","1","","Cheng, P.T.; Nyburg, S.C.; Adams, M.E.; Pritzker, K.P.H.","beta-Calcium disodium pyrophosphate tetrahydrate, Ca Na2 P2 O7 * 4 H2 O","Crystal Structure Communications","1979","8","","313","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541907","5.385","0.008","9.274","0.013","25.69","0.04","92.65","0.02","95.509","0.019","93.348","0.02","1273","3","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C55 H82 N2 O8 S -","- C55 H82 N2 O8 S -","- C55 H82 N2 O8 S -","1","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.2437","0.1082","","","0.2511","0.3229","","","","","","1.001","","","","has coordinates,has disorder","177883","2020-10-21","18:00:00",""
"1541908","5.4174","0.0005","9.3296","0.0009","24.033","0.002","95.858","0.002","92.994","0.002","93.33","0.002","1204.23","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H74 N2 O8 S -","- C51 H74 N2 O8 S -","- C51 H74 N2 O8 S -","1","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.0918","0.0676","","","0.1557","0.17","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541909","8.671","0.007","11.183","0.009","27.36","0.02","94.389","0.014","97.977","0.016","109.553","0.014","2454","3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C50.5 H79.5 N2.5 O9.5 -","- C50.5 H79.5 N2.5 O9.5 -","- C101 H159 N5 O19 -","2","2","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.2949","0.0725","","","0.1467","0.2409","","","","","","0.643","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541910","8.615","0.003","11.124","0.004","25.315","0.009","101.343","0.007","91.424","0.007","109.601","0.006","2229.9","1.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C46.5 H71.5 N2.5 O9.5 -","- C46.5 H71.5 N2.5 O9.5 -","- C93 H143 N5 O19 -","2","2","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs.","Nanoscale","2016","8","6","3607","3619","10.1039/c5nr07490h","","","0.71073","MoKα","","0.1361","0.0652","","","0.1124","0.1372","","","","","","0.958","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541963","5.504","","5.504","","5.504","","90","","90","","90","","166.738","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs Sn Cl3","","- Cl3 Cs Sn -","- Cl3 Cs Sn -","- Cl3 Cs Sn -","1","0.0208333","","Bulanova, G.G.; Podlesskaya, A.B.; Soboleva, L.V.; Soklakov, A.I.","Study of Cesium tin chloride Cs Sn Cl3 and Cs2 Sn Cl6","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1972","8","","1930","1932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541971","8.282","","9.237","","8.058","","107.81","","98.63","","71.52","","555.674","","","","","","","","","","","","","4","P -1","-P 1","2","","La Cl3 (H2 O)7","","- Cl3 H14 La O7 -","- Cl3 La O7 -","- Cl6 La2 O14 -","2","1","","Habenschuss, A.; Spedding, F.H.","Di-mue-chloro-bis(heptaaqualanthanum(III)) tetrachloride ((H2 O)7 La Cl2 La (H2 O)7) Cl4","Crystal Structure Communications","1979","8","","511","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542044","9.169","","7.958","","8.548","","90","","90","","90","","623.721","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li B (O H)4","","- B H4 Li O4 -","- B H4 Li O4 -","- B8 H32 Li8 O32 -","8","1","","Kutschabsky, L.; Reck, G.","Anwendung der Methode der linearen Strukturfaktorgleichungssysteme zur Bestimmung des Strukturprinzips zentrosymmetrischer Strukturen aus Harkerschnitten","Monatsberichte der Deutschen Akademie der Wissenschaften zu Berlin","1966","8","","648","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1542088","11.71","","6.69","","8.2","","90","","102.67","","90","","626.745","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Ca Mg (B3 O4 (O H)3)2 (H2 O)3","","- B6 Ca H12 Mg O17 -","- B6 Ca Mg O17 -","- B12 Ca2 Mg2 O34 -","2","0.5","","Rumanova, I.M.; Ashirov, A.","Determination of the crystal structure of hydroboracite Ca Mg (B3 O4 (O H)3)2 (H2 O)3","Kristallografiya","1963","8","","828","845","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542238","6.154","","5.739","","8.299","","90","","102.89","","90","","285.716","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Sm Zr F7","","- F7 Sm Zr -","- F7 Sm Zr -","- F14 Sm2 Zr2 -","2","1","","Poulain, M.; Lucas, J.","Structure cristalline de Sm Zr F7. Relations structurales avec le type Re O3","Journal of Solid State Chemistry","1973","8","","132","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542270","8.0689","0.0016","13.762","0.003","14.911","0.005","90","","115.54","0.02","90","","1494","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Amiri, Nayereh; Rofouei, Mohammad K.; Ghasemi, Jahan B.","Multivariate optimization, preconcentration and determination of mercury ions with (1-(p-acetyl phenyl)-3-(o-methyl benzoate)) triazene in aqueous samples using ICP-AES","Anal. Methods","2016","8","5","1111","","10.1039/C5AY03169A","","","0.71073","MoKα","","0.1986","0.0553","","","0.0773","0.1025","","","","","","0.823","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542315","11.84","0.005","10.52","0.005","23.1","0.005","90","0.005","96.951","0.005","90","0.005","2856.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O6 -","- C32 H30 N4 O6 -","- C128 H120 N16 O24 -","4","1","","Ghorai, Anupam; Mondal, Jahangir; Saha, Rajat; Bhattacharya, Sumantra; Patra, Goutam K.","A highly sensitive reversible fluorescent-colorimetric azino bis-Schiff base sensor for rapid detection of Pb2+in aqueous media","Anal. Methods","2016","8","9","2032","","10.1039/C5AY03374H","","","0.71073","MoKα","","0.1756","0.0963","","","0.2211","0.286","","","","","","1.088","","","","has coordinates","177623","2020-10-21","18:00:00",""
"1542919","7.104645","0.000063","7.104645","0.000063","6.986941","0.000072","90","","90","","120","","305.424","0.005","300","","300","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B3 Ba2.76 Eu0.24 O15 P3 -","- B3 Ba2.76 Eu0.24 O15 P3 -","- B3 Ba2.76 Eu0.24 O15 P3 -","1","0.166667","","Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev","Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+","Science of Advanced Materials","2016","8","5","1086","1092","10.1166/sam.2016.2704","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.62","1.593","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1543077","11.1685","0.0011","12.4485","0.0012","18.1823","0.0018","77.032","0.004","82.429","0.004","89.334","0.004","2441.5","0.4","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H112 Cl4 Ni6 S12 -","- C98 H112 Cl4 Ni6 S12 -","- C98 H112 Cl4 Ni6 S12 -","1","0.5","","Joya, Khurram S.; Sinatra, Lutfan; AbdulHalim, Lina G.; Joshi, Chakra P.; Hedhili, M. N.; Bakr, Osman M.; Hussain, Irshad","Atomically monodisperse nickel nanoclusters as highly active electrocatalysts for water oxidation.","Nanoscale","2016","8","18","9695","9703","10.1039/c6nr00709k","","","1.54178","CuKα","","0.0564","0.052","","","0.145","0.1519","","","","","","1.063","","","","has coordinates,has disorder","183717","2020-10-21","18:00:00",""
"1543078","12.957","0.0009","15.3918","0.001","16.9527","0.0011","86.571","0.002","70.541","0.002","73.4","0.002","3052.6","0.4","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C64 H72 Ni4 S8 -","- C64 H72 Ni4 S8 -","- C128 H144 Ni8 S16 -","2","1","","Joya, Khurram S.; Sinatra, Lutfan; AbdulHalim, Lina G.; Joshi, Chakra P.; Hedhili, M. N.; Bakr, Osman M.; Hussain, Irshad","Atomically monodisperse nickel nanoclusters as highly active electrocatalysts for water oxidation.","Nanoscale","2016","8","18","9695","9703","10.1039/c6nr00709k","","","1.54178","CuKα","","0.026","0.0244","","","0.0626","0.0639","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543197","7.5752","0.0018","25.656","0.005","11.692","0.002","90","","100.74","0.013","90","","2232.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N3 O3 -","- C21 H12 N3 O3 -","- C84 H48 N12 O12 -","4","1","","Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu","First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties.","Nanoscale","2016","8","21","11224","11233","10.1039/c6nr01128d","","","0.71073","MoKα","","0.2061","0.1417","","","0.4057","0.4303","","","","","","1.359","","","","has coordinates","183718","2020-10-21","18:00:00",""
"1543198","8.1387","0.0007","10.1108","0.0009","16.5691","0.0015","96.538","0.005","97.798","0.005","107.518","0.005","1270.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 N6 O6 -","- C26 H14 N6 O6 -","- C52 H28 N12 O12 -","2","1","","Bhattacharjee, Subham; Maiti, Bappa; Bhattacharya, Santanu","First report of charge-transfer induced heat-set hydrogel. Structural insights and remarkable properties.","Nanoscale","2016","8","21","11224","11233","10.1039/c6nr01128d","","","0.71073","MoKα","","0.0684","0.0547","","","0.1595","0.1675","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543199","13.7021","0.0005","19.5675","0.0009","31.9547","0.0013","103.934","0.003","95.761","0.002","105.409","0.002","7891.9","0.6","223","2","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C218 H328 N12 Nd8 Ni6 O94 -","- C218 H328 N12 Nd8 Ni6 O94 -","- C218 H328 N12 Nd8 Ni6 O94 -","1","0.5","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.1188","0.0762","","","0.1682","0.1914","","","","","","1.113","","","","has coordinates","183719","2020-10-21","18:00:00",""
"1543200","54.07","0.011","60.708","0.012","90.132","0.018","90","","90","","90","","295857","10","223","1","223","1","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C376 H490 Cd24 Cl4 N24 O136 Yb8 -","- C376 H490 Cd24 Cl4 N24 O136 Yb8 -","- C6016 H7840 Cd384 Cl64 N384 O2176 Yb128 -","16","0.5","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.2013","0.0955","","","0.2258","0.242","","","","","","1.065","","","","has coordinates","183719","2020-10-21","18:00:00",""
"1543201","54.405","0.011","61.195","0.012","91.022","0.018","90","","90","","90","","303041","10","223","2","223","1","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C376 H490 Cd24 Cl4 N24 Nd8 O136 -","- C376 H490 Cd24 Cl4 N24 Nd8 O136 -","- C6016 H7840 Cd384 Cl64 N384 Nd128 O2176 -","16","0.5","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.1798","0.1034","","","0.2692","0.3134","","","","","","0.935","","","","has coordinates","183719","2020-10-21","18:00:00",""
"1543202","13.643","0.003","19.294","0.004","31.918","0.006","103.53","0.03","95.86","0.03","106.04","0.03","7725","3","223","2","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C224 H342 N12 Ni6 O98 Yb8 -","- C224 H342 N12 Ni6 O98 Yb8 -","- C224 H342 N12 Ni6 O98 Yb8 -","1","0.5","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.1439","0.0876","","","0.2092","0.2499","","","","","","1.036","","","","has coordinates","183719","2020-10-21","18:00:00",""
"1543203","56.782","0.011","62.983","0.013","44.704","0.009","90","","90","","90","","159875","6","223","1","223","1","","","","","","","","6","C 2 2 2","C 2 2","21","","","","- C384 H504 Cd24 N24 O144 Sm8 -","- C384 H504 Cd24 N24 O144 Sm8 -","- C3072 H4032 Cd192 N192 O1152 Sm64 -","8","1","","Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.","Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications.","Nanoscale","2016","8","21","11123","11129","10.1039/c6nr00642f","","","0.710747","MoKα","","0.2276","0.1089","","","0.2519","0.3063","","","","","","0.863","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1543626","8.082","0.004","11.9","0.006","18.387","0.009","96.689","0.007","97.921","0.008","102.152","0.008","1692.8","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N O3 S -","- C8 H7 N O3 S -","- C64 H56 N8 O24 S8 -","8","4","","Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing","Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores.","Nanoscale","2016","8","30","14374","14378","10.1039/c6nr00451b","","","0.71073","MoKα","","0.0813","0.0444","","","0.0962","0.1128","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543627","11.021","0.005","9.374","0.004","18.596","0.008","90","","90","","90","","1921.2","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H7 N O5 S -","- C9 H7 N O5 S -","- C72 H56 N8 O40 S8 -","8","1","","Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing","Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores.","Nanoscale","2016","8","30","14374","14378","10.1039/c6nr00451b","","","0.71073","MoKα","","0.0309","0.0285","","","0.0728","0.0748","","","","","","1.064","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543756","36.653","0.007","21.504","0.004","17.115","0.003","90","","98.833","0.007","90","","13330","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2Ni","","- C77 H77 Cl2.99 N6 Ni -","- C77.002 H77 Cl2.994 N6.002 Ni -","- C616.016 H616 Cl23.952 N48.016 Ni8 -","8","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.0969","0.0768","","","0.226","0.2444","","","","","","1.047","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543757","21.181","0.007","10.751","0.004","29.482","0.01","90","","100.128","0.009","90","","6609","4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3Ni","","- C84.5 H83 N5 Ni O -","- C84.5 H83 N5 Ni O -","- C338 H332 N20 Ni4 O4 -","4","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.0838","0.0714","","","0.1913","0.2075","","","","","","1.029","","","","has coordinates","196314","2020-10-21","18:00:00",""
"1543758","12.375","0.007","16.832","0.01","18.491","0.01","110.391","0.008","98.378","0.015","106.725","0.001","3325","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","6","","- C75 H77 Cl1.2 N5 Ni O1.3 -","- C75.001 H77.409 Cl1.227 N5 Ni O1.296 -","- C150.002 H154.818 Cl2.454 N10 Ni2 O2.592 -","2","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1029","0.0837","","","0.2257","0.2483","","","","","","1.092","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543759","18.141","0.003","20.0791","0.0019","20.299","0.002","62.0374","0.001","79.03","0.016","87.782","0.014","6400.6","1.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","8","","- C74.75 H73.75 Cl4.25 N5 Ni O -","- C74.75 H73.75 Cl4.25 N5 Ni O -","- C299 H295 Cl17 N20 Ni4 O4 -","4","2","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1256","0.0791","","","0.2204","0.2451","","","","","","1.045","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543760","57.941","0.006","57.941","0.006","10.6631","0.0012","90","","90","","90","","35798","7","93","2","93","2","","","","","","","","7","I 41/a","-I 4ad","88","","[8]+","","- C87 H101 Cl10 N5 Ni O Sb -","- C87 H101 Cl10 N5 Ni O Sb -","- C1392 H1616 Cl160 N80 Ni16 O16 Sb16 -","16","","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1022","0.0992","","","0.2675","0.2692","","","","","","1.079","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543761","72.72","0.009","13.4081","0.0016","33.152","0.004","90","","102.869","0.004","90","","31512","7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","9","","- C165 H150 Cl19 N10 Ni2 O5 -","- C165 H150 Cl19 N10 Ni2 O5 -","- C1320 H1200 Cl152 N80 Ni16 O40 -","8","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1197","0.0996","","","0.264","0.28","","","","","","1.064","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543762","27.888","0.011","9.758","0.003","29.846","0.011","90","","113.508","0.006","90","","7448","5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[9]+","","- C74.5 H76 Cl9 N5 Ni Sb -","- C74.5 H76 Cl9 N5 Ni Sb -","- C298 H304 Cl36 N20 Ni4 Sb4 -","4","1","","Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.","Chemical science","2017","8","1","189","199","10.1039/c6sc02721k","","","1.54187","CuKα","","0.1312","0.0826","","","0.213","0.2363","","","","","","1.004","","","","has coordinates,has disorder","196314","2020-10-21","18:00:00",""
"1543770","14.343","0.005","14.782","0.005","18.878","0.005","102.538","0.005","103.764","0.005","97.046","0.005","3730","2","327","2","327","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H79.5 F12 N8.5 O5 P2 Zn -","- C74 H73.5 F12 N8.5 O5 P2 Zn -","- C148 H147 F24 N17 O10 P4 Zn2 -","2","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.0941","0.0797","","","0.2223","0.2472","","","","","","1.034","","","","has coordinates,has disorder","196313","2020-10-21","18:00:00",""
"1543771","13.732","0.005","15.892","0.005","19.26","0.005","103.178","0.005","90.598","0.005","91.07","0.005","4091","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H75.5 F12 N10.5 O4 P2 Zn -","- C85 H75.5 F12 N10.5 O4 P2 Zn -","- C170 H151 F24 N21 O8 P4 Zn2 -","2","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1523","0.0847","","","0.2259","0.2587","","","","","","1.005","","","","has coordinates","196313","2020-10-21","18:00:00",""
"1543772","5.559","0.005","11.24","0.005","13.638","0.005","75.767","0.005","83.93","0.005","81.445","0.005","814.7","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","1","1","","Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng","Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.","Chemical science","2017","8","1","142","149","10.1039/c6sc02342h","","","0.71069","MoKα","","0.1104","0.0661","","","0.157","0.1861","","","","","","1.042","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543854","14.17","0.0007","14.2848","0.0007","25.4039","0.0012","90","","95.518","0.002","90","","5118.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Gd2 K N4 Si8 -","- C31 H79 Gd2 K N4 Si8 -","- C124 H316 Gd8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0544","0.033","","","0.0626","0.0725","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543855","14.1259","0.0004","14.2954","0.0004","25.2343","0.0006","90","","95.2741","0.0013","90","","5074.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Dy2 K N4 Si8 -","- C31 H79 Dy2 K N4 Si8 -","- C124 H316 Dy8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0424","0.0299","","","0.0642","0.0693","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543856","14.0946","0.0007","14.2965","0.0008","25.1055","0.0013","90","","95.17","0.003","90","","5038.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H79 Er2 K N4 Si8 -","- C31 H79 Er2 K N4 Si8 -","- C124 H316 Er8 K4 N16 Si32 -","4","1","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0648","0.0443","","","0.112","0.1336","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543857","20.1042","0.0007","18.7574","0.0006","16.5696","0.0006","90","","107.851","0.0017","90","","5947.6","0.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H95 Er2 K N4 O2 Si8 -","- C39 H95 Er2 K N4 O2 Si8 -","- C156 H380 Er8 K4 N16 O8 Si32 -","4","0.5","","Harriman, Katie L. M.; Le Roy, Jennifer J.; Ungur, Liviu; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Cycloheptatrienyl trianion: an elusive bridge in the search of exchange coupled dinuclear organolanthanide single-molecule magnets.","Chemical science","2017","8","1","231","240","10.1039/c6sc01224h","","","0.71073","MoKα","","0.0438","0.0384","","","0.1251","0.1325","","","","","","1.071","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543881","58.539","0.004","34.472","0.002","41.488","0.003","90","","91.2322","0.0009","90","","83702","10","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C240 H312 Ag4 Au32 S24 -","- C240 H310 Ag4 Au32 S24 -","- C2880 H3720 Ag48 Au384 S288 -","12","1.5","","Fan, Jiqiang; Song, Yongbo; Chai, Jinsong; Yang, Sha; Chen, Tao; Rao, Bo; Yu, Haizhu; Zhu, Manzhou","The solely motif-doped Au36-xAgx(SPh-tBu)24 (x = 1-8) nanoclusters: X-ray crystal structure and optical properties.","Nanoscale","2016","8","33","15317","15322","10.1039/c6nr04255d","","","0.71073","MoKα","","0.1859","0.0828","","","0.2137","0.2441","","","","","","1.093","","","","has coordinates,has disorder","187157","2020-10-21","18:00:00",""
"1543891","7.6555","0.0003","13.0617","0.0005","16.9622","0.0005","90","","96.793","0.003","90","","1684.21","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N O2 Rh -","- C18 H22 N O2 Rh -","- C72 H88 N4 O8 Rh4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54178","CuKα","","0.0451","0.0425","","","0.1095","0.1137","","","","","","1.028","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543892","7.3899","0.0001","13.5531","0.0002","32.123","0.002","90","","90","","90","","3217.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N2 O S2 -","- C20 H12 N2 O S2 -","- C160 H96 N16 O8 S16 -","8","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54187","CuKα","","0.1153","0.0684","","","0.1715","0.2246","","","","","","1.095","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543893","4.7941","0.0007","15.333","0.002","17.698","0.003","90","","90","","90","","1300.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chenying","cy-P3-NHAc-thiazole","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","0.71073","MoKα","","0.0895","0.0567","","","0.1193","0.1374","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543894","4.6897","0.0007","12.449","0.003","15.119","0.004","109.35","0.02","96.794","0.016","99.101","0.016","808.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","cy-hybrid-P2","","- C21 H14 N2 O2 S -","- C21 H14 N2 O2 S -","- C42 H28 N4 O4 S2 -","2","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54178","CuKα","","0.1509","0.1127","","","0.2996","0.3289","","","","","","1.188","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543908","40.091","0.005","7.8348","0.0009","16.111","0.002","90","","113.26","0.008","90","","4649.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C208 H256 N16 O16 -","8","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0668","0.044","","","0.1183","0.1357","","","","","","1.018","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543909","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543910","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543911","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543912","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543913","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543914","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543915","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543941","10.9852","0.0007","20.5331","0.0014","19.4487","0.0013","90","","91.193","0.006","90","","4385.9","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H14 O2 -","- C82 H14 O2 -","- C328 H56 O8 -","4","1","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1649","0.1491","","","0.3966","0.4125","","","","","","1.079","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543942","26.123","0.004","26.123","0.004","14.146","0.002","90","","90","","90","","9653","2","93","2","93","2","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C88 H24 O4 -","- C88 H24 O4 -","- C704 H192 O32 -","8","0.5","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","1.54187","CuKα","","0.1284","0.1177","","","0.4081","0.4472","","","","","","1.077","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543943","10.147","0.0016","23.719","0.004","21.227","0.004","90","","102.193","0.002","90","","4993.6","1.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C91 H31 O4 -","- C91 H31 O4 -","- C364 H124 O16 -","4","1","","Umeyama, Tomokazu; Miyata, Tetsushi; Jakowetz, Andreas C.; Shibata, Sho; Kurotobi, Kei; Higashino, Tomohiro; Koganezawa, Tomoyuki; Tsujimoto, Masahiko; Gélinas, Simon; Matsuda, Wakana; Seki, Shu; Friend, Richard H.; Imahori, Hiroshi","Regioisomer effects of [70]fullerene mono-adduct acceptors in bulk heterojunction polymer solar cells.","Chemical science","2017","8","1","181","188","10.1039/c6sc02950g","","","0.7107","MoKα","","0.072","0.0616","","","0.153","0.1624","","","","","","1.056","","","","has coordinates,has disorder","196323","2020-10-21","18:00:00",""
"1543947","10.5808","0.0004","13.0767","0.0005","14.3976","0.0006","93.447","0.003","106.228","0.004","97.527","0.003","1886.41","0.14","150","2","150","2","","","","","","","","8","P -1","-P 1","2","1","Ir1","","- C37 H28 Cl2 F10 Ir N4 O P -","- C37 H28 Cl2 F10 Ir N4 O P -","- C74 H56 Cl4 F20 Ir2 N8 O2 P2 -","2","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","1.54178","CuKα","","0.0377","0.0318","","","0.0731","0.0774","","","","","","1.064","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1543948","9.3965","0.0001","39.4086","0.0006","9.8195","0.0002","90","","104.761","0.002","90","","3516.18","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl2 F10 Ir N4 O2 P -","- C35 H26 Cl2 F10 Ir N4 O2 P -","- C140 H104 Cl8 F40 Ir4 N16 O8 P4 -","4","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","0.71073","MoKα","","0.0325","0.0264","","","0.0459","0.0476","","","","","","1.136","","","","has coordinates","191533","2020-10-21","18:00:00",""
"1543949","39.1832","0.0011","9.6185","0.0002","19.2745","0.0005","90","","109.894","0.002","90","","6830.7","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27.5 F3 Ir N4 O2 P0.5 -","- C34 H27.5 F3 Ir N4 O2 P0.5 -","- C272 H220 F24 Ir8 N32 O16 P4 -","8","1","","Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan","Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes","Chem. Sci.","2017","8","1","631","","10.1039/C6SC02901A","","","1.54178","CuKα","","0.044","0.0369","","","0.0953","0.1039","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544001","15.505","0.0005","34.4906","0.001","17.2521","0.0005","90","","112.99","0.0017","90","","8493.2","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H70 O -","- C88 H70 O -","- C352 H280 O4 -","4","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1182","0.0843","","","0.2088","0.2232","","","","","","1.09","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544002","7.5395","0.0005","34.5192","0.0018","11.7823","0.0006","90","","100.084","0.003","90","","3019.1","0.3","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H28 O5 -","- C47 H28 O5 -","- C188 H112 O20 -","4","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1218","0.0613","","","0.1171","0.1404","","","","","","1.017","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544003","11.664","0.002","12.471","0.002","13.809","0.003","116.004","0.015","114.439","0.013","91.219","0.014","1592.4","0.6","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H22 Cl2 O5 -","- C45 H24 O5 -","- C90 H48 O10 -","2","1","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1575","0.0718","","","0.154","0.1814","","","","","","0.925","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544004","13.1702","0.0008","17.3964","0.0012","17.5084","0.0011","63.486","0.005","70.365","0.004","81.999","0.004","3380.5","0.4","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H33 O5 -","- C47 H26 O5 -","- C188 H104 O20 -","4","2","","Márquez, Irene R; Fuentes, Noelia; Cruz, Carlos M.; Puente-Muñoz, Virginia; Sotorrios, Lia; Marcos, M. Luisa; Choquesillo-Lazarte, Duane; Biel, Blanca; Crovetto, Luis; Gómez-Bengoa, Enrique; González, M Teresa; Martin, Ruben; Cuerva, Juan M.; Campaña, Araceli G","Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes.","Chemical science","2017","8","2","1068","1074","10.1039/c6sc02895k","","","1.54178","CuKα","","0.1842","0.0779","","","0.1537","0.1873","","","","","","0.849","","","","has coordinates","196346","2020-10-21","18:00:00",""
"1544005","6.5174","0.0004","9.8469","0.0005","10.3476","0.0005","113.309","0.005","95.997","0.005","104.217","0.005","575.83","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C2.545 H1.636 N0.364 O0.182 -","- C2.54545 H1.63636 N0.363636 O0.181818 -","- C28 H18 N4 O2 -","11","5.5","","Zhang, Jing Nan; Kang, Hui; Li, Nan; Zhou, Shi Ming; Sun, Hua Ming; Yin, Shi Wei; Zhao, Na; Tang, Ben Zhong","Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission.","Chemical science","2017","8","1","577","582","10.1039/c6sc02875f","","","1.54184","CuKα","","0.0455","0.0418","","","0.1135","0.1177","","","","","","1.0717","","","","has coordinates","196312","2020-10-21","18:00:00",""
"1544006","16.7564","0.0006","15.4421","0.0006","21.3159","0.0008","90","","96.792","0.0015","90","","5476.9","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{Na(12-C-4)2}{(PNP)NiCOO}","","","- C51 H88 N Na Ni O14 P2 -","- C51 H88 N Na Ni O14 P2 -","- C204 H352 N4 Na4 Ni4 O56 P8 -","4","1","","Yoo, Changho; Lee, Yunho","Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe","Chem. Sci.","2017","8","1","600","","10.1039/C6SC03450K","","","0.71073","MoKα","","0.1158","0.0585","","","0.1334","0.1566","","","","","","1.025","","","","has coordinates,has disorder","191539","2020-10-21","18:00:00",""
"1544007","10.1896","0.0005","26.231","0.0013","20.6309","0.001","90","","100.088","0.0017","90","","5429.1","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(PNP)NiCOOFe(PNP)","","","- C53 H80 Fe N2 Ni O2 P4 -","- C53 H80 Fe N2 Ni O2 P4 -","- C212 H320 Fe4 N8 Ni4 O8 P16 -","4","1","","Yoo, Changho; Lee, Yunho","Carbon dioxide binding at a Ni/Fe center: synthesis and characterization of Ni(η1-CO2-κC) and Ni-μ-CO2-κC:κ2O,O′-Fe","Chem. Sci.","2017","8","1","600","","10.1039/C6SC03450K","","","0.71073","MoKα","","0.1049","0.0527","","","0.1016","0.1093","","","","","","1.307","","","","has coordinates","191539","2020-10-21","18:00:00",""
"1544031","38.3207","0.0002","38.3207","0.0002","38.3207","0.00002","90","","90","","90","","56273","0.4","173","2","173","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Cl3 Hf12 Ir3 N12 O64 -","- C144 H72 Cl3 Hf12 Ir3 N12 O64 -","- C576 H288 Cl12 Hf48 Ir12 N48 O256 -","4","0.0416667","","Wang, Yingxia; Cui, Hao; Wei, Zhang-Wen; Wang, Hai-Ping; Zhang, Li; Su, Cheng-Yong","Engineering catalytic coordination space in a chemically stable Ir-porphyrin MOF with a confinement effect inverting conventional Si-H insertion chemoselectivity.","Chemical science","2017","8","1","775","780","10.1039/c6sc03288e","","","1.54184","CuKα","","0.1011","0.0991","","","0.2464","0.2476","","","","","","1.017","","","","has coordinates","196316","2020-10-21","18:00:00",""
"1544032","5.5352","0.0001","13.7138","0.0002","17.7912","0.0003","68.191","0.001","82.836","0.001","80.889","0.001","1234.83","0.04","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","4H4TIDIDF","","- C27 H32 F N S2 -","- C27 H32 F N S2 -","- C54 H64 F2 N2 S4 -","2","1","","Cho, Illhun; Jeon, Nam Joong; Kwon, Oh Kyu; Kim, Dong Won; Jung, Eui Hyuk; Noh, Jun Hong; Seo, Jangwon; Seok, Sang Il; Park, Soo Young","Indolo[3,2-b]indole-based crystalline hole-transporting material for highly efficient perovskite solar cells.","Chemical science","2017","8","1","734","741","10.1039/c6sc02832b","","","0.71073","MoKα","","0.1261","0.0756","","","0.244","0.2884","","","","","","1.084","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544138","6.003","0.006","14.84","0.03","28.93","0.03","90","","90","","90","","2577","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Marek99 (Zack)","Benzyl (S)-4-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)-4-methyl-2-methyleneoctanoate","","- C28 H33 N O5 -","- C28 H33 N O5 -","- C112 H132 N4 O20 -","4","1","","Nairoukh, Zackaria; Kumar, Gunda G K S Narayana; Minko, Yury; Marek, Ilan","Enantioselective allylic alkylation of stereodefined polysubstituted copper enolates as an entry to acyclic quaternary carbon stereocentres.","Chemical science","2017","8","1","627","630","10.1039/c6sc03036j","","","0.71073","MoKα","","0.0611","0.046","","","0.1174","0.1403","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544149","10.1634","0.0002","14.7985","0.0003","17.1628","0.0004","96.74","0.001","97.62","0.001","105.399","0.001","2435.05","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H43 B2 Cl2 F20 P -","- C47 H43 B2 Cl2 F20 P -","- C94 H86 B4 Cl4 F40 P2 -","2","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.09","0.0653","","","0.1233","0.1407","","","","","","1.081","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544150","13.061","0.002","22.03","0.004","18.545","0.004","90","","91.787","0.007","90","","5333.4","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 B2 Cl2 F20 O2 P -","- C48 H41 B2 Cl2 F20 O2 P -","- C192 H164 B8 Cl8 F80 O8 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","1.54178","CuKα","","0.0796","0.0604","","","0.1473","0.1585","","","","","","1.065","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544151","16.4031","0.0016","6.7783","0.0006","25.0981","0.0019","90","","98.45","0.005","90","","2760.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H8 B2 F20 -","- C29 H8 B2 F20 -","- C116 H32 B8 F80 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","1.54178","CuKα","","0.1257","0.0595","","","0.1248","0.1564","","","","","","0.977","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544152","10.7742","0.0005","9.7124","0.0004","26.4759","0.0011","90","","97.347","0.001","90","","2747.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H8 B2 F20 -","- C29 H8 B2 F20 -","- C116 H32 B8 F80 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0493","0.0359","","","0.0817","0.0885","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544153","13.0097","0.0005","21.1601","0.0009","17.7134","0.0007","90","","110.035","0.001","90","","4581.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 B2 Cl2 F20 P -","- C42 H39 B2 Cl2 F20 P -","- C168 H156 B8 Cl8 F80 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0745","0.0641","","","0.1575","0.1641","","","","","","1.059","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544154","12.8848","0.0007","21.515","0.001","17.7497","0.0008","90","","109.796","0.001","90","","4629.7","0.4","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 B2 F20 P -","- C41 H37 B2 F20 P -","- C164 H148 B8 F80 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0876","0.0589","","","0.1431","0.155","","","","","","1.047","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544155","12.8388","0.0005","20.0253","0.0006","18.7529","0.0006","90","","97.393","0.001","90","","4781.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 B2 Cl4 F20 O2 P -","- C44 H39 B2 Cl4 F20 O2 P -","- C176 H156 B8 Cl16 F80 O8 P4 -","4","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.0572","0.0422","","","0.0985","0.1067","","","","","","1.053","","","","has coordinates,has disorder","196357","2020-10-21","18:00:00",""
"1544156","10.0179","0.0003","11.2774","0.0005","19.6359","0.0011","89.016","0.003","87.552","0.003","73.104","0.002","2120.66","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 B2 F20 O2 P -","- C42 H35 B2 F20 O2 P -","- C84 H70 B4 F40 O4 P2 -","2","1","","Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.","Chemical science","2017","8","2","1097","1104","10.1039/c6sc03468c","","","0.71073","MoKα","","0.2388","0.1348","","","0.2279","0.2746","","","","","","1.086","","","","has coordinates","196357","2020-10-21","18:00:00",""
"1544158","12.469","0.003","17.723","0.004","15.596","0.004","90","","112.991","0.004","90","","3172.8","1.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F4 I N4 O -","- C34 H33 F4 I N4 O -","- C136 H132 F16 I4 N16 O4 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0589","0.0507","","","0.1227","0.1254","","","","","","0.954","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544159","8.4431","0.0006","11.7892","0.0012","31.416","0.003","90","","90","","90","","3127.1","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 F4 I N3 O2 -","- C32 H34 F4 I N3 O2 -","- C128 H136 F16 I4 N12 O8 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0265","0.0245","","","0.0624","0.0634","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544160","20.258","0.003","13.9884","0.0013","26.734","0.004","90","","103.187","0.01","90","","7376","1.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H42 F4 I N5 O -","- C37 H42 F4 I N5 O -","- C296 H336 F32 I8 N40 O8 -","8","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0695","0.0387","","","0.0761","0.0882","","","","","","1.028","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544161","25.213","0.007","13.978","0.003","27.637","0.007","90","","112.879","0.004","90","","8974","4","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 F4 I N3 O -","- C29 H28 F4 I N3 O -","- C348 H336 F48 I12 N36 O12 -","12","3","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.1938","0.1077","","","0.2707","0.3145","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544162","29.2891","0.0019","29.2891","0.0019","18.1917","0.0013","90","","90","","90","","15605.8","1.8","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C29 H34 N2 O6 S -","- C29 H34 N2 O6 S -","- C464 H544 N32 O96 S16 -","16","","","Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B.","Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry.","Chemical science","2017","8","1","697","700","10.1039/c6sc03578g","","","1.54178","CuKα","","0.1707","0.069","","","0.1637","0.219","","","","","","1.014","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544182","28.1117","0.0011","20.1279","0.0006","22.8674","0.001","90","","105.985","0.003","90","","12438.7","0.8","180.15","","180.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H192 Dy4 N12 O24 -","- C105 H192 Dy4 N12 O24 -","- C420 H768 Dy16 N48 O96 -","4","0.5","","Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario","Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet.","Chemical science","2017","8","2","1178","1185","10.1039/c6sc03184f","","x-ray","0.71073","MoKα","","0.0922","0.0723","","","0.187","0.2095","","","","","","1.002","","","","has coordinates,has disorder","196351","2020-10-21","18:00:00",""
"1544183","30.5846","0.0016","15.6055","0.0008","25.1965","0.0013","90","","129.98","0.002","90","","9215.1","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H136 N6 P4 Ti2 -","- C100 H136 N6 P4 Ti2 -","- C400 H544 N24 P16 Ti8 -","4","0.5","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.1055","0.0646","","","0.1376","0.1563","","","","","","1.055","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544184","18.5929","0.0008","12.9042","0.0005","22.7421","0.0014","90","","98.499","0.002","90","","5396.5","0.5","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C110 H176 N6 P6 Ti2 -","- C110 H176 N6 P6 Ti2 -","- C220 H352 N12 P12 Ti4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0748","0.0662","","","0.1786","0.189","","","","","","1.058","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544185","30.336","0.002","12.1037","0.001","29.271","0.002","90","","118.588","0.004","90","","9437.3","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H71 N3 P2 Si Ti -","- C47 H71 N3 P2 Si Ti -","- C376 H568 N24 P16 Si8 Ti8 -","8","2","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0637","0.0506","","","0.1214","0.1276","","","","","","1.127","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544186","15.3708","0.001","12.8618","0.0008","23.2563","0.0015","90","","92.737","0.004","90","","4592.4","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72.8 N3 O P2 Ti -","- C44 H62.8 N3 P2 Ti -","- C176 H251.2 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0565","0.0418","","","0.0951","0.102","","","","","","1.037","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544187","13.5295","0.0004","19.597","0.0006","16.8163","0.0005","90","","111.694","0.002","90","","4142.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N2 O P2 Ti -","- C44 H62 N2 O P2 Ti -","- C176 H248 N8 O4 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0881","0.0582","","","0.1332","0.1504","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544188","12.7371","0.0006","14.7015","0.0007","26.1005","0.0012","90","","90","","90","","4887.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H77 N3 P2 Ti -","- C50 H77 N3 P2 Ti -","- C200 H308 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0647","0.0589","","","0.1456","0.1483","","","","","","1.142","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544196","8.5035","0.0002","7.1303","0.0002","23.6793","0.0006","90","","95.742","0.0012","90","","1428.53","0.06","100","2","99.77","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Semakul, Natthawat; Jackson, Kelvin E.; Paton, Robert S.; Rovis, Tomislav","Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C-H activation.","Chemical science","2017","8","2","1015","1020","10.1039/c6sc02587k","","","0.71073","MoKα","","0.135","0.0685","","","0.1558","0.1811","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544197","9.1646","0.0003","10.8129","0.0004","17.358","0.0008","86.495","0.006","85.651","0.006","84.191","0.006","1703.87","0.12","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 B2 F8 N5 O Pd -","- C34 H33 B2 F8 N5 O Pd -","- C68 H66 B4 F16 N10 O2 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.1223","0.0954","","","0.2392","0.2774","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544198","8.88787","0.00016","10.65997","0.00019","12.1038","0.0002","101.284","0.007","100.453","0.007","102.182","0.007","1069.19","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N6 O2 Pd -","- C46 H42 N6 O2 Pd -","- C46 H42 N6 O2 Pd -","1","0.5","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0617","0.0541","","","0.1382","0.1453","","","","","","1.15","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544199","13.2547","0.0002","14.2678","0.0003","15.5271","0.0003","95.506","0.007","93.223","0.007","105.522","0.007","2805.98","0.14","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H55 B2 F8 N6 O2 Pd -","- C60 H55 B2 F8 N6 O2 Pd -","- C120 H110 B4 F16 N12 O4 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.111","0.0858","","","0.2357","0.2542","","","","","","1.112","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544200","11.3565","0.0002","11.5389","0.0002","15.0221","0.0003","90","","107.367","0.008","90","","1878.78","0.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0636","0.0575","","","0.1571","0.1613","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544201","12.2208","0.0005","12.9781","0.0004","15.6515","0.0003","90.05","0.002","96.32","0.002","117.495","0.003","2184.84","0.13","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F N3 O -","- C27 H20 F N3 O -","- C108 H80 F4 N12 O4 -","4","2","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0398","0.0358","","","0.0996","0.102","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544202","18.8592","0.0004","7.68843","0.00016","18.4442","0.0003","90","","114.263","0.008","90","","2438.14","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 O -","- C30 H27 N3 O -","- C120 H108 N12 O4 -","4","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.1009","0.055","","","0.1637","0.1747","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544203","10.7056","0.0003","16.7664","0.0004","18.6108","0.0005","97.072","0.007","99.663","0.007","102.242","0.007","3174.3","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 F2 N6 O2 Pd -","- C54 H40 F2 N6 O2 Pd -","- C108 H80 F4 N12 O4 Pd2 -","2","1","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","1.54187","CuKα","","0.0797","0.0659","","","0.1948","0.2041","","","","","","1.117","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544204","15.7265","0.0003","20.4033","0.0004","21.0479","0.0003","82.8458","0.0015","82.6021","0.0016","69.0081","0.0018","6230.5","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H41.5 F8 N6.5 O8 S2 Zn -","- C57 H41.5 F8 N6.5 O8 S2 Zn -","- C228 H166 F32 N26 O32 S8 Zn4 -","4","2","","Adachi, Shinya; Kumagai, Naoya; Shibasaki, Masakatsu","Pyramidalization/twisting of the amide functional group via remote steric congestion triggered by metal coordination.","Chemical science","2017","8","1","85","90","10.1039/c6sc03669d","","","0.71073","MoKα","","0.0818","0.0721","","","0.1973","0.2052","","","","","","1.02","","","","has coordinates","196311","2020-10-21","18:00:00",""
"1544205","13.283","0.002","13.585","0.002","7.6811","0.0013","90","","90","","90","","1386.1","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C–N and C–O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0417","0.038","","","0.0873","0.0897","","","","","","1.091","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544206","10.4599","0.0018","13.687","0.002","10.111","0.0017","90","","116.27","0.003","90","","1298","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Au I2 N -","- C13 H8 Au I2 N -","- C52 H32 Au4 I8 N4 -","4","1","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0401","0.0341","","","0.0849","0.0878","","","","","","1.067","","","","has coordinates","191524","2020-10-21","18:00:00",""
"1544207","14.26","0.009","20.667","0.013","14.033","0.009","90","","104.38","0.01","90","","4006","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Au F6 I N2 Sb -","- C18 H13 Au F6 I N2 Sb -","- C144 H104 Au8 F48 I8 N16 Sb8 -","8","2","","Serra, Jordi; Parella, Teodor; Ribas, Xavi","Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis","Chem. Sci.","2017","8","2","946","","10.1039/C6SC03699F","","","0.71073","MoKα","","0.0875","0.0598","","","0.1414","0.1587","","","","","","1.044","","","","has coordinates,has disorder","191524","2020-10-21","18:00:00",""
"1544209","10.6057","0.0011","13.3692","0.0018","14.5882","0.0017","80.422","0.01","78.548","0.011","70.256","0.009","1897","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C99 H71 Cl3 N6 -","- C99 H71 Cl3 N6 -","- C99 H71 Cl3 N6 -","1","0.5","","Park, In Seob; Komiyama, Hideaki; Yasuda, Takuma","Pyrimidine-based twisted donor-acceptor delayed fluorescence molecules: a new universal platform for highly efficient blue electroluminescence.","Chemical science","2017","8","2","953","960","10.1039/c6sc03793c","","","0.71075","MoKα","","0.0927","0.0731","","","0.1727","0.1862","","","","","","1.071","","","","has coordinates","196347","2020-10-21","18:00:00",""
"1544210","10.857","0.002","15.141","0.003","17.359","0.003","108.566","0.004","96.63","0.004","96.91","0.004","2649.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H22 F14 N2 Na O7 -","- C42 H22 F14 N2 Na O7 -","- C84 H44 F28 N4 Na2 O14 -","2","1","","Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan","Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination","Chem. Sci.","2017","8","2","1469","","10.1039/C6SC03383K","","","0.71073","MoKα","","0.1361","0.0695","","","0.1813","0.2064","","","","","","0.872","","","","has coordinates,has disorder","191515","2020-10-21","18:00:00",""
"1544211","7.5465","0.0013","7.9565","0.0014","22.733","0.004","84.375","0.004","89.317","0.004","72.275","0.004","1293.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H5 F6 N O2 -","- C14 H5 F6 N O2 -","- C56 H20 F24 N4 O8 -","4","2","","Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan","Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C–H hydroxylation and amination","Chem. Sci.","2017","8","2","1469","","10.1039/C6SC03383K","","","0.71073","MoKα","","0.0942","0.0673","","","0.1822","0.2054","","","","","","1.035","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544221","12.6607","0.0006","15.4354","0.0007","16.1838","0.0009","101.482","0.003","112.975","0.002","93.732","0.002","2817.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","PyrCu(II)-nitrophenoxide","","- C57 H87 Cu N5 O6 -","- C57 H87 Cu N5 O6 -","- C114 H174 Cu2 N10 O12 -","2","1","","Dhar, Debanjan; Yee, Gereon M.; Markle, Todd F.; Mayer, James M.; Tolman, William B.","Reactivity of the copper(iii)-hydroxide unit with phenols","Chem. Sci.","2017","8","2","1075","","10.1039/C6SC03039D","","","1.54178","CuKα","","0.0478","0.0408","","","0.0983","0.1036","","","","","","1.025","","","","has coordinates","191504","2020-10-21","18:00:00",""
"1544232","6.848","0.0001","20.4301","0.0003","17.057","0.0002","90","","90.304","0.0011","90","","2386.33","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 F3 N3 O4 S2 -","- C25 H20 F3 N3 O4 S2 -","- C100 H80 F12 N12 O16 S8 -","4","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.0326","0.0313","","0.0824","0.0812","0.0824","","","","","","0.9995","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544233","7.4653","0.0002","9.9343","0.0004","17.6618","0.0005","89.239","0.003","85.681","0.002","72.865","0.003","1248.09","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F3 N3 O4 S2 -","- C26 H22 F3 N3 O4 S2 -","- C52 H44 F6 N6 O8 S4 -","2","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.0363","0.0358","","0.0978","0.097","0.0978","","","","","","1.0039","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544234","15.2695","0.0004","5.9545","0.0002","19.0281","0.0007","90","","91.54","0.003","90","","1729.45","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N2 O S -","- C18 H17 F3 N2 O S -","- C72 H68 F12 N8 O4 S4 -","4","1","","Ricci, Paolo; Khotavivattana, Tanatorn; Pfeifer, Lukas; Médebielle, Maurice; Morphy, John Richard; Gouverneur, Véronique","The dual role of thiourea in the thiotrifluoromethylation of alkenes.","Chemical science","2017","8","2","1195","1199","10.1039/c6sc02790c","","","1.5418","CuKα","","0.1033","0.0976","","0.2648","0.258","0.2648","","","","","","0.9831","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544235","6.05221","0.00008","17.0223","0.0003","19.5981","0.0003","90","","90","","90","","2019.05","0.05","217.05","0.1","217.05","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0546","0.0524","","","0.1425","0.147","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544236","9.20362","0.00017","10.9688","0.0003","19.3712","0.0004","90","","100.345","0.002","90","","1923.79","0.08","295.1","0.5","295.1","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","2","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0558","0.0532","","","0.1488","0.1523","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544237","19.3566","0.0003","15.6297","0.0002","20.726","0.0003","90","","90","","90","","6270.4","0.16","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Dy2 O8 -","- C64 H102 Dy2 O8 -","- C256 H408 Dy8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0385","0.0252","","","0.0539","0.0616","","","","","","1.142","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544238","19.3525","0.0005","15.6285","0.0003","20.6896","0.0005","90","","90","","90","","6257.6","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 O8 Y2 -","- C64 H102 O8 Y2 -","- C256 H408 O32 Y8 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0696","0.0373","","","0.0735","0.0831","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544239","19.3419","0.0003","15.68151","0.00018","20.772","0.0003","90","","90","","90","","6300.36","0.15","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Gd2 O8 -","- C64 H102 Gd2 O8 -","- C256 H408 Gd8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0373","0.0237","","","0.0471","0.0535","","","","","","1.138","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544247","14.7815","0.0005","9.0701","0.0003","21.2106","0.0008","90","","106.718","0.004","90","","2723.5","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HOFTPE3N","","","- C26 H17 N3 O6 -","- C26 H17 N3 O6 -","- C104 H68 N12 O24 -","4","1","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54184","CuKα","","0.0707","0.0572","","","0.1601","0.1729","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544248","19.9155","0.0002","19.9155","0.0002","13.4286","0.0002","90","","90","","90","","5326.15","0.11","173","2","173","2","","","","","","","","4","P 42/n","-P 4bc","86","HOFTPE4N","","","- C26 H16 N4 O8 -","- C26 H16 N4 O8 -","- C208 H128 N32 O64 -","8","","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54178","CuKα","","0.0644","0.0528","","","0.147","0.1594","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544249","10.52308","0.00018","8.79827","0.00018","22.9441","0.0004","90","","95.4899","0.0016","90","","2114.53","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O4 -","- C26 H18 N2 O4 -","- C104 H72 N8 O16 -","4","1","","Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo","The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials","Chem. Sci.","2017","8","2","1163","","10.1039/C6SC03177C","","","1.54184","CuKα","","0.0458","0.0411","","","0.1123","0.1161","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544250","35.113","0.004","34.407","0.004","24.991","0.003","90","","100.595","0.002","90","","29678","6","120","2","120.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C226 H218 Ag38 Au3 Br1.9 Cl25.1 P2 S24 -","- C226 H218 Ag38 Au3 Br1.9 Cl25.1 P2 S24 -","- C904 H872 Ag152 Au12 Br7.6 Cl100.4 P8 S96 -","4","1","","Wang, Zhi; Senanayake, Ravithree; Aikens, Christine M.; Chen, Wen-Miao; Tung, Chen-Ho; Sun, Di","Gold-doped silver nanocluster [Au3Ag38(SCH2Ph)24X5](2-) (X = Cl or Br).","Nanoscale","2016","8","45","18905","18911","10.1039/c6nr06615a","","","0.71073","MoKα","","0.1507","0.0999","","","0.2695","0.2929","","","","","","1.059","","","","has coordinates","190227","2020-10-21","18:00:00",""
"1544257","23.272","0.004","9.7485","0.0017","37.173","0.006","90","","94.149","0.002","90","","8411","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Na O6 Si4 -","- C37 H59 Na O6 Si4 -","- C296 H472 Na8 O48 Si32 -","8","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.0779","0.0465","","","0.1045","0.1178","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544258","9.531","0.005","17.403","0.008","15.039","0.007","90","","90.873","0.006","90","","2494","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H39 Li O6 Si3 -","- C16 H39 Li O6 Si3 -","- C64 H156 Li4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.2205","0.0762","","","0.1172","0.1585","","","","","","0.949","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544259","15.729","0.002","9.9209","0.0013","17.212","0.002","90","","90.3515","0.0014","90","","2685.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H39 Ge Na O6 Si3 -","- C15 H39 Ge Na O6 Si3 -","- C60 H156 Ge4 Na4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.0369","0.0266","","","0.0645","0.0682","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544260","8.141","0.002","19.245","0.006","16.727","0.005","90","","90.528","0.004","90","","2620.6","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H39 Ge K O6 Si3 -","- C15 H39 Ge K O6 Si3 -","- C60 H156 Ge4 K4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.1094","0.096","","","0.2123","0.2175","","","","","","1.279","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544261","8.698","0.006","18.417","0.012","16.289","0.011","90","","90.2","0.01","90","","2609","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 K O6 Si3 -","- C16 H39 K O6 Si3 -","- C64 H156 K4 O24 Si12 -","4","1","","Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C.","Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.","Chemical science","2017","8","2","1316","1328","10.1039/c6sc02390h","","","0.71073","MoKα","","0.1153","0.0699","","","0.1627","0.1863","","","","","","0.936","","","","has coordinates","196350","2020-10-21","18:00:00",""
"1544262","5.2167","0.0007","10.4562","0.0012","18.815","0.003","90","","90","","90","","1026.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian","Rh(iii)-catalyzed double C–H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis","Chem. Sci.","2017","8","2","1303","","10.1039/C6SC03888C","","","0.71073","MoKα","","0.0379","0.035","","","0.0828","0.0838","","","","","","1.146","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544277","10.0682","0.0002","13.5159","0.0002","14.7514","0.0002","90","","92.352","0.001","90","","2005.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 I O P2 -","- C17 H31 I O P2 -","- C68 H124 I4 O4 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","1.54178","CuKα","","0.0465","0.0395","","","0.1013","0.1071","","","","","","1.078","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544278","8.4848","0.0002","12.9532","0.0003","14.0671","0.0003","90","","105.04","0.001","90","","1493.09","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 P2 -","- C14 H26 P2 -","- C56 H104 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","1.54178","CuKα","","0.0421","0.0381","","","0.1018","0.1067","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544279","23.5655","0.0016","10.2998","0.0007","20.9628","0.0014","90","","98.051","0.002","90","","5037.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl6 I2 P2 -","- C14 H22 Cl6 I2 P2 -","- C112 H176 Cl48 I16 P16 -","8","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.0248","0.0204","","","0.0482","0.0503","","","","","","1.046","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544280","9.6408","0.0009","12.6202","0.0012","22.256","0.002","90","","90","","90","","2707.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 Ni O2 P2 -","- C27 H46 Ni O2 P2 -","- C108 H184 Ni4 O8 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.061","0.0477","","","0.1111","0.1182","","","","","","1.01","","","","has coordinates","191523","2020-10-21","18:00:00",""
"1544285","9.3816","0.0004","6.7781","0.0003","16.9307","0.0006","90","","99.5145","0.0011","90","","1061.8","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","","Jash, Biswarup; Scharf, Philipp; Sandmann, Nikolas; Fonseca Guerra, Célia; Megger, Dominik A.; Müller, Jens","A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases.","Chemical science","2017","8","2","1337","1343","10.1039/c6sc03482a","","","0.71073","MoKα","","0.0617","0.047","","","0.1287","0.1397","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544287","10.4706","0.0012","22.65","0.003","19.939","0.002","90","","98.7248","0.0016","90","","4674","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H86 P3 Rh -","- C50 H86 P3 Rh -","- C200 H344 P12 Rh4 -","4","1","","Suga, Takuya; Saitou, Takanobu; Takaya, Jun; Iwasawa, Nobuharu","Mechanistic study of the rhodium-catalyzed carboxylation of simple aromatic compounds with carbon dioxide","Chem. Sci.","2017","8","2","1454","","10.1039/C6SC03838G","","","0.71075","MoKα","","0.0693","0.0567","","","0.1364","0.1462","","","","","","1.074","","","","has coordinates","191514","2020-10-21","18:00:00",""
"1544314","8.4616","0.0004","11.5086","0.0005","12.4957","0.0006","83.427","0.001","77.321","0.001","83.71","0.001","1174.89","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","BzPPh(O)-DTE","","- C26 H23 O P S2 -","- C26 H23 O P S2 -","- C52 H46 O2 P2 S4 -","2","1","","Wu, Nathan Man-Wai; Wong, Hok-Lai; Yam, Vivian Wing-Wah","Photochromic benzo[b]phosphole oxide with excellent thermal irreversibility and fatigue resistance in the thin film solid state via direct attachment of dithienyl units to the weakly aromatic heterocycle","Chem. Sci.","2017","8","2","1309","","10.1039/C6SC02928K","","","0.71073","MoKα","","0.0557","0.0443","","","0.1143","0.1232","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544315","5.7992","0.0005","11.4342","0.0009","24.017","0.002","90","","90","","90","","1592.5","0.2","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Fe N O -","- C20 H19 Fe N O -","- C80 H76 Fe4 N4 O4 -","4","1","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0496","0.0428","","0.0542","0.0511","0.0498","","","","","","1.0725","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544316","9.7138","0.0005","9.7138","0.0005","33.882","0.002","90","","90","","120","","2768.7","0.3","123","","123","","","","","","","","","5","P 32","P 32","145","","","","- C22 H21 Fe N O3 -","- C22 H21 Fe N O3 -","- C132 H126 Fe6 N6 O18 -","6","2","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0399","0.0357","","0.0444","0.0391","0.0402","","","","","","1.075","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544356","9.091","0.0003","18.1061","0.0007","20.6924","0.0007","90","","90","","90","","3406","0.2","110","2","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 Br N O5 Si -","- C33 H46 Br N O5 Si -","- C132 H184 Br4 N4 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Stereodivergent, Diels–Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application","Chem. Sci.","2017","8","2","1511","","10.1039/C6SC04273B","","","1.54178","CuKα","","0.0423","0.0328","","","0.0707","0.0774","","","","","","1.126","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544357","8.8396","0.0003","17.5572","0.0007","11.6494","0.0004","90","","94.347","0.002","90","","1802.77","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain","Highly enantioselective metallation–substitution alpha to a chiral nitrile","Chem. Sci.","2017","8","2","1436","","10.1039/C6SC03712G","","","1.54178","CuKα","","0.1283","0.0825","","","0.2026","0.2326","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544369","11.727","0.002","11.727","","20.29","0.003","90","","90","","120","","2416.5","0.5","127","2","127","2","","","","","","","","8","P -3","-P 3","147","","","","- C60 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","- C59.964 H72 Br2 F48 I6 K2 N4 O12 -","1","0.166667","","Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe","Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems","Chem. Sci.","2017","8","3","1801","","10.1039/C6SC04478F","","","0.71073","MoKα","","0.0419","0.0337","","","0.0887","0.0903","","","","","","1.099","","","","has coordinates,has disorder","193741","2020-10-21","18:00:00",""
"1544385","35.1845","0.0011","14.8561","0.0002","31.0855","0.0008","90","","101.739","0.003","90","","15908.7","0.7","100","0.1","100","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6 -","- C114.69 H129.66 Br0.465 Cl3.141 I12 N24 O0.93 Zn6 -","- C458.76 H518.64 Br1.86 Cl12.564 I48 N96 O3.72 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","x-ray","1.54184","CuKα","","0.0762","0.0542","","","0.165","0.1894","","","","","","1.027","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544386","35.2593","0.0005","14.8434","0.0001","31.0697","0.0004","90","","101.611","0.001","90","","15928.1","0.3","93","2","93","2","","","","","","","","8","C 1 2 1","C 2y","5","","Cycloelatanene B with ZnI2-TPT crystalline sponge","","- C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6 -","- C118.68 H134.52 Br0.8549 Cl0.8549 I12 N24 O1.7098 Zn6 -","- C474.718 H538.08 Br3.4196 Cl3.4196 I48 N96 O6.8392 Zn24 -","4","1","","Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia","Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method","Chem. Sci.","2017","8","2","1547","","10.1039/C6SC04288K","","","0.71073","MoKα","","0.0435","0.034","","","0.0937","0.0997","","","","","","1.034","","","","has coordinates,has disorder","191509","2020-10-21","18:00:00",""
"1544404","24.5647","0.0002","8.4279","0.0001","16.8859","0.0001","90","","91.172","0.001","90","","3495.14","0.05","120","2","119.96","0.13","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H36 Cl F5 N4 O2 U -","- C37 H36 Cl F5 N4 O2 U -","- C148 H144 Cl4 F20 N16 O8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0273","0.027","","","0.0677","0.068","","","","","","1.038","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544405","14.486","0.005","30.377","0.005","12.092","0.005","90","0.005","107.081","0.005","90","0.005","5086","3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Cl3 F5 N4 O2 Ti2 U -","- C51 H50 Cl3 F5 N4 O2 Ti2 U -","- C204 H200 Cl12 F20 N16 O8 Ti8 U4 -","4","1","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","","1.54184","CuKα","","0.0843","0.0561","","","0.101","0.1115","","","","","","1.063","","","","has coordinates","196309","2020-10-21","18:00:00",""
"1544406","16.0945","0.0002","28.2241","0.0004","19.2594","0.0003","90","","105.247","0.002","90","","8440.7","0.2","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cl Co F5 N4 O2.5 U -","- C37 H38 Cl Co F5 N4 O2.5 U -","- C296 H304 Cl8 Co8 F40 N32 O20 U8 -","8","2","","Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B.","Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin.","Chemical science","2017","8","1","108","116","10.1039/c6sc02912d","","x-ray","0.71073","MoKα","","0.0451","0.0334","","","0.0711","0.0757","","","","","","1.069","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544443","9.6533","0.0002","13.2733","0.0003","15.1062","0.0003","90","","90.485","0.002","90","","1935.51","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SHB2t","","- C24 H16 O2 S2 -","- C24 H16 O2 S2 -","- C96 H64 O8 S8 -","4","1","","Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew","White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism","Chem. Sci.","2017","8","3","1909","","10.1039/C6SC03038F","","","1.54178","CuKα","","0.0467","0.0374","","","0.0987","0.106","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544444","9.3865","0.0003","12.1945","0.0003","26.4154","0.0006","90","","94.268","0.002","90","","3015.22","0.14","294.83","0.1","294.83","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SDB2t","","- C37 H24 Cl2 O2 S3 -","- C37 H24 Cl2 O2 S3 -","- C148 H96 Cl8 O8 S12 -","4","0.5","","Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew","White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism","Chem. Sci.","2017","8","3","1909","","10.1039/C6SC03038F","","","1.54178","CuKα","","0.0469","0.037","","","0.0928","0.0992","","","","","","1.028","","","","has coordinates","193734","2020-10-21","18:00:00",""
"1544458","6.98145","0.00013","21.3099","0.0004","8.10016","0.00014","90","","97.9679","0.0017","90","","1193.46","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl N2 O5 -","- C11 H11 Cl N2 O5 -","- C44 H44 Cl4 N8 O20 -","4","1","","Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong","Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides.","Chemical science","2017","8","2","1570","1575","10.1039/c6sc04357g","","x-ray","1.54184","CuKα","","0.0306","0.0285","","","0.0746","0.0758","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544462","9.067","0.005","9.572","0.004","14.08","0.007","89.833","0.015","82.205","0.018","85.541","0.016","1207","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","ysl-cycloaddition-pro-Allyl","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","0.71073","MoKα","","0.0643","0.0424","","","0.0966","0.1092","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544463","7.8529","0.0008","15.3187","0.0015","20.944","0.002","90","","90","","90","","2519.5","0.4","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ysl-acid-unnatural","","- C25 H32 Cl2 N2 O6 -","- C25 H32 Cl2 N2 O6 -","- C100 H128 Cl8 N8 O24 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.095","0.0631","","","0.1638","0.1842","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544464","27.2685","0.0008","27.2685","0.0008","7.6863","0.0003","90","","90","","90","","5715.3","0.3","100","","100","","","","","","","","","4","I 4","I 4","79","","ysl-518-OBn-natural","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C248 H304 N16 O40 -","8","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0764","0.051","","","0.1246","0.1399","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1544465","8.9658","0.0001","14.5779","0.0002","17.7311","0.0003","90","","90","","90","","2317.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ysl-cycloaddition-pro-CO2Me-unnatural","","- C25 H30 N2 O7 -","- C25 H30 N2 O7 -","- C100 H120 N8 O28 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0305","0.0291","","","0.0714","0.0725","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544481","5.0603","0.0008","21.361","0.004","17.169","0.003","90","","96.419","0.004","90","","1844.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br Cl2 O S -","- C20 H15 Br Cl2 O S -","- C80 H60 Br4 Cl8 O4 S4 -","4","1","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71073","MoKα","","0.033","0.0285","","","0.0708","0.0732","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544482","18.742","0.002","15.6215","0.0019","13.97","0.0015","90","","98.216","0.004","90","","4048.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl N O3 S -","- C24 H16 Cl N O3 S -","- C192 H128 Cl8 N8 O24 S8 -","8","2","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71073","MoKα","","0.0982","0.0568","","","0.1283","0.1457","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544483","6.0792","0.0009","14.673","0.002","23.976","0.004","90","","91.386","0.004","90","","2138","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8.5 F1.5 O2 S -","- C11 H8.5 F1.5 O2 S -","- C88 H68 F12 O16 S8 -","8","2","","Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin","Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water.","Chemical science","2017","8","2","1601","1606","10.1039/c6sc04504a","","","0.71076","MoKα","","0.0992","0.064","","","0.1398","0.1567","","","","","","1.043","","","","has coordinates,has disorder","204121","2020-10-21","18:00:00",""
"1544510","7.8768","0.0001","8.0811","0.0001","8.6738","0.0006","68.1","0.005","66.086","0.005","61.433","0.004","432.1","0.04","93","","93","","","","","","","","","6","P -1","-P 1","2","Ir(pyalk)2Cl2, ""purple isomer""","trans-Cl, trans-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","1","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0334","0.0334","","","0.082","0.082","","","","","","1.063","","","","has coordinates","196354","2020-10-21","18:00:00",""
"1544511","16.9129","0.0003","16.9129","0.0003","25.3688","0.0018","90","","90","","90","","7256.6","0.5","93","","93","","","","","","","","","6","I 41/a","-I 4ad","88","Ir(pyalk)2Cl2, ""maroon isomer""","trans-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C16 H20 Cl2 Ir N2 O2 -","- C16 H20 Cl2 Ir N2 O2 -","- C256 H320 Cl32 Ir16 N32 O32 -","16","","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54187","CuKα","","0.0239","0.0234","","","0.0516","0.0519","","","","","","1.036","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1544512","8.8884","0.0003","9.6675","0.0003","12.5862","0.0009","95.132","0.007","109.482","0.008","110.349","0.008","929.79","0.12","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Ir(pyalk)(Hpyalk)Cl2, red isomer","Hydrogen cis-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridate(III)","","- C16 H23 Cl2 Ir N2 O3 -","- C16 H23 Cl2 Ir N2 O3 -","- C32 H46 Cl4 Ir2 N4 O6 -","2","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0183","0.0171","","","0.0444","0.0452","","","","","","0.881","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544513","7.9001","0.0001","18.4626","0.0003","14.3136","0.001","90","","95.04","0.007","90","","2079.66","0.15","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(pyalk)2Cl2, ""green isomer""","cis-Cl, cis-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C18 H24 Cl2 Ir N2 O3 -","- C18 H24 Cl2 Ir N2 O3 -","- C72 H96 Cl8 Ir4 N8 O12 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","1.54178","CuKα","","0.0307","0.0284","","","0.0681","0.07","","","","","","1.061","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544514","8.7599","0.0002","15.6388","0.0003","15.6017","0.0011","90","","98.373","0.007","90","","2114.56","0.17","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(pyalk)2Cl2, ""red isomer""","cis-Cl, cis-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C17 H22 Cl4 Ir N2 O2 -","- C17 H22 Cl4 Ir N2 O2 -","- C68 H88 Cl16 Ir4 N8 O8 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0235","0.0203","","","0.0409","0.0418","","","","","","1.061","","","","has coordinates","196354","2020-10-21","18:00:00",""
"1544515","9.044","0.007","13.823","0.009","17.039","0.013","90","0.016","95.227","0.013","90","0.019","2121","3","496","2","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ir(pyalk)(Hpyalk)Cl2, green isomer","Hydrogen cis-Cl, cis-O, trans-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridate(III)","","- C33 H48 Cl6 Ir2 N4 O6 -","- C33 H48 Cl6 Ir2 N4 O6 -","- C66 H96 Cl12 Ir4 N8 O12 -","2","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0547","0.0448","","","0.1334","0.1464","","","","","","1.168","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544516","8.4303","0.0002","13.4446","0.0003","14.3559","0.001","74.431","0.005","85.859","0.006","81.771","0.006","1550.31","0.13","93","2","93","2","","","","","","","","7","P -1","-P 1","2","Na[Ir(pyalk)Cl4]","Sodium (2-{pyridin-2-yl}propan-2-olato)-tetrachloro-iridium(IV)","","- C8 H15 Cl4 Ir N Na O3.5 -","- C8 H15 Cl4 Ir N Na O3.5 -","- C32 H60 Cl16 Ir4 N4 Na4 O14 -","4","2","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71075","MoKα","","0.0348","0.0306","","","0.0559","0.0586","","","","","","1.094","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1544517","14.9782","0.0004","15.0278","0.0003","17.4463","0.0012","90","","90","","90","","3927","0.3","93","2","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ir(pyalk)2Cl2, ""yellow isomer""","cis-Cl, trans-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C33 H42 Cl6 Ir2 N4 O4 -","- C33 H42 Cl6 Ir2 N4 O4 -","- C132 H168 Cl24 Ir8 N16 O16 -","4","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0439","0.0369","","","0.0961","0.1013","","","","","","0.903","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544536","8.8078","0.0018","9.5713","0.0019","23.675","0.005","90","","90","","90","","1995.9","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C96 H72 Br4 N4 O12 -","4","1","","Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate.","Chemical science","2017","8","3","1936","1941","10.1039/c6sc04135c","","","0.71073","MoKα","","0.0304","0.029","","","0.0664","0.0671","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544554","6.657","0.002","34.537","0.013","19.811","0.008","90","","90","","90","","4555","3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(tert-butyldimethylsilyl)-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C25 H32 Si2 -","- C25 H32 Si2 -","- C200 H256 Si16 -","8","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.114","0.0987","","","0.2249","0.2401","","","","","","1.318","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544555","15.291","0.008","11.701","0.006","14.17","0.008","90","","93.057","0.007","90","","2532","2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(tert-Butyldimethylsilyl)-12-(trimethylsilyl)benzo[a]naphtho[2,3-e]pentalene","","- C29 H34 Si2 -","- C29 H34 Si2 -","- C116 H136 Si8 -","4","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.0922","0.0772","","","0.1967","0.2171","","","","","","1.168","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544556","7.221","0.003","11.79","0.005","16.389","0.009","110.915","0.01","93.663","0.016","94.99","0.02","1291.6","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","5-(tert-Butyldimethylsilyl)-3-(dimethylamino)-8-nitro-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C27 H36 N2 O2 Si2 -","- C27 H36 N2 O2 Si2 -","- C54 H72 N4 O4 Si4 -","2","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.1298","0.0765","","","0.1805","0.2282","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544557","6.5595","0.0009","41.849","0.003","6.9922","0.0005","90","","94.939","0.008","90","","1912.3","0.3","97.3","","97.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 F8 N3 O -","- C23 H11 F8 N3 O -","- C92 H44 F32 N12 O4 -","4","1","","Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong","Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.","Chemical science","2017","8","3","2086","2090","10.1039/c6sc04354b","","","0.7107","MoKα","","0.092","0.0642","","","0.1307","0.1452","","","","","","1.09","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544558","15.842","0.008","5.698","0.0005","16.7517","0.0015","90","","94.72","0.02","90","","1507","0.8","97.2","0.1","97.2","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F4 I2 N6 O2 -","- C32 H22 F4 I2 N6 O2 -","- C64 H44 F8 I4 N12 O4 -","2","0.5","","Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong","Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study.","Chemical science","2017","8","3","2086","2090","10.1039/c6sc04354b","","x-ray","0.71073","MoKα","","0.0399","0.0332","","","0.0705","0.0753","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544592","9.0286","0.0014","9.0591","0.0015","9.4956","0.0015","81.785","0.002","73.648","0.002","66.336","0.002","682.18","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 S4 -","- C30 H36 S4 -","- C30 H36 S4 -","1","0.5","","Dong, Xin; Tian, Hongkun; Xie, Zhiyuan; Geng, Yanhou; Wang, Fosong","Donor–acceptor conjugated polymers based on two-dimensional thiophene derivatives for bulk heterojunction solar cells","Polym. Chem.","2017","8","2","421","","10.1039/C6PY01767C","","","0.71073","MoKα","","0.0401","0.0358","","","0.0995","0.1112","","","","","","1.119","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544602","11.3281","0.0006","24.0698","0.0013","13.5639","0.0006","90","","110.91","0.002","90","","3454.8","0.3","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 F12 N4 O2 Si2 Zn2 -","- C56 H72 F12 N4 O2 Si2 Zn2 -","- C112 H144 F24 N8 O4 Si4 Zn4 -","2","0.5","","Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.","A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide","Chem. Sci.","2017","8","3","1876","","10.1039/C6SC04477H","","x-ray","0.71073","MoKα","","0.0316","0.0283","","","0.0692","0.0708","","","","","","1.041","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544603","10.5225","0.0011","11.8495","0.0013","16.4988","0.0018","91.643","0.005","107.641","0.005","115.266","0.004","1742.8","0.3","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C31 H45 F6 N3 Si2 Zn -","- C31 H45 F6 N3 Si2 Zn -","- C62 H90 F12 N6 Si4 Zn2 -","2","1","","Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.","A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide","Chem. Sci.","2017","8","3","1876","","10.1039/C6SC04477H","","x-ray","0.71073","MoKα","","0.0418","0.0364","","","0.0955","0.0991","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544629","19.4453","0.0005","15.7177","0.0002","23.5873","0.0007","90","","109.174","0.003","90","","6809.2","0.3","140","0.2","140","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 B4 Cl8 Fe2 N14 O12 -","- C56 H68 B4 Cl8.0001 Fe2 N14 O12 -","- C224 H272 B16 Cl32.0004 Fe8 N56 O48 -","4","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1089","0.0848","","","0.176","0.1888","","","","","","1.042","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544630","8.4174","0.0008","19.6607","0.0014","20.1792","0.0015","60.961","0.008","79.048","0.008","87.787","0.007","2860.9","0.5","140","0.2","140","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 B4 Cl6 Fe2 N14 O12 -","- C43 H54 B4 Cl6 Fe2 N14 O12 -","- C86 H108 B8 Cl12 Fe4 N28 O24 -","2","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.11","0.0813","","","0.1745","0.194","","","","","","1.045","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544631","20.2193","0.0012","20.6255","0.0011","21.5175","0.0012","63.61","0.005","76.958","0.005","85.618","0.005","7828.1","0.9","140","0.1","140","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","- C226 H267 B20 F16 Fe8 N65 O48 Pd2 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1212","0.0958","","","0.2057","0.222","","","","","","0.999","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544632","41.2884","0.0009","14.0841","0.0004","54.0058","0.0015","90","","97.789","0.002","90","","31115.2","1.4","140","","140","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C160 H192 B20 F16 Fe8 N56 O48 Pd2 -","- C160 H192 B20 F16 Fe8 N56 O48 Pd2 -","- C640 H768 B80 F64 Fe32 N224 O192 Pd8 -","4","1","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.2129","0.1467","","","0.2909","0.3321","","","","","","0.995","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544633","21.3764","0.0008","21.4422","0.0009","23.5362","0.001","105.44","0.004","91.132","0.003","90.267","0.003","10396.1","0.8","140","0.1","140","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","- C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.1317","0.0979","","","0.2092","0.2274","","","","","","1.002","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544634","20.6996","0.0019","21.9894","0.001","23.0916","0.0012","96.416","0.004","91.4","0.006","109.195","0.006","9843.2","1.2","140","0.1","140","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","- C244 H264 B20 F16 Fe8 N56 O56 Pd2 -","1","0.5","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.2287","0.1499","","","0.2913","0.3359","","","","","","1.063","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544635","17.5471","0.00008","17.5471","0.00008","62.6742","0.0005","90","","90","","90","","19297.4","0.2","140","0.1","140","0.1","","","","","","","","8","P 4/m n c","-P 4 2n","128","","","","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C264 H306 B20 F16 Fe8 N62 O56 Pd2 -","- C528 H612 B40 F32 Fe16 N124 O112 Pd4 -","2","0.125","","Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay","PdII2L4-type coordination cages up to three nanometers in size","Chem. Sci.","2017","8","3","1901","","10.1039/C6SC04732G","","x-ray","1.54184","CuKα","","0.0673","0.0653","","","0.1649","0.1667","","","","","","1.02","","","","has coordinates,has disorder","193752","2020-10-21","18:00:00",""
"1544644","14.8643","0.0004","19.384","0.0003","24.2728","0.0007","90","","107.004","0.003","90","","6688","0.3","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Y","","- C70 H83 Sb4 Y3 -","- C70 H83 Sb4 Y3 -","- C280 H332 Sb16 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0693","0.0459","","","0.0773","0.0868","","","","","","1.009","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544645","14.8968","0.0003","19.3308","0.0004","24.2616","0.0005","90","","106.568","0.002","90","","6696.5","0.2","150.02","0.1","150.02","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 Dy3 Sb4 -","- C70 H83 Dy3 Sb4 -","- C280 H332 Dy12 Sb16 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0411","0.0349","","","0.0581","0.0615","","","","","","1.016","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544646","15.113","0.0002","18.7437","0.0002","24.0965","0.0003","90","","103.339","0.001","90","","6641.75","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Dy","","- C70 H83 Dy3 Sb3 -","- C70 H83 Dy3 Sb3 -","- C280 H332 Dy12 Sb12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0303","0.0282","","","0.0635","0.0648","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544647","15.1052","0.0002","18.7715","0.0002","24.1263","0.0003","90","","103.437","0.001","90","","6653.68","0.14","150.02","0.11","150.02","0.11","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Y","","- C70 H83 Sb3 Y3 -","- C70 H83 Sb3 Y3 -","- C280 H332 Sb12 Y12 -","4","1","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0241","0.0213","","","0.0445","0.0455","","","","","","1.031","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544648","5.174","0.0002","7.9835","0.0004","11.2694","0.0005","88.921","0.004","79.679","0.004","73.714","0.004","439.35","0.04","150.01","0.13","150.01","0.13","","","","","","","","3","P -1","-P 1","2","","Dimesityldistibine","","- C18 H24 Sb2 -","- C18 H24 Sb2 -","- C18 H24 Sb2 -","1","0.5","","Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A.","Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling.","Chemical science","2017","8","3","2073","2080","10.1039/c6sc04465d","","","0.71073","MoKα","","0.0308","0.0236","","","0.0516","0.0548","","","","","","1.049","","","","has coordinates,has disorder","196364","2020-10-21","18:00:00",""
"1544649","19.7793","0.0008","19.7793","0.0008","11.2095","0.0007","90","","90","","120","","3797.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 65","P 65","170","","","","- C19 H35 N3 O7 -","- C19 H35 N3 O7 -","- C114 H210 N18 O42 -","6","1","","Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish","A self-assembled peptide mimetic of a tubular host and a supramolecular polymer","Polym. Chem.","2017","8","2","396","","10.1039/C6PY01955B","","x-ray","0.71073","MoKα","","0.0711","0.0591","","","0.1546","0.1625","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544655","22.63","0.008","23.529","0.009","19.425","0.007","90","","112.979","0.005","90","","9522","6","123","2","123","2","","","","","","","Synthesis","6","P 1 21/c 1","-P 2ybc","14","cyclo[6]aramide/Paraquat complex","cyclo[6]aramide and paraquat hexafluoro phosphate","","- C90 H121 F6 N7 O18 P -","- C90 H121 F6 N7 O18 P -","- C360 H484 F24 N28 O72 P4 -","4","1","","Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua","Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.","Chemical science","2017","8","3","2091","2100","10.1039/c6sc04714a","","","0.71073","MoKα","","0.1534","0.0896","","","0.2339","0.2667","","","","","","1.262","","","","has coordinates,has disorder","196360","2020-10-21","18:00:00",""
"1544656","22.928","0.002","25.6042","0.0012","23.2131","0.0015","90","","111.03","0.009","90","","12719.6","1.7","150","2","150","2","","","","","","","Synthesis","6","P 1 21/n 1","-P 2yn","14","[3]rotaxane of cyclo[6]aramides and paraquat derivatives","rotaxane-cyclo[6]aramides/paraquat","","- C216 H292 F12 N20 O36 P2 -","- C216 H292 F12 N20 O36 P2 -","- C432 H584 F24 N40 O72 P4 -","2","0.5","","Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua","Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.","Chemical science","2017","8","3","2091","2100","10.1039/c6sc04714a","","","0.71073","MoKα","","0.1758","0.1198","","","0.3108","0.3386","","","","","","1.051","","","","has coordinates,has disorder","196360","2020-10-21","18:00:00",""
"1544657","9.0651","0.0011","8.8852","0.001","33.617","0.005","90","","90","","90","","2707.7","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium) tetraiodoplumbate","bis(6-iodohexan-1-aminium) tetraiodoplumbate","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.","Decreasing the electronic confinement in layered perovskites through intercalation.","Chemical science","2017","8","3","1960","1968","10.1039/c6sc02848a","","","0.71073","MoKα","","0.043","0.0315","","","0.0661","0.0706","","","","","","1.123","","","","has coordinates,has disorder","196369","2020-10-21","18:00:00",""
"1544658","19.385","0.003","16.22","0.003","10.9215","0.0015","90","","107.035","0.018","90","","3283.3","1","113","2","113","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H36 Cl2 Ir O2 P -","- C39 H36 Cl2 Ir O2 P -","- C156 H144 Cl8 Ir4 O8 P4 -","4","1","","Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin","Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids.","Chemical science","2017","8","3","1977","1980","10.1039/c6sc03764j","","","0.71073","MoKα","","0.0321","0.0317","","","0.0748","0.075","","","","","","1.041","","","","has coordinates,has disorder","196368","2020-10-21","18:00:00",""
"1544660","13.7983","0.0008","18.7174","0.0011","19.3028","0.0011","90","","90","","90","","4985.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl11 N O P Pd -","- C45 H43 Cl11 N O P Pd -","- C180 H172 Cl44 N4 O4 P4 Pd4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","0.71073","MoKα","","0.0419","0.0328","","","0.0636","0.0666","","","","","","1.02","","","","has coordinates,has disorder","196361","2020-10-21","18:00:00",""
"1544661","6.077","0.0011","7.7665","0.0014","27.619","0.005","90","","90","","90","","1303.5","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N -","- C17 H17 N -","- C68 H68 N4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","1.54178","CuKα","","0.0273","0.0272","","","0.071","0.0711","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544673","6.721","0.002","7.603","0.003","17.455","0.0006","113.2","0.1","82.3","0.1","94.1","0.1","812.3","0.7","","","","","","","","","","","","3","P -1","-P 1","2","MnSiO3","","MnSiO3 synthetic pyroxmangite","- Mn O3 Si -","- Mn O3 Si -","- Mn14 O42 Si14 -","14","7","","Narita, H.; Koto, K.; Morimoto, N.","The crystal structures of MnSiO3 polymorphs (rhodonite- and pyroxmangite-type)","Mineralogical Journal","1977","8","","329","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","188701","2020-10-21","18:00:00",""
"1544674","7.616","0.003","11.851","0.005","6.707","0.002","92.55","0.1","94.35","0.1","105.67","0.1","579.8","0.5","","","","","","","","","","","","3","P -1","-P 1","2","MnSiO3","","MnSiO3 synthetic rhodonite","- Mn O3 Si -","- Mn O3 Si -","- Mn10 O30 Si10 -","10","5","","Narita, H.; Koto, K.; Morimoto, N.","The crystal structures of MnSiO3 polymorphs (rhodonite- and pyroxmangite-type)","Mineralogical Journal","1977","8","","329","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","188702","2020-10-21","18:00:00",""
"1544678","9.88","0.02","19.82","0.04","5.4","0.01","90","","90","","90","","1057","4","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","Cu5(OH)2(SiO3)4","","shattuckite","- Cu5 H2 O14 Si4 -","- Cu5 O14 Si4 -","- Cu20 O56 Si16 -","4","0.5","","Kawahara, A.","The crystal structure of shattuckite","Mineralogical Journal","1976","8","","193","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","188707","2020-10-21","18:00:00",""
"1544679","10.007","0.002","10.007","0.002","14","0.002","90","","90","","120","","1214.1","0.4","","","","","","","","","","","","7","P 6/m c c","-P 6 2c","192","(K0.81Na0.19)(H2O0.91Na0.64)2(Fe3+1.32Na0.59Ti0.06Fe0.03)2(Li2.12Al0.59Fe0.29)3Si12O30","","sugilite","- Al1.77 Fe3.51 K0.81 Li6.36 Na2.65 O30 Si12 -","- Fe2 K Li3 Na2 O30 Si12 -","- Fe4 K2 Li6 Na4 O60 Si24 -","2","0.0833333","","Kato, T.; Miura, Y.; Murakami, N.","Crystal structure of sugilite : O3 z corrected from 0.1072 to 0.172","Mineralogical Journal","1976","8","","184","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","188708","2020-10-21","18:00:00",""
"1544680","8.386","0.005","8.552","0.004","6.036","0.004","90","","90","","90","","432.9","0.4","","","","","","","","","","","","4","P n n m","-P 2 2n","58","Zn2(OH)AsO4","","adamite","- As H O5 Zn2 -","- As O5 Zn2 -","- As4 O20 Zn8 -","4","0.5","","Kato, T.; Miura, Y.","The crystal structures of adamite and paradamite","Mineralogical Journal","1977","8","","320","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","188709","2020-10-21","18:00:00",""
"1544681","5.83","0.001","6.711","0.002","5.648","0.001","104.73","0.02","92.26","0.01","76.81","0.01","208.04","0.08","","","","","","","","","","","","4","P -1","-P 1","2","Zn2(OH)AsO4","","paradamite","- As H O5 Zn2 -","- As O5 Zn2 -","- As2 O10 Zn4 -","2","1","","Kato, T.; Miura, Y.","The crystal structures of adamite and paradamite","Mineralogical Journal","1977","8","","320","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","188710","2020-10-21","18:00:00",""
"1544701","20.2513","0.0002","20.7166","0.0003","21.07611","0.00018","90","","90","","90","","8842.23","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 F6 N17 O9.75 P -","- C81.75 H139 F6 N17 O9.75 P -","- C327 H556 F24 N68 O39 P4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.1002","0.1036","","","","","","1.031","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544702","20.20836","0.00017","21.378","0.0002","20.70075","0.00019","90","","90.0578","0.0008","90","","8943.02","0.14","123","0.1","123","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H140 F6 N16 O10 P Sb -","- C82 H140 F6 N16 O10 P Sb -","- C328 H560 F24 N64 O40 P4 Sb4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0334","0.0327","","","0.0931","0.0932","","","","","","1.039","","","","has coordinates","193733","2020-10-21","18:00:00",""
"1544703","20.03081","0.00012","20.92663","0.00013","20.97159","0.00013","90","","90","","90","","8790.82","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C82 H140 B F4 N17 O10 -","- C82 H140 B F4 N17 O10 -","- C328 H560 B4 F16 N68 O40 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0553","0.0544","","","0.1574","0.1587","","","","","","1.061","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544704","20.1641","0.0003","20.8019","0.0003","21.1254","0.0003","90","","90","","90","","8861.1","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 N17 O13.75 Re -","- C81.75 H139 N17 O13.75 Re -","- C327 H556 N68 O55 Re4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0613","0.0594","","","0.1641","0.1662","","","","","","1.031","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544705","20.1263","0.0003","21.3089","0.0003","20.7811","0.0002","90","","90.0371","0.0012","90","","8912.4","0.2","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H140 I N16 O14 P -","- C82 H140 I0.9995 N16 O13.998 P -","- C328 H560 I3.998 N64 O55.992 P4 -","4","2","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","0.71073","MoKα","","0.0385","0.0362","","","0.0837","0.0862","","","","","","1.041","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544706","20.27229","0.00012","20.7328","0.00013","21.02695","0.00011","90","","90","","90","","8837.66","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C83 H140 F3 N17 O13 S -","- C83 H140 F3 N17 O13 S -","- C332 H560 F12 N68 O52 S4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0502","0.0492","","","0.1432","0.1445","","","","","","1.04","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544742","12.4327","0.0005","15.7628","0.0007","12.9117","0.0006","90","","97.2061","0.0009","90","","2510.37","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Au N2 P S -","- C26 H38 Au N2 P S -","- C104 H152 Au4 N8 P4 S4 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","x-ray","1.54178","CuKα","","0.0322","0.0317","","","0.0853","0.0859","","","","","","1.129","","","","has coordinates","196362","2020-10-21","18:00:00",""
"1544743","11.4778","0.0017","20.461","0.003","11.6734","0.0017","90","","111.062","0.002","90","","2558.3","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Au N2 O2 -","- C32 H25 Au N2 O2 -","- C128 H100 Au4 N8 O8 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","x-ray","1.54178","CuKα","","0.0241","0.024","","","0.0645","0.0645","","","","","","1.142","","","","has coordinates","196362","2020-10-21","18:00:00",""
"1544744","10.9501","0.0006","25.1526","0.0013","13.6349","0.0007","90","","102.556","0.001","90","","3665.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Au B F2 N2 P -","- C39 H51 Au B F2 N2 P -","- C156 H204 Au4 B4 F8 N8 P4 -","4","1","","Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming","The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands.","Chemical science","2017","8","3","2352","2364","10.1039/c6sc03775e","","","1.54178","CuKα","","0.0417","0.0409","","","0.1069","0.1077","","","","","","1.034","","","","has coordinates,has disorder","196362","2020-10-21","18:00:00",""
"1544751","17.8087","0.0005","11.3207","0.0003","17.3127","0.0005","90","","90","","90","","3490.36","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Compound 5","[SiP(iPr)2P(NMe)]FeNH2","","- C35 H53 Fe N2 P3 Si -","- C35 H53 Fe N2 P3 Si -","- C140 H212 Fe4 N8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0571","0.0393","","","0.0784","0.0845","","","","","","1.034","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544752","13.454","0.005","10.208","0.004","32.264","0.014","90","","90.86","0.008","90","","4431","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 6","{[SiP(iPr)2P(NMe)]FeN2}{Na(THF)2}","","- C43 H65 Fe N3 Na O2 P3 Si -","- C43 H65 Fe N3 Na O2 P3 Si -","- C172 H260 Fe4 N12 Na4 O8 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1237","0.086","","","0.1956","0.2116","","","","","","1.055","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544753","13.2134","0.0006","16.5453","0.0008","19.1158","0.0009","107.944","0.003","103.367","0.003","104.913","0.003","3616.2","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 3","{[SiP(iPr)2P(NMe)]FeNH3}{BArF4}","","- C69 H71 B F24 Fe N2 O0.5 P3 Si -","- C69 H71 B F24 Fe N2 O0.5 P3 Si -","- C138 H142 B2 F48 Fe2 N4 O P6 Si2 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","1.54178","CuKα","","0.1025","0.069","","","0.1612","0.1811","","","","","","1.014","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544754","16.278","0.003","12.177","0.002","24.314","0.004","90","","90.733","0.005","90","","4819.1","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H69 Fe N5 Na O3 P3 Si -","- C180 H276 Fe4 N20 Na4 O12 P12 Si4 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0996","0.0879","","","0.2229","0.2294","","","","","","1.173","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544755","10.4778","0.001","17.2329","0.0017","20.001","0.002","92.885","0.004","96.497","0.003","98.431","0.003","3541.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[SiP(iPr)2P(NMe)]Fe(N2)(H)","","- C35 H53 Fe N3 P3 Si -","- C35 H52 Fe N3 P3 Si -","- C140 H208 Fe4 N12 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0458","0.0358","","","0.0832","0.0883","","","","","","1.021","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1544756","12.6269","0.0013","16.1557","0.0017","20.397","0.002","86.951","0.005","77.672","0.005","72.605","0.005","3878.8","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 4","{]SiP(iPr)2P(NMe)]FeN2H4}{BArF4}","","- C73 H82 B F24 Fe N3 O1.5 P3 Si -","- C73 H82 B F24 Fe N3 O1.5 P3 Si -","- C146 H164 B2 F48 Fe2 N6 O3 P6 Si2 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0743","0.0552","","","0.1576","0.175","","","","","","1.021","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544757","24.918","0.006","16.256","0.004","12.349","0.003","90","","90","","90","","5002","2","270","2","200","2","","","","","","","","8","P n m a","-P 2ac 2n","62","Compound 6'","{[SiP(NMe)3]FeN2}{Na(THF)3}","","- C45 H69 Fe N5 Na O3 P3 Si -","- C45 H70 Fe N5 Na O3 P3 Si -","- C180 H280 Fe4 N20 Na4 O12 P12 Si4 -","4","0.5","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.1078","0.0699","","","0.1665","0.1863","","","","","","1.094","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544758","38.962","0.002","11.0406","0.0006","18.1487","0.0009","90","","90","","90","","7806.9","0.7","293","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Compound 1'","[SiP(NMe)3]FeCl","","- C39 H51 Cl Fe N3 P3 Si -","- C39 H47 Cl Fe N3 P3 Si -","- C312 H376 Cl8 Fe8 N24 P24 Si8 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0532","0.0481","","","0.1089","0.1108","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544759","10.6457","0.0005","19.2443","0.0009","16.2208","0.0008","90","","91.27","0.003","90","","3322.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Compound 2'","[SiP(NMe)3]FeN2","","- C33 H45 Cl0 Fe N5 P3 Si -","- C33 H45 Fe N5 P3 Si -","- C132 H180 Fe4 N20 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0501","0.0461","","","0.1121","0.1145","","","","","","1.1","","","","has coordinates","196367","2020-10-21","18:00:00",""
"1544760","17.5105","0.0012","20.6792","0.0014","22.9097","0.0016","102.798","0.003","94.824","0.003","111.77","0.003","7385","0.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Compound 3'","{[SiP(NMe)3]FeNH3}{BArF4}","","- C69 H70 B F24 Fe N4 O P3 Si -","- C69 H70 B F24 Fe N4 O P3 Si -","- C276 H280 B4 F96 Fe4 N16 O4 P12 Si4 -","4","2","","Creutz, Sidney E.; Peters, Jonas C.","Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation.","Chemical science","2017","8","3","2321","2328","10.1039/c6sc04805f","","","0.71073","MoKα","","0.0929","0.0549","","","0.1287","0.1496","","","","","","1.014","","","","has coordinates,has disorder","196367","2020-10-21","18:00:00",""
"1544780","13.0201","0.0018","13.0201","0.0018","13.1802","0.0019","90","","90","","90","","2234.3","0.5","173","2","173","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","","","- C16 H32.72 N4 O12.36 Zr -","- C16 H28.52 N4 O12.36 Zr -","- C64 H114.08 N16 O49.44 Zr4 -","4","0.5","","Pandya, Darpan N.; Bhatt, Nikunj; Yuan, Hong; Day, Cynthia S.; Ehrmann, Brandie M.; Wright, Marcus; Bierbach, Ulrich; Wadas, Thaddeus J.","Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development.","Chemical science","2017","8","3","2309","2314","10.1039/c6sc04128k","","","0.71073","MoKα","","0.05","0.0432","","","0.1061","0.1119","","","","","","1.067","","","","has coordinates,has disorder","196359","2020-10-21","18:00:00",""
"1544786","12.2584","0.0007","10.9135","0.0006","21.9058","0.0013","90","","104.66","0.0018","90","","2835.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(OC-6-44)-Diamminedichloridomethoxido[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylcarbamato]platinum(IV)","","- C8 H16 Cl2 N4 O5 Pt -","- C8 H16 Cl2 N4 O5 Pt -","- C64 H128 Cl16 N32 O40 Pt8 -","8","2","","Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.","An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo","Chem. Sci.","2017","8","3","2241","","10.1039/C6SC03862J","","","0.71073","MoKα","","0.0281","0.0218","","","0.0429","0.0443","","","","","","1.147","","","","has coordinates","193731","2020-10-21","18:00:00",""
"1544787","27.345","0.005","10.1753","0.0011","12.3345","0.0013","90","","101.328","0.005","90","","3365.1","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(OC-6-44)-Acetatodiamminedichlorido[2-(2,5-dioxopyrrolidin-1-yl)ethyl)carbamato]platinum(IV)","","- C9 H20 Cl2 N4 O7 Pt -","- C9 H20 Cl2 N4 O7 Pt -","- C72 H160 Cl16 N32 O56 Pt8 -","8","1","","Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.","An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo","Chem. Sci.","2017","8","3","2241","","10.1039/C6SC03862J","","","0.71073","MoKα","","0.0263","0.0241","","","0.0638","0.067","","","","","","1.089","","","","has coordinates","193731","2020-10-21","18:00:00",""
"1544788","29.4745","0.0004","35.8121","0.0005","48.4263","0.0007","86.379","0.001","75.637","0.001","74.164","0.001","47638.4","1.2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C697 H897 Ag115 P12 S81 -","- C697 H897 Ag115 P12 S81 -","- C1394 H1794 Ag230 P24 S162 -","2","1","","Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter","[Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster","Chem. Sci.","2017","8","3","2235","","10.1039/C6SC04578B","","x-ray","1.54178","CuKα","","0.186","0.1217","","","0.3358","0.3793","","","","","","1.158","","","","has coordinates,has disorder","193735","2020-10-21","18:00:00",""
"1544802","11.379","0.0006","22.2822","0.0012","16.4411","0.0009","90","","107.567","0.004","90","","3974.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B2 Cl F18 N3 -","- C35 H32 B2 Cl F18 N3 -","- C140 H128 B8 Cl4 F72 N12 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.087","0.0762","","","0.2005","0.212","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544803","12.936","0.0004","18.7832","0.0006","41.0326","0.0012","90","","94.5442","0.0015","90","","9938.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H51 B2 F18 N5 -","- C46 H51 B2 F18 N5 -","- C368 H408 B16 F144 N40 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0613","0.0543","","","0.139","0.1447","","","","","","1.037","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544804","9.3972","0.0002","12.2337","0.0003","16.8072","0.0004","73.1735","0.001","77.1382","0.0011","68.1258","0.001","1701.94","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H39.5 B F3.5 N5 O3 S -","- C31 H39.5 B F3.5 N5 O3 S -","- C62 H79 B2 F7 N10 O6 S2 -","2","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0461","0.0434","","","0.1229","0.1255","","","","","","1.063","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544805","13.5787","0.0003","12.2769","0.0002","11.1774","0.0002","90","","90","","90","","1863.32","0.06","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H21 B F3 N5 O3 S -","- C12 H21 B F3 N5 O3 S -","- C48 H84 B4 F12 N20 O12 S4 -","4","0.5","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0702","0.0684","","","0.1904","0.194","","","","","","1.061","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544806","12.6084","0.0003","19.7795","0.0006","24.1204","0.0006","90","","90","","90","","6015.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H53 B2 F24 N7 -","- C54 H53 B2 F24 N7 -","- C216 H212 B8 F96 N28 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0489","0.048","","","0.1325","0.1337","","","","","","1.045","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544807","25.1883","0.0019","12.192","0.0009","26.4276","0.0018","90","","98.253","0.003","90","","8031.8","1","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35.38 H33.75 B2 Cl0.75 F18 N3 -","- C35.375 H33.75 B2 Cl0.75 F18 N3 -","- C283 H270 B16 Cl6 F144 N24 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0642","0.0608","","","0.16","0.1632","","","","","","1.062","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544808","12.2423","0.0002","22.642","0.0004","14.6138","0.0002","90","","92.7542","0.0011","90","","4046.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H35 B2 F18 N3 -","- C35 H31 B2 F18 N3 -","- C140 H124 B8 F72 N12 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0802","0.0633","","","0.1762","0.1957","","","","","","1.058","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544809","7.543","0.001","11.336","0.002","11.424","0.002","63.483","0.003","89.755","0.004","88.763","0.004","873.9","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","1","0.5","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0652","0.0509","","","0.1353","0.1457","","","","","","1.048","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544810","19.724","0.004","19.724","0.004","45.031","0.009","90","","90","","120","","15172","5","84","2","85","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C14 H24 F6 Fe N24 O6 S2 -","- C14 H24 F6 Fe N24 O6 S2 -","- C252 H432 F108 Fe18 N432 O108 S36 -","18","1","","Urtizberea, A.; Roubeau, O.","Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound.","Chemical science","2017","8","3","2290","2295","10.1039/c6sc04737h","","","0.7749","synchrotron","","0.0609","0.0403","","","0.094","0.1087","","","","","","1.082","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544811","10.453","0.004","4.7776","0.0016","12.787","0.005","90","","91.545","0.006","90","","638.4","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Br2 F4 -","- C14 H6 Br2 F4 -","- C28 H12 Br4 F8 -","2","0.5","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor–acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.0332","0.0308","","","0.0721","0.0733","","","","","","1.147","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544812","18.983","0.007","6.635","0.002","28.718","0.011","90","","101.14","0.004","90","","3549","2","173.15","","173.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H12 F4 S2 -","- C22 H12 F4 S2 -","- C176 H96 F32 S16 -","8","2","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor–acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.0526","0.0488","","","0.0999","0.1027","","","","","","1.106","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544813","6.538","0.003","22.32","0.009","17.876","0.007","90","","95.624","0.005","90","","2596.1","1.9","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H18 F6 S3 -","- C33 H18 F6 S3 -","- C132 H72 F24 S12 -","4","1","","Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui","Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks","Polym. Chem.","2017","8","5","879","","10.1039/C6PY01922F","","","0.71073","MoKα","","0.1579","0.1478","","","0.3519","0.3586","","","","","","1.173","","","","has coordinates,has disorder","191767","2020-10-21","18:00:00",""
"1544822","8.2","0.0008","12.4012","0.0012","21.182","0.002","90","","90","","90","","2154","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1398","0.0595","","","0.0968","0.1205","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544823","8.73","0.005","13.396","0.005","11.372","0.005","90","0.005","101.968","0.005","90","0.005","1301","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","succinimide-piv","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1086","0.057","","","0.1253","0.1411","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544824","13.9364","0.0002","13.9364","0.0002","34.5285","0.0007","90","","90","","90","","6706.24","0.19","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C66 H52 Cl12 N2 O4 -","- C66 H52 Cl12 N2 O4 -","- C264 H208 Cl48 N8 O16 -","4","1","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1013","0.073","","","0.2046","0.2326","","","","","","1.022","","","","has coordinates,has disorder","288471","2023-12-21","10:03:37",""
"1544825","11.4627","0.0005","11.8704","0.0005","15.645","0.0006","76.067","0.002","89.834","0.002","72.77","0.001","1968.03","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H86 N2 O4 -","- C104 H86 N2 O4 -","- C104 H86 N2 O4 -","1","0.5","","Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh","Enhanced intersystem crossing in core-twisted aromatics","Chem. Sci.","2017","8","3","1776","","10.1039/C6SC05126J","","","0.71073","MoKα","","0.1469","0.0694","","","0.1717","0.2099","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544826","6.3989","0.00008","11.27072","0.00015","19.0731","0.0003","90","","92.0107","0.0013","90","","1374.71","0.03","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Kim, Jungwon; Hong, Soon Hyeok","Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones.","Chemical science","2017","8","3","2401","2406","10.1039/c6sc05266e","","x-ray","1.54184","CuKα","","0.0441","0.0411","","","0.1095","0.1128","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544843","9.359","0.0008","10.6693","0.0009","27.872","0.002","90","","93.525","0.007","90","","2777.9","0.4","281.4","","281.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N4 O -","- C35 H28 N4 O -","- C140 H112 N16 O4 -","4","1","","Gao, Meng; Su, Huifang; Lin, Yuhan; Ling, Xia; Li, Shiwu; Qin, Anjun; Tang, Ben Zhong","Photoactivatable aggregation-induced emission probes for lipid droplets-specific live cell imaging","Chem. Sci.","2017","8","3","1763","","10.1039/C6SC04842K","","","0.71073","MoKα","","0.0981","0.0525","","","0.1115","0.1375","","","","","","1.027","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1544851","6.241","0.0004","27.3263","0.0016","6.9456","0.0004","90","","99.4148","0.0019","90","","1168.57","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O10 -","- C24 H28 N2 O10 -","- C48 H56 N4 O20 -","2","0.5","","Sui, Qi; Ren, Xiang-Ting; Dai, Yu-Xiang; Wang, Kai; Li, Wen-Tao; Gong, Teng; Fang, Jia-Jia; Zou, Bo; Gao, En-Qing; Wang, Lin","Piezochromism and hydrochromism through electron transfer: new stories for viologen materials","Chem. Sci.","2017","8","4","2758","","10.1039/C6SC04579K","","","0.71073","MoKα","","0.0656","0.0442","","","0.1079","0.1193","","","","","","1.04","","","","has coordinates,has disorder","195009","2020-10-21","18:00:00",""
"1544903","9.1556","0.0003","9.1556","0.0003","66.051","0.004","90","","90","","90","","5536.7","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C29 H31 N3 O3 Pd -","- C29 H31 N3 O3 Pd -","- C232 H248 N24 O24 Pd8 -","8","1","","Huang, Yingda; He, Jianyun; Liu, Zhanxiong; Cai, Guilong; Zhang, Shaowen; Li, Xiaofang","A highly active chiral (S,S)-bis(oxazoline) Pd(ii) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water","Polym. Chem.","2017","8","7","1217","","10.1039/C6PY01859A","","","0.71073","MoKα","","0.0534","0.0492","","","0.1172","0.1193","","","","","","1.176","","","","has coordinates","193920","2020-10-21","18:00:00",""
"1544969","21.9093","0.0007","15.8193","0.0003","19.1282","0.0012","90","","130.884","0.002","90","","5012.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 F12 N10 O7 P2 Ru -","- C42 H50 F12 N10 O7 P2 Ru -","- C168 H200 F48 N40 O28 P8 Ru4 -","4","0.5","","Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J.","Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity.","Chemical science","2017","8","1","395","404","10.1039/c6sc03028a","","","1.54184","CuKα","","0.0854","0.0787","","","0.2222","0.2336","","","","","","1.058","","","","has coordinates,has disorder","196322","2020-10-21","18:00:00",""
"1544982","18.0886","0.0005","25.2724","0.001","26.1157","0.001","62.983","0.004","89.953","0.003","89.655","0.003","10635.5","0.8","100","1.7","100","1.7","","","","","","","","5","P -1","-P 1","2","","Ga[OSi(OtBu)3]3(thf)","","- C40 H89 Ga O13 Si3 -","- C40 H89 Ga O13 Si3 -","- C320 H712 Ga8 O104 Si24 -","8","4","","Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe","Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts","Chem. Sci.","2017","8","4","2661","","10.1039/C6SC05178B","","","0.71073","MoKα","","0.1188","0.0741","","","0.1174","0.1374","","","","","","1.02","","","","has coordinates","194992","2020-10-21","18:00:00",""
"1544983","14.003","0.0003","8.7535","0.0002","16.9635","0.0003","90","","93.969","0.001","90","","2074.32","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","- C68 H60 Cu8 I8 N12 S8 -","2","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0186","0.0168","","","0.0415","0.0422","","","","","","1.036","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544984","8.811","0.0001","10.0997","0.0001","12.544","0.0002","101.523","0.001","102.995","0.001","104.283","0.001","1014.82","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","- C34 H30 Cu4 I4 N6 S4 -","1","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0184","0.0171","","","0.0438","0.0445","","","","","","1.14","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544985","28.265","0.0008","16.1159","0.0005","10.1658","0.0003","90","","109.463","0.001","90","","4366.1","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 Cl2 Cu4 I4 N6 S4 -","- C35 H32 Cl2 Cu4 I4 N6 S4 -","- C140 H128 Cl8 Cu16 I16 N24 S16 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0336","0.0306","","","0.0774","0.0801","","","","","","1.047","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544986","25.9718","0.0006","10.2757","0.0002","17.5936","0.0004","90","","90.94","0.001","90","","4694.72","0.18","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl4 Cu4 I4 N6 S4 -","- C36 H34 Cl4 Cu4 I4 N6 S4 -","- C144 H136 Cl16 Cu16 I16 N24 S16 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0508","0.0464","","","0.1163","0.1194","","","","","","1.101","","","","has coordinates,has disorder","195004","2020-10-21","18:00:00",""
"1544987","17.889","0.0001","12.2339","0.0001","20.7705","0.0003","90","","101.703","0.001","90","","4451.18","0.08","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cu N5 O6 S2 -","- C17 H15 Cu N5 O6 S2 -","- C136 H120 Cu8 N40 O48 S16 -","8","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.028","0.0251","","","0.0645","0.0655","","","","","","1.071","","","","has coordinates","195004","2020-10-21","18:00:00",""
"1544988","10.1355","0.0002","8.3969","0.0002","21.0712","0.0004","90","","95.58","0.001","90","","1784.8","0.06","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu2 I2 N6 S4 -","- C34 H30 Cu2 I2 N6 S4 -","- C68 H60 Cu4 I4 N12 S8 -","2","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.108","0.0904","","","0.1791","0.192","","","","","","1.054","","","","has coordinates,has disorder","195004","2020-10-21","18:00:00",""
"1544989","10.5537","0.0005","9.2526","0.0004","16.335","0.0008","90","","107.345","0.003","90","","1522.57","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 S2 -","- C17 H15 N3 S2 -","- C68 H60 N12 S8 -","4","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation","Chem. Sci.","2017","8","4","2592","","10.1039/C6SC05341F","","","0.71073","MoKα","","0.0864","0.0506","","","0.0822","0.0919","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544991","11.2567","0.0007","11.6409","0.0007","27.0758","0.0016","90","","90","","90","","3548","0.4","298","2","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H17 F3 O2 S2 -","- C18 H17 F3 O2 S2 -","- C144 H136 F24 O16 S16 -","8","2","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71073","MoKα","","0.1464","0.0902","","","0.1256","0.1446","","","","","","1.058","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1544992","5.6786","0.0006","8.4547","0.0009","15.2755","0.0016","95.353","0.008","96.231","0.008","102.129","0.008","707.68","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 F3 O2 S2 -","- C12 H13 F3 O2 S2 -","- C24 H26 F6 O4 S4 -","2","1","","Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu","Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes","Chem. Sci.","2017","8","4","2610","","10.1039/C6SC05093J","","","0.71","MoKα","","0.1544","0.0978","","","0.2709","0.3262","","","","","","1.037","","","","has coordinates,has disorder","194993","2020-10-21","18:00:00",""
"1545006","50.8135","0.0018","29.3497","0.0008","49.1614","0.0016","90","","110.274","0.004","90","","68775","4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C252 H330 Ag28 P4 Pt S18 -","- C252 H330 Ag28 P4 Pt S18 -","- C2016 H2640 Ag224 P32 Pt8 S144 -","8","1","","Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao","The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster","Chem. Sci.","2017","8","4","2581","","10.1039/C6SC05104A","","","1.54178","CuKα","","0.0432","0.0333","","","0.0845","0.0867","","","","","","1.048","","","","has coordinates","194995","2020-10-21","18:00:00",""
"1545025","30.0933","0.0006","8.439","0.00015","26.6268","0.0005","90","","95.566","0.0007","90","","6730.2","0.2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,11-di(10H-phenothiazin-10-yl)dibenzo[a,j]phenazine","","- C45 H26 Cl N4 S2 -","- C45 H26 Cl N4 S2 -","- C360 H208 Cl8 N32 S16 -","8","1","","Okazaki, Masato; Takeda, Youhei; Data, Przemyslaw; Pander, Piotr; Higginbotham, Heather; Monkman, Andrew P.; Minakata, Satoshi","Thermally activated delayed fluorescent phenothiazine–dibenzo[a,j]phenazine–phenothiazine triads exhibiting tricolor-changing mechanochromic luminescence","Chem. Sci.","2017","8","4","2677","","10.1039/C6SC04863C","","","1.54187","CuKα","","","0.1215","","","","0.4004","","","","","","1.473","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545026","5.81321","0.00019","7.5432","0.0003","10.2777","0.0003","90","","93.249","0.003","90","","449.95","0.03","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-di(thiophen-2-yl)ethene","","- C10 H8 S2 -","- C10 H8 S2 -","- C20 H16 S4 -","2","0.5","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","0.71073","MoKα","","0.0409","0.0368","","","0.0901","0.093","","","","","","1.005","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545027","10.91901","0.00014","8.76755","0.00011","15.8755","0.0002","90","","93.1272","0.0011","90","","1517.55","0.03","100.1","0.5","100.1","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,5-bis(thiophene-2-yl)thieno[3,2-e]benzo[b]thiophene","","- C18 H10 S4 -","- C18 H10 S4 -","- C72 H40 S16 -","4","1","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","1.54184","CuKα","","0.0274","0.0261","","","0.0652","0.0661","","","","","","1.002","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545028","9.316","0.0002","9.10329","0.00018","9.6346","0.0002","90","","110.853","0.003","90","","763.55","0.03","100","0.4","100","0.4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrathienylethene, TTE","1,1,2,2-tetra(thiophen-2-yl)ethene","","- C18 H12 S4 -","- C18 H12 S4 -","- C36 H24 S8 -","2","0.5","","Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong","Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene","Chem. Sci.","2017","8","4","2629","","10.1039/C6SC05192H","","x-ray","1.54184","CuKα","","0.026","0.025","","","0.0783","0.0798","","","","","","1.002","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545045","24.588","0.005","10.147","0.002","24.582","0.005","90","","92.11","0.03","90","","6129","2","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H23 Co F28 N4 O9 P3 Yb -","- C55 H23 Co F28 N4 O9 P3 Yb -","- C220 H92 Co4 F112 N16 O36 P12 Yb4 -","4","0.5","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0335","0.0286","","","0.0681","0.0719","","","","","","1.052","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545046","15.8901","0.0004","19.2041","0.0005","22.9477","0.0006","90","","90","","90","","7002.6","0.3","276.86","0.1","276.86","0.1","","","","","","","","9","C m c m","-C 2c 2","63","","","","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C57 H34 Cl5 Co F20 N4 O11 P3 Yb -","- C228 H136 Cl20 Co4 F80 N16 O44 P12 Yb4 -","4","0.25","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","","0.71073","MoKα","","0.0524","0.0501","","","0.1492","0.1512","","","","","","1.111","","","","has coordinates,has disorder","195015","2020-10-21","18:00:00",""
"1545047","12.2948","0.0003","14.0793","0.0003","16.6204","0.0004","72.8693","0.0019","73.873","0.002","77.72","0.002","2614.22","0.11","180.01","0.1","180.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C55 H25 Co D18 F8 N4 O9 P3 Yb -","- C55 H25 Co D18 F8 N4 O9 P3 Yb -","- C110 H50 Co2 D36 F16 N8 O18 P6 Yb2 -","2","1","","Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long","Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields","Chem. Sci.","2017","8","4","2702","","10.1039/C6SC05021B","","x-ray","0.71073","MoKα","","0.0885","0.0762","","","0.1875","0.1999","","","","","","1.034","","","","has coordinates","195015","2020-10-21","18:00:00",""
"1545050","10.6431","0.0011","41.576","0.004","13.8546","0.0015","90","","110.763","0.005","90","","5732.5","1","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 F24 N8 O4 P4 -","- C49 H42 F24 N8 O4 P4 -","- C196 H168 F96 N32 O16 P16 -","4","1","","Wang, Yuping; Sun, Junling; Liu, Zhichang; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Radically promoted formation of a molecular lasso","Chem. Sci.","2017","8","4","2562","","10.1039/C6SC05035B","","","0.71073","MoKα","","0.1417","0.0945","","","0.2626","0.3014","","","","","","1.023","","","","has coordinates,has disorder","195011","2020-10-21","18:00:00",""
"1545090","11.355","0.003","13.612","0.003","16.835","0.004","90","","90","","90","","2602.1","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","isopropyl ((R)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-yl)oxy)(phenoxy)phosphoryl)-D-alaninate","","- C22 H29 F N3 O9 P -","- C22 H29 F N3 O9 P -","- C88 H116 F4 N12 O36 P4 -","4","1","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0575","0.0435","","","0.1022","0.1095","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545091","5.2533","0.0002","12.0015","0.0005","16.3874","0.0007","74.879","0.002","84.088","0.002","80.148","0.002","980.85","0.07","100","2","100","2","","","","","","","","6","P 1","P 1","1","","isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-D-alaninate","","- C18 H17 F5 N O5 P -","- C18 H17 F5 N O5 P -","- C36 H34 F10 N2 O10 P2 -","2","2","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0368","0.0351","","","0.0865","0.0877","","","","","","0.989","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545092","19.2401","0.0006","7.48163","0.00017","19.9656","0.0006","90","","104.461","0.003","90","","2782.94","0.14","140","0.1","140","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0352","0.0327","","","0.0833","0.0852","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545093","10.9092","0.0006","12.5543","0.0004","15.2599","0.0009","86.71","0.004","83.989","0.005","89.249","0.004","2074.99","0.18","100","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C54 H51 Cl O2 Ru -","- C54 H51 Cl O2 Ru -","- C108 H102 Cl2 O4 Ru2 -","2","2","","Kossler, D.; Cramer, N.","Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions","Chem. Sci.","2017","8","3","1862","","10.1039/C6SC05092A","","x-ray","1.54184","CuKα","","0.0629","0.0535","","","0.1404","0.1545","","","","","","1.09","","","","has coordinates,has disorder","193750","2020-10-21","18:00:00",""
"1545094","12.7416","0.0003","15.3629","0.0004","22.5851","0.0006","90","","90","","90","","4420.99","0.19","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C184 H200 Br4 Cl8 N12 O8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0214","0.0205","","","0.0506","0.0511","","","","","","1.044","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1545095","7.6802","0.0004","15.4523","0.0007","18.383","0.0009","90","","90","","90","","2181.63","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Br2 N2 P2 Pd -","- C18 H28 Br2 N2 P2 Pd -","- C72 H112 Br8 N8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0263","0.0246","","","0.0556","0.057","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545096","23.434","0.0011","10.7208","0.0005","10.6091","0.0005","90","","95.3448","0.0014","90","","2653.7","0.2","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C25 H32 Br N3 O P2 Pd -","- C25 H32 Br N3 O P2 Pd -","- C100 H128 Br4 N12 O4 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0234","0.0229","","","0.0562","0.0566","","","","","","1.076","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545097","8.7715","0.0004","15.9157","0.0008","36.3389","0.0018","90","","90","","90","","5073.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O6 S2 -","- C26 H24 N2 O6 S2 -","- C208 H192 N16 O48 S16 -","8","2","","Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters","Chem. Sci.","2017","8","4","2811","","10.1039/C6SC05450A","","","0.71073","MoKα","","0.0542","0.042","","","0.0976","0.1043","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545143","5.8387","0.0001","15.6232","0.0003","25.7309","0.0006","90","","90","","90","","2347.15","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 O2 -","- C31 H28 O2 -","- C124 H112 O8 -","4","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0445","0.0395","","","0.0904","0.0928","","","","","","0.99","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545144","12.8937","0.0002","6.0514","0.0001","14.068","0.0002","90","","107.517","0.001","90","","1046.75","0.03","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C52 H52 O6 -","2","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0383","0.0379","","","0.0942","0.0948","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545162","9.302","0.0002","9.7698","0.0002","16.9249","0.0004","84.505","0.001","86.765","0.001","71.597","0.001","1452.19","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","- C53 H90 N10 O11 -","1","1","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.54178","CuKα","","0.0513","0.0503","","","0.1414","0.1423","","","","","","1.289","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545163","13.6336","0.0003","14.6369","0.0003","33.2755","0.0007","90","","89.215","0.002","90","","6639.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H93 N11 O11 -","- C55 H93 N11 O11 -","- C220 H372 N44 O44 -","4","2","","Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro; Clayden, Jonathan","A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal.","Chemical science","2017","8","4","3007","3018","10.1039/c6sc05474a","","","1.5418","CuKα","","0.1879","0.1544","","","0.3885","0.4276","","","","","","1.383","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545166","9.9986","0.0015","18.897","0.003","12.05","0.0019","90","","91.502","0.006","90","","2276","0.6","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H57 F7 N3 O12 P -","- C41 H57 F7 N3 O12 P -","- C82 H114 F14 N6 O24 P2 -","2","1","","Saito, Fumito; Bode, Jeffrey W.","Synthesis and stabilities of peptide-based [1]rotaxanes: molecular grafting onto lasso peptide scaffolds","Chem. Sci.","2017","8","4","2878","","10.1039/C7SC00021A","","x-ray","0.71073","MoKα","","0.0486","0.0366","","","0.0686","0.0732","","","","","","1.013","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545167","14.144","0.003","12.445","0.003","14.545","0.003","90","","91.32","0.03","90","","2559.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22.5 N6 O6.25 -","- C25 H22.5 N6 O6.25 -","- C100 H90 N24 O25 -","4","1","","Li, Wenfang; Zhang, Chenyang; Qi, Shuaiwei; Deng, Xiaoli; Wang, Wei; Yang, Bing; Liu, Junqiu; Dong, Zeyuan","A folding-directed catalytic microenvironment in helical dynamic covalent polymers formed by spontaneous configuration control","Polym. Chem.","2017","8","8","1294","","10.1039/C6PY02200F","","","0.71073","MoKα","","0.1561","0.0728","","","0.2281","0.2663","","","","","","0.817","","","","has coordinates","193919","2020-10-21","18:00:00",""
"1545174","13.0121","0.001","5.2339","0.0004","19.82","0.0016","90","","90","","90","","1349.82","0.18","142","2","142","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 B Cl O3 -","- C15 H12 B Cl O3 -","- C60 H48 B4 Cl4 O12 -","4","1","","Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta","Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids.","Chemical science","2017","8","4","3026","3030","10.1039/c6sc04522g","","","0.71073","MoKα","","0.0551","0.0394","","","0.1151","0.1266","","","","","","0.969","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545175","9.16074","0.00006","6.01447","0.00004","10.6243","0.0001","90","","92.073","0.001","90","","584.984","0.008","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","(2S,3R,3aR,7aS)-5-Oxo-2-phenylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0714","0.0716","","","","","","1.073","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545176","5.5604","0.0001","6.6895","0.0001","33.0826","0.0005","90","","90","","90","","1230.55","0.03","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2R,3S,3aR,7aS)-5-Oxo-2-pentylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.0702","0.0711","","","","","","1.088","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545177","8.9615","0.00009","10.02283","0.0001","17.71277","0.00019","90","","90","","90","","1590.95","0.03","100.01","0.1","100.15","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aS,7aR)-3-(1,3-dioxolan-2-yl)-2-phenyltetrahydro-4H,6H-spiro[furo[2,3-b]pyran-5,2'-[1,3]dioxolane]","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","","1.54184","CuKα","","0.0255","0.0246","","","0.0631","0.0638","","","","","","1.0626","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545178","6.8159","0.0003","9.972","0.0005","17.7839","0.0008","90","","98.748","0.002","90","","1194.68","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0312","0.0307","","","0.0865","0.0868","","","","","","1.109","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545179","15.3538","0.0006","4.3958","0.0002","17.1443","0.0006","90","","112.351","0.001","90","","1070.18","0.07","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Br N5 O S -","- C8 H8 Br N5 O S -","- C32 H32 Br4 N20 O4 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0227","0.0218","","","0.0555","0.0562","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545180","8.0883","0.0002","10.9716","0.0003","16.0771","0.0004","72.07","0.001","80.273","0.001","86.279","0.002","1337.78","0.06","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H15.5 N4 O6.75 S -","- C10 H15.5 N4 O6.75 S -","- C40 H62 N16 O27 S4 -","4","4","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates.","Chemical science","2017","8","4","2983","2993","10.1039/c6sc05354h","","x-ray","1.54178","CuKα","","0.0311","0.0286","","","0.0758","0.0773","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545181","8.598","0.0001","8.598","0.0001","10.5541","0.0002","90","","90","","90","","780.22","0.02","293","2","200","2","","","","","","","","3","I -4 2 m","I -4 2","121","","","","- C2.5 H2.5 Np0.12 -","- C2.5 H2.5 Np0.125 -","- C40 H40 Np2 -","16","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0083","0.0083","","","0.0187","0.0187","","","","","","1.116","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545182","22.6093","0.001","14.7125","0.001","9.0155","0.0005","90","","90.415","0.001","90","","2998.8","0.3","100","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H35 K1.5 Np1.5 O0.5 -","- C32 H30 K1.5 Np1.5 O0.5 -","- C128 H120 K6 Np6 O2 -","4","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0399","0.033","","","0.0753","0.0783","","","","","","1.062","","","","has coordinates,has disorder","195014","2020-10-21","18:00:00",""
"1545183","14.1208","0.0006","8.7037","0.0006","9.5917","0.0005","90","","90","","90","","1178.85","0.11","100","2","173","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C15 H15 Np -","- C15 H15 Np -","- C60 H60 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0145","0.0141","","","0.0355","0.0359","","","","","","1.033","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545184","13.6966","0.0015","8.3864","0.0009","14.6562","0.0016","90","","90","","90","","1683.5","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H21 N2 Np -","- C19 H21 N2 Np -","- C76 H84 N8 Np4 -","4","0.5","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0562","0.0237","","","0.0374","0.0431","","","","","","1.053","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545185","8.298","0.0006","22.1664","0.0017","28.917","0.002","90","","90","","90","","5318.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Np Si3 -","- C24 H39 Np Si3 -","- C192 H312 Np8 Si24 -","8","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0866","0.0393","","","0.049","0.0567","","","","","","1.027","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545242","15.3026","0.0006","12.0184","0.0004","10.1214","0.0004","90","","90.552","0.003","90","","1861.37","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-bromophenyl)-2-fluoro-N-phenylchromane-5-carboxamide","","- C22 H17 Br F N O2 -","- C22 H17 Br F N O2 -","- C88 H68 Br4 F4 N4 O8 -","4","1","","Thornbury, Richard T.; Saini, Vaneet; Fernandes, Talita de A; Santiago, Celine B.; Talbot, Eric P. A.; Sigman, Matthew S.; McKenna, Jeffrey M.; Toste, F. Dean","The development and mechanistic investigation of a palladium-catalyzed 1,3-arylfluorination of chromenes.","Chemical science","2017","8","4","2890","2897","10.1039/c6sc05102b","","","1.54178","CuKα","","0.0447","0.0372","","","0.0915","0.0963","","","","","","1.038","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545255","10.4852","0.001","10.4852","0.001","23.308","0.003","90","","90","","120","","2219.2","0.4","240","0.14","240","0.14","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 B2 F8 Fe N24 -","- C30 H30 B2 F7.99 Fe N24 -","- C60 H60 B4 F15.98 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","","x-ray","0.71073","MoKα","","0.2252","0.1085","","","0.2302","0.3038","","","","","","1.055","","","","has coordinates,has disorder","194998","2020-10-21","18:00:00",""
"1545256","10.369","0.0005","10.369","0.0005","22.9628","0.0015","90","","90","","120","","2138.1","0.2","120","2","120.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 B2 F8 Fe N24 -","- C30 H30 B2 F8 Fe N24 -","- C60 H60 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","","","0.71073","MoKα","","0.1389","0.109","","","0.2739","0.2978","","","","","","1.08","","","","has coordinates,has disorder","194998","2020-10-21","18:00:00",""
"1545257","10.55931","0.00006","10.55931","0.00006","23.6672","0.0002","90","","90","","120","","2285.33","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.12 H30 Cl2 Fe N24 O10.24 -","- C31.1232 H30 Cl2 Fe N24 O10.2464 -","- C62.2464 H60 Cl4 Fe2 N48 O20.4928 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","2.183","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545258","10.52034","0.00006","10.52034","0.00006","23.5917","0.0003","90","","90","","120","","2261.25","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.63 H33.26 Cl2 Fe N24 O8 -","- C31.6356 H33.2712 Cl2 Fe N24 O8 -","- C63.2712 H66.5424 Cl4 Fe2 N48 O16 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","1.919","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545259","10.5426","0.0002","10.5426","0.0002","23.6588","0.0005","90","","90","","120","","2277.29","0.08","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30.78 H33.12 Cl2 Fe N24 O8 -","- C30.78 H33.12 Cl2 Fe N24 O8 -","- C61.56 H66.24 Cl4 Fe2 N48 O16 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","1.285","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545260","10.57127","0.0001","10.57127","0.0001","23.4813","0.00037","90","","90","","120","","2272.52","0.05","298","","298","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C31.044 H30 B2 F8 Fe N24 O2.088 -","- C31.044 H30 B2 F8 Fe N24 O2.088 -","- C62.088 H60 B4 F16 Fe2 N48 O4.176 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.271","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545261","10.57281","0.000077","10.57281","0.000077","23.49996","0.00033","90","","90","","120","","2274.99","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C31.8 H33.6 B2 F8 Fe N24 -","- C31.7976 H33.5952 B2 F8 Fe N24 -","- C63.5952 H67.1904 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.738","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545262","10.5681","0.00007","10.5681","0.00007","23.4989","0.0003","90","","90","","120","","2272.86","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30.84 H33.36 B2 F8 Fe N24 -","- C30.84 H33.36 B2 F8 Fe N24 -","- C61.68 H66.72 B4 F16 Fe2 N48 -","2","0.166667","","Giménez-Marqués, Mónica; Calvo Galve, Néstor; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Sastre, Germán; Vitórica-Yrezábal, Iñigo J.; Jiménez-Ruiz, Mónica; Rodríguez-Velamazán, J. Alberto; González, Miguel A.; Jordá, José L.; Coronado, Eugenio; Espallargas, Guillermo Mínguez","Gas confinement in compartmentalized coordination polymers for highly selective sorption","Chem. Sci.","2017","8","4","3109","","10.1039/C6SC05122G","powder diffraction","","0.799933","","","","","","","","","","","3.442","","","","","","","has coordinates","213921","2020-10-21","18:00:00",""
"1545263","18.258","0.003","11.064","0.0009","14.334","0.0013","90","","101.816","0.005","90","","2834.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 Co N4 O9 -","- C24 H26 Cl2 Co N4 O9 -","- C96 H104 Cl8 Co4 N16 O36 -","4","1","","Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.","Reversible solvatomagnetic switching in a single-ion magnet from an entatic state","Chem. Sci.","2017","8","5","3694","","10.1039/C6SC05188J","","x-ray","0.71073","MoKα","","0.1511","0.0786","","","0.168","0.2024","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545264","18.0546","0.0011","11.9616","0.0007","13.4228","0.0007","90","","105.413","0.003","90","","2794.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl2 Co N4 O8 -","- C24 H24 Cl2 Co N4 O8 -","- C96 H96 Cl8 Co4 N16 O32 -","4","1","","Vallejo, J.; Pardo, E.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.; Cano, J.","Reversible solvatomagnetic switching in a single-ion magnet from an entatic state","Chem. Sci.","2017","8","5","3694","","10.1039/C6SC05188J","","","0.71073","MoKα","","0.1351","0.0805","","","0.2239","0.265","","","","","","0.972","","","","has coordinates","196336","2020-10-21","18:00:00",""
"1545265","9.728","0.0012","18.602","0.002","21.538","0.003","90","","95.419","0.002","90","","3880.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ClOlumboleRuthenocene","","- C38 H55 Cl Pb Ru Si2 -","- C38 H55 Cl Pb Ru Si2 -","- C152 H220 Cl4 Pb4 Ru4 Si8 -","4","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0699","0.0361","","","0.0603","0.0671","","","","","","1.023","","","","has coordinates","195005","2020-10-21","18:00:00",""
"1545266","10.393","0.0005","22.3163","0.001","39.5129","0.0017","90","","90","","90","","9164.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","IodoPlumboleRuthenocene","","- C44 H69 I Pb Ru Si2 -","- C44 H69 I Pb Ru Si2 -","- C352 H552 I8 Pb8 Ru8 Si16 -","8","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.069","0.0471","","","0.0918","0.0987","","","","","","1.077","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545267","16.7796","0.0015","11.2019","0.0011","21.597","0.002","90","","98.91","0.001","90","","4010.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.55 H59.95 Cl0.15 Pb Ru Si2 -","- C40.55 H59.95 Cl0.15 Pb Ru Si2 -","- C162.2 H239.8 Cl0.6 Pb4 Ru4 Si8 -","4","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0289","0.023","","","0.0499","0.0518","","","","","","1.025","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545268","12.7785","0.0007","14.3628","0.0008","15.1226","0.0009","97.836","0.001","96.992","0.001","93.261","0.001","2721.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Anionic PlumboleRuthenocene","","- C54 H87 Li O4 Pb Ru Si2 -","- C54 H87 Li O4 Pb Ru Si2 -","- C108 H174 Li2 O8 Pb2 Ru2 Si4 -","2","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.0467","0.038","","","0.0831","0.0872","","","","","","1.005","","","","has coordinates","195005","2020-10-21","18:00:00",""
"1545270","6.4419","0.0001","14.7348","0.0002","10.7176","0.0001","90","","106.31","0.001","90","","976.38","0.02","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O7 S -","- C18 H22 N2 O7 S -","- C36 H44 N4 O14 S2 -","2","1","","Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine","CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation","Polym. Chem.","2017","8","10","1714","","10.1039/C7PY00118E","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.0736","0.0742","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545271","7.0627","0.0002","9.6573","0.0004","10.032","0.0003","90","","110.448","0.004","90","","641.13","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O6 -","- C12 H14 N2 O6 -","- C24 H28 N4 O12 -","2","1","","Gregory, Georgina L.; Hierons, Elizabeth M.; Kociok-Köhn, Gabriele; Sharma, Ram I.; Buchard, Antoine","CO2-Driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation","Polym. Chem.","2017","8","10","1714","","10.1039/C7PY00118E","","x-ray","1.54184","CuKα","","0.033","0.0314","","","0.0779","0.0792","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545280","22.851","0.007","9.929","0.003","16.292","0.008","90","","131.487","0.002","90","","2769","1.8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PNPRh(C2F4)","PNPRh(C2F4)","","- C28 H40 F4 N P2 Rh -","- C28 H40 F4 N P2 Rh -","- C112 H160 F16 N4 P8 Rh4 -","4","0.5","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0327","0.0293","","","0.0836","0.0862","","","","","","1.045","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545281","16.693","0.006","16.565","0.006","9.888","0.004","90","","90","","90","","2734.2","1.8","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","none(PNP)Rh=CF2","(PNP)Rh=CF2","","- C27 H40 F2 N P2 Rh -","- C27 H40 F2 N P2 Rh -","- C108 H160 F8 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.053","0.0357","","","0.0751","0.0828","","","","","","1.062","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545282","20.427","0.005","19.756","0.005","11.606","0.003","90","","90","","90","","4684","2","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","[(PNP)RhCF][CHB11Cl11]","[(PNP)RhCF][CHB11Cl11]","","- C28 H41 B11 Cl11 F N P2 Rh -","- C28 H41 B11 Cl11 F N P2 Rh -","- C112 H164 B44 Cl44 F4 N4 P8 Rh4 -","4","1","","Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.","Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh","Chem. Sci.","2017","8","4","3178","","10.1039/C6SC05391B","","","0.71073","MoKα","","0.0683","0.059","","","0.1451","0.1511","","","","","","1.075","","","","has coordinates","195007","2020-10-21","18:00:00",""
"1545283","28.835","0.008","6.5931","0.0018","9.909","0.003","90","","105.373","0.006","90","","1816.4","0.9","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O11 -","- C15 H18 O11 -","- C60 H72 O44 -","4","1","","Su, Lu; Khan, Sarosh; Fan, Jingwei; Lin, Yen-Nan; Wang, Hai; Gustafson, Tiffany P.; Zhang, Fuwu; Wooley, Karen L.","Functional sugar-based polymers and nanostructures comprised of degradable poly(d-glucose carbonate)s","Polym. Chem.","2017","8","10","1699","","10.1039/C6PY01978A","","","0.71073","MoKα","","0.0608","0.0524","","","0.1502","0.1586","","","","","","1.068","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545287","12.2247","0.0006","12.3904","0.0005","15.0274","0.0007","106.67","0.004","96.765","0.004","118.889","0.003","1817.8","0.18","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H94 Cl4 Cu4 N10 O24 -","- C56 H94 Cl4 Cu4 N10 O24 -","- C56 H94 Cl4 Cu4 N10 O24 -","1","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.049","0.0339","","","0.0758","0.0799","","","","","","0.953","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545288","10.9869","0.0006","18.6852","0.001","13.1285","0.0007","90","","108.876","0.004","90","","2550.2","0.2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H71 Cl2 Cu2 N5 O17 -","- C40 H71 Cl2 Cu2 N5 O17 -","- C80 H142 Cl4 Cu4 N10 O34 -","2","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0704","0.0566","","","0.1478","0.156","","","","","","1.074","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545289","16.6993","0.0005","15.6606","0.0005","17.7512","0.0006","90","","92.035","0.002","90","","4639.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Cl2 Cu2 N4 O17 -","- C36 H64 Cl2 Cu2 N4 O17 -","- C144 H256 Cl8 Cu8 N16 O68 -","4","1","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0993","0.0669","","","0.147","0.1623","","","","","","1.055","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545290","14.5909","0.0004","12.6902","0.0003","20.135","0.0006","90","","90","","90","","3728.23","0.17","133","2","133","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C34 H58 Cu2 N4 O8 -","- C34 H58 Cu2 N4 O8 -","- C136 H232 Cu8 N16 O32 -","4","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0462","0.0434","","","0.0924","0.0938","","","","","","1.192","","","","has coordinates,has disorder","196339","2020-10-21","18:00:00",""
"1545291","9.5488","0.0004","11.0676","0.0003","18.7942","0.0007","90","","101.996","0.003","90","","1942.84","0.12","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cu2 F6 N4 O12 S2 -","- C28 H46 Cu2 F6 N4 O12 S2 -","- C56 H92 Cu4 F12 N8 O24 S4 -","2","0.5","","Goswami, V. E.; Walli, A.; Förster, M; Dechert, S.; Demeshko, S.; Holthausen, M. C.; Meyer, F.","Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.","Chemical science","2017","8","4","3031","3037","10.1039/c6sc04820j","","","0.71073","MoKα","","0.0387","0.0321","","","0.08","0.0824","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545298","9.8667","0.0009","12.317","0.0011","17.626","0.0015","90","","100.785","0.001","90","","2104.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl2 Co N4 O P -","- C20 H17 Cl2 Co N4 O P -","- C80 H68 Cl8 Co4 N16 O4 P4 -","4","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.0312","0.0258","","","0.0662","0.0686","","","","","","1.084","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545299","7.881","0.002","8.61","0.002","10.582","0.003","101.612","0.003","110.925","0.002","103.559","0.002","619","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C23 H24 Cl2 Co N5 O2 P -","- C23 H24 Cl2 Co N5 O2 P -","- C23 H24 Cl2 Co N5 O2 P -","1","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.0315","0.0309","","","0.082","0.0822","","","","","","1.093","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545300","9.465","0.001","15.709","0.0016","16.2919","0.0016","90","","106.147","0.002","90","","2326.8","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cl4 Co2 N8 P2 S2 -","- C44 H42 Cl4 Co2 N8 P2 S2 -","- C88 H84 Cl8 Co4 N16 P4 S4 -","2","0.5","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.072","0.0412","","","0.0829","0.0931","","","","","","0.995","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545301","15.231","0.002","15.231","","20.271","0.003","90","","90","","90","","4702.5","0.9","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H52 Cl4 Co2 N8 O P2 -","- C48 H51 Cl4 Co2 N8 O P2 -","- C192 H204 Cl16 Co8 N32 O4 P8 -","4","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.057","0.045","","","0.111","0.1213","","","","","","1.033","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545338","8.6742","0.0003","8.6742","0.0003","25.3428","0.001","90","","90","","90","","1906.84","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Ce N O8 Pt2 S8 -","- C24 H44 Ce N O8 Pt2 S8 -","- C48 H88 Ce2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.03","0.0175","","","0.0321","0.0362","","","","","","1.115","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545339","8.5991","0.0003","8.5991","0.0003","25.4694","0.0009","90","","90","","90","","1883.32","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Ho N O8 Pt2 S8 -","- C24 H44 Ho N O8 Pt2 S8 -","- C48 H88 Ho2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0262","0.017","","","0.0284","0.0306","","","","","","1.1019","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545340","8.6867","0.0004","8.6867","0.0004","25.3813","0.0015","90","","90","","90","","1915.24","0.17","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 La N O8 Pt2 S8 -","- C24 H44 La N O8 Pt2 S8 -","- C48 H88 La2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0466","0.0287","","","0.0489","0.0537","","","","","","1.1112","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545341","8.5697","0.0003","8.5697","0.0003","25.5067","0.001","90","","90","","90","","1873.21","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Lu N O8 Pt2 S8 -","- C24 H44 Lu N O8 Pt2 S8 -","- C48 H88 Lu2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0243","0.0172","","","0.0365","0.0396","","","","","","1.1172","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545342","8.6502","0.0003","8.6502","0.0003","25.3992","0.0011","90","","90","","90","","1900.52","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N Nd O8 Pt2 S8 -","- C24 H44 N Nd O8 Pt2 S8 -","- C48 H88 N2 Nd2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0234","0.0166","","","0.0603","0.0671","","","","","","1.0324","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545343","8.6615","0.0004","8.6615","0.0004","25.413","0.0014","90","","90","","90","","1906.52","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pr Pt2 S8 -","- C24 H44 N O8 Pr Pt2 S8 -","- C48 H88 N2 O16 Pr2 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0231","0.015","","","0.0303","0.0329","","","","","","1.0796","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545344","8.6302","0.0003","8.6302","0.0003","25.4187","0.0009","90","","90","","90","","1893.19","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Sm -","- C24 H44 N O8 Pt2 S8 Sm -","- C48 H88 N2 O16 Pt4 S16 Sm2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0213","0.014","","","0.0292","0.0321","","","","","","1.0902","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545345","8.6098","0.0011","8.6098","0.0011","25.515","0.004","90","","90","","90","","1891.4","0.5","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Dy N O8 Pt2 S8 -","- C24 H44.0001 Dy N O8 Pt2 S8 -","- C48 H88.0002 Dy2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0283","0.0182","","","0.0374","0.0409","","","","","","1.0728","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545346","8.5844","0.0004","8.5844","0.0004","25.5043","0.0014","90","","90","","90","","1879.46","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Tm -","- C24 H44 N O8 Pt2 S8 Tm -","- C48 H88 N2 O16 Pt4 S16 Tm2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0325","0.0189","","","0.0336","0.0374","","","","","","1.0957","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545347","8.5854","0.0004","8.5854","0.0004","25.5257","0.0015","90","","90","","90","","1881.48","0.17","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Y -","- C24 H44 N O8 Pt2 S8 Y -","- C48 H88 N2 O16 Pt4 S16 Y2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0225","0.0143","","","0.0296","0.0327","","","","","","1.0591","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545348","8.5693","0.0004","8.5693","0.0004","25.5201","0.0014","90","","90","","90","","1874.02","0.16","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Yb -","- C24 H44 N O8 Pt2 S8 Yb -","- C48 H88 N2 O16 Pt4 S16 Yb2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0217","0.0145","","","0.0296","0.033","","","","","","1.0647","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545349","8.5857","0.0003","8.5857","0.0003","25.5107","0.0009","90","","90","","90","","1880.5","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Er N O8 Pt2 S8 -","- C24 H44 Er N O8 Pt2 S8 -","- C48 H88 Er2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0219","0.014","","","0.0295","0.0322","","","","","","1.0967","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545350","8.6049","0.0003","8.6049","0.0003","25.4824","0.0011","90","","90","","90","","1886.83","0.12","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pt2 S8 Tb -","- C24 H44 N O8 Pt2 S8 Tb -","- C48 H88 N2 O16 Pt4 S16 Tb2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0298","0.0177","","","0.0347","0.039","","","","","","1.0857","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545351","8.68","0.0004","8.68","0.0004","25.8359","0.0012","90","","90","","90","","1946.54","0.16","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pt2 S8 -","- C24 H44 Gd N O8 Pt2 S8 -","- C48 H88 Gd2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0316","0.021","","","0.0653","0.074","","","","","","1.0425","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545352","8.6134","0.0003","8.6134","0.0003","25.4434","0.0009","90","","90","","90","","1887.66","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pt2 S8 -","- C24 H44 Gd N O8 Pt2 S8 -","- C48 H88 Gd2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0215","0.0164","","","0.0522","0.0559","","","","","","1.0895","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545353","8.6247","0.0003","8.6247","0.0003","25.4329","0.0009","90","","90","","90","","1891.84","0.11","122","","122","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Eu N O8 Pt2 S8 -","- C24 H44 Eu N O8 Pt2 S8 -","- C48 H88 Eu2 N2 O16 Pt4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0232","0.0165","","","0.0339","0.0362","","","","","","1.1136","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545354","8.6832","0.0002","8.6832","0.0002","25.8856","0.0009","90","","90","","90","","1951.72","0.09","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 Gd N O8 Pd2 S8 -","- C24 H44 Gd N O8 Pd2 S8 -","- C48 H88 Gd2 N2 O16 Pd4 S16 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.048","0.0283","","","0.048","0.0533","","","","","","1.1018","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545355","8.6638","0.0003","8.6638","0.0003","25.8747","0.0009","90","","90","","90","","1942.19","0.12","295","","295","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C24 H44 N O8 Pd2 S8 Y -","- C24 H44 N O8 Pd2 S8 Y -","- C48 H88 N2 O16 Pd4 S16 Y2 -","2","0.125","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0378","0.0246","","","0.0467","0.0514","","","","","","1.0878","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545356","12.6485","0.0007","12.6485","0.0007","15.1509","0.0008","90","","90","","90","","2423.9","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Dy O8 P Pt2 S8 -","- C40 H44 Dy O8 P Pt2 S8 -","- C80 H88 Dy2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0478","0.0245","","","0.0357","0.0405","","","","","","1.007","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545357","12.6436","0.0005","12.6436","0.0005","15.1616","0.0007","90","","90","","90","","2423.74","0.18","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Y -","- C40 H44 O8 P Pt2 S8 Y -","- C80 H88 O16 P2 Pt4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0242","0.0176","","","0.0344","0.0363","","","","","","1.0376","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545358","12.8","0.002","12.8","0.002","15.345","0.003","90","","90","","90","","2514.1","0.7","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.037","0.0254","","","0.0581","0.064","","","","","","1.051","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545359","12.6459","0.0004","12.6459","0.0004","15.14","0.0005","90","","90","","90","","2421.17","0.13","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Ho O8 P Pt2 S8 -","- C40 H44 Ho O8 P Pt2 S8 -","- C80 H88 Ho2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.032","0.0201","","","0.0371","0.0403","","","","","","1.034","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545360","12.6486","0.0006","12.6486","0.0006","15.1552","0.001","90","","90","","90","","2424.6","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Tb -","- C40 H44 O8 P Pt2 S8 Tb -","- C80 H88 O16 P2 Pt4 S16 Tb2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.038","0.0224","","","0.0354","0.0388","","","","","","1.0491","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545361","12.6662","0.0005","12.6662","0.0005","15.1584","0.0006","90","","90","","90","","2431.9","0.17","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0248","0.0175","","","0.0351","0.0375","","","","","","1.0535","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545362","12.6367","0.0004","12.6367","0.0004","15.1479","0.0006","90","","90","","90","","2418.91","0.14","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Er O8 P Pt2 S8 -","- C40 H44 Er O8 P Pt2 S8 -","- C80 H88 Er2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0333","0.0207","","","0.0373","0.0407","","","","","","1.0381","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545363","12.8122","0.0007","12.8122","0.0007","15.3823","0.0007","90","","90","","90","","2525","0.2","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pd2 S8 -","- C40 H44 Gd O8 P Pd2 S8 -","- C80 H88 Gd2 O16 P2 Pd4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0577","0.0399","","","0.0915","0.1008","","","","","","1.0199","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545364","12.8004","0.0005","12.8004","0.0005","15.373","0.0006","90","","90","","90","","2518.87","0.17","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pd2 S8 Y -","- C40 H44 O8 P Pd2 S8 Y -","- C80 H88 O16 P2 Pd4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0667","0.049","","","0.1287","0.1424","","","","","","1.0281","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545365","9.17488","0.00014","19.0562","0.0003","30.0078","0.0006","90","","93.281","0.0017","90","","5237.91","0.16","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 B Mg N3 O3 -","- C55 H80 B Mg N3 O3 -","- C220 H320 B4 Mg4 N12 O12 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0623","0.0472","","","0.1163","0.1262","","","","","","1.017","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545366","11.59209","0.00014","26.2784","0.0003","12.80407","0.00016","90","","91.4753","0.0011","90","","3899.1","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Mg N3 O -","- C42 H59 Mg N3 O -","- C168 H236 Mg4 N12 O4 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0473","0.0367","","","0.0894","0.0952","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545367","13.48093","0.00017","14.64625","0.00015","18.8268","0.0002","90","","94.1686","0.0012","90","","3707.42","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H57 B Mg N2 O3 -","- C35 H53 B Mg N2 O3 -","- C140 H212 B4 Mg4 N8 O12 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","1.54184","CuKα","","0.0607","0.0482","","","0.123","0.1306","","","","","","1.024","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545368","11.549","0.0002","33.161","0.0006","13.3198","0.0002","90","","105.633","0.001","90","","4912.46","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 B2 N O5 -","- C22 H37 B2 N O5 -","- C176 H296 B16 N8 O40 -","8","2","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","","0.71073","MoKα","","0.0775","0.0498","","","0.1237","0.139","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545369","9.7577","0.0002","9.7577","0.0002","17.8748","0.0004","90","","90","","120","","1473.9","0.05","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C19 H30 B N O3 -","- C19 H30 B N O3 -","- C57 H90 B3 N3 O9 -","3","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","","1.54184","CuKα","","0.0433","0.0413","","","0.1037","0.1053","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545370","10.0273","0.0004","12.4499","0.0007","21.5324","0.0009","90","","90","","90","","2688.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 B2 N O5 -","- C25 H43 B2 N O5 -","- C100 H172 B8 N4 O20 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","0.71073","MoKα","","0.0879","0.0529","","","0.0897","0.101","","","","","","1.049","","","","has coordinates,has disorder","301779","2025-08-18","16:06:49",""
"1545478","26.9274","0.0003","5.87596","0.00008","29.0682","0.0004","90","","90.0555","0.0012","90","","4599.29","0.1","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H33 Cl2 N O3 S -","- C23 H33 Cl2 N O3 S -","- C184 H264 Cl16 N8 O24 S8 -","8","1","","Saint-Dizier, François; Simpkins, Nigel S.","First total synthesis of concavine","Chem. Sci.","2017","8","5","3384","","10.1039/C6SC05627J","","x-ray","1.54184","CuKα","","0.0791","0.0754","","","0.2209","0.2247","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:06:49",""
"1545511","10.2323","0.0006","13.2844","0.0007","16.9919","0.0009","100.164","0.003","104.521","0.002","95.151","0.002","2179","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H62 N6 Ti -","- C47 H62 N6 Ti -","- C94 H124 N12 Ti2 -","2","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0639","0.0444","","","0.1066","0.1178","","","","","","1.026","","","","has coordinates,has disorder","196330","2020-10-21","18:00:00",""
"1545512","18.3497","0.0006","10.3436","0.0003","25.5974","0.0008","90","","108.022","0.002","90","","4620.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 N4 P Ti -","- C46 H55 N4 P Ti -","- C184 H220 N16 P4 Ti4 -","4","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0672","0.0471","","","0.1205","0.134","","","","","","1.048","","","","has coordinates","196330","2020-10-21","18:00:00",""
"1545513","13.1179","0.0008","13.2082","0.0008","13.7748","0.0008","105.738","0.003","99.727","0.003","98.022","0.003","2220.5","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H62 N4 O Ti -","- C49 H62 N4 O Ti -","- C98 H124 N8 O2 Ti2 -","2","1","","Heins, Spencer P.; Wolczanski, Peter T.; Cundari, Thomas R.; MacMillan, Samantha N.","Redox non-innocence permits catalytic nitrene carbonylation by (dadi)TiNAd (Ad = adamantyl)","Chem. Sci.","2017","8","5","3410","","10.1039/C6SC05610E","","","0.71073","MoKα","","0.0532","0.0433","","","0.1131","0.1215","","","","","","1.041","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545515","8.4867","0.0002","11.5788","0.0002","16.5698","0.0004","90","","92.762","0.004","90","","1626.35","0.06","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 I2 -","- C16 H16 I2 -","- C64 H64 I8 -","4","2","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes – a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0357","0.0335","","","0.0767","0.0786","","","","","","1.07","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545516","11.4988","0.0003","15.9491","0.0003","8.2449","0.0002","90","","97.906","0.001","90","","1497.71","0.06","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 I2 -","- C16 H14 I2 -","- C64 H56 I8 -","4","1","","Janhsen, B.; Daniliuc, C. G.; Studer, A.","Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes – a tool for estimating π-conjugation in aromatic systems","Chem. Sci.","2017","8","5","3547","","10.1039/C7SC00100B","","","0.71073","MoKα","","0.0467","0.0383","","","0.0866","0.0932","","","","","","1.058","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545517","10.2417","0.0008","17.4702","0.0014","18.1698","0.0015","117.24","0.003","90.58","0.003","92.649","0.003","2885.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 N7 O7 S -","- C66 H62 N7 O7 S -","- C132 H124 N14 O14 S2 -","2","1","","Martinez-Cuezva, Alberto; Saura-Sanmartin, Adrian; Nicolas-Garcia, Tomas; Navarro, Cristian; Orenes, Raul-Angel; Alajarin, Mateo; Berna, Jose","Photoswitchable interlocked thiodiglycolamide as a cocatalyst of a chalcogeno-Baylis‒Hillman reaction","Chem. Sci.","2017","8","5","3775","","10.1039/C7SC00724H","","","1.54178","CuKα","","0.0497","0.0446","","","0.1443","0.1477","","","","","","1.175","","","","has coordinates,has disorder","196327","2020-10-21","18:00:00",""
"1545518","10.807","0.0002","27","0.0005","28.2406","0.0005","90","","90","","90","","8240.3","0.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 N2 O5 -","- C52 H54 N2 O5 -","- C416 H432 N16 O40 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1622","0.0734","","","0.1752","0.2217","","","","","","0.956","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545519","7.3568","0.0006","10.0126","0.0008","10.8607","0.0009","110.106","0.008","95.309","0.007","106.922","0.008","702.02","0.12","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cu F6 N10 O8 S2 -","- C20 H18 Cu F6 N10 O8 S2 -","- C20 H18 Cu F6 N10 O8 S2 -","1","0.5","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1099","0.0797","","","0.1724","0.1943","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545520","10.7343","0.0003","12.0336","0.0003","28.9712","0.0007","90","","90","","90","","3742.28","0.17","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Cl F3 N5 O2 -","- C19 H13 Cl F3 N5 O2 -","- C152 H104 Cl8 F24 N40 O16 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.0974","0.0745","","","0.1069","0.1159","","","","","","0.89","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545521","8.7557","0.0004","10.3822","0.0004","11.1677","0.0005","63.052","0.004","82.84","0.004","86.27","0.004","897.85","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C44 H40 O12 -","2","1","","Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger","Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units","Polym. Chem.","2017","8","14","2197","","10.1039/C7PY00129K","","x-ray","1.54184","CuKα","","0.0371","0.0356","","","0.0915","0.0927","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545522","10.191","0.0003","13.7072","0.0003","19.0724","0.0005","90.789","0.002","103.313","0.003","109.953","0.002","2424.55","0.12","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 N2 O6.5 -","- C25 H33 N2 O6.5 -","- C100 H132 N8 O26 -","4","2","","Cretenoud, Julien; Özen, Bilal; Schmaltz, Thomas; Görl, Daniel; Fabrizio, Alberto; Corminboeuf, Clémence; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Frauenrath, Holger","Synthesis and characterization of semiaromatic polyamides comprising benzofurobenzofuran repeating units","Polym. Chem.","2017","8","14","2197","","10.1039/C7PY00129K","","x-ray","1.54184","CuKα","","0.0496","0.0444","","","0.1265","0.1322","","","","","","1.036","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545527","13.7779","0.0004","14.7189","0.0004","21.2291","0.0006","90","","90","","90","","4305.2","0.2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 N2 Na O7 P3 -","- C40 H58 N2 Na O7 P3 -","- C160 H232 N8 Na4 O28 P12 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0649","0.0622","","","0.1736","0.1762","","","","","","1.055","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545528","14.0829","0.0009","20.6872","0.0019","15.9795","0.0014","90","","99.559","0.005","90","","4590.8","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B F15 N2 O P2 -","- C45 H38 B F15 N2 O P2 -","- C180 H152 B4 F60 N8 O4 P8 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.1148","0.0572","","","0.1234","0.1501","","","","","","0.983","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545529","12.9335","0.0012","20.866","0.0018","10.2861","0.0009","90","","90","","90","","2775.9","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H41 B N2 O P2 -","- C27.0002 H41 B1.0002 N2 O1.0002 P2 -","- C108.001 H164 B4.0008 N8 O4.0008 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0641","0.0597","","","0.1716","0.1764","","","","","","1.082","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545530","14.6157","0.0011","18.3339","0.0015","23.554","0.002","85.401","0.007","81.374","0.006","78.671","0.005","6110.2","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","10_polym","","- C218 H276 N4 Na2 O6 P6 -","- C218 H276 N4 Na2 O6 P6 -","- C218 H276 N4 Na2 O6 P6 -","1","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.1025","0.085","","","0.2248","0.2404","","","","","","1.02","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545531","21.5089","0.0011","17.8123","0.0009","9.2449","0.0005","90","","90","","90","","3541.9","0.3","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","AdamPPCO","","- C38 H53 N3 O P2 -","- C38 H53 N3 O P2 -","- C152 H212 N12 O4 P8 -","4","0.5","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","0.71073","MoKα","K-L~3~","0.0724","0.0483","","","0.1031","0.114","","","","","","1.059","","","","has coordinates","196324","2020-10-21","18:00:00",""
"1545532","27.6426","0.0013","11.7291","0.0006","24.5253","0.0012","90","","103.246","0.002","90","","7740.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H99 N5 Na2 O11 P6 -","- C70 H99 N5 Na2 O11 P6 -","- C280 H396 N20 Na8 O44 P24 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0409","0.0355","","","0.0924","0.0961","","","","","","1.029","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545533","7.472","0.0015","20.571","0.004","24.604","0.005","69.4","0.03","84.5","0.03","85.66","0.03","3520.1","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56.5 H55.25 N8 O17.25 -","- C56 H53.25 N8 O16.25 -","- C112 H106.5 N16 O32.5 -","2","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.77492","synchrotron","","0.163","0.13","","","0.3808","0.4082","","","","","","1.643","","","","has coordinates","196328","2020-10-21","18:00:00",""
"1545534","34.1155","0.0011","45.9981","0.0011","33.3135","0.0014","90","","109.407","0.004","90","","49307","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C172 H112 Ca2 N32 O111 S8 -","- C172 H112 Ca2 N32 O111 S8 -","- C1376 H896 Ca16 N256 O888 S64 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","1.54178","CuKα","","0.2003","0.1324","","","0.3635","0.4119","","","","","","1.48","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545535","28.255","0.004","51.842","0.007","30.331","0.004","90","","110.957","0.002","90","","41490","10","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C103 H97 N16 O38.5 -","- C99.25 H57.5 N16 O33.75 -","- C1588 H920 N256 O540 -","16","4","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","1.54178","CuKα","","0.2844","0.1773","","","0.4532","0.5229","","","","","","1.688","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545536","34.859","0.007","29.286","0.006","51.432","0.01","90","","90","","90","","52506","18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C1644 H1084 Ca50 N256 O660 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.8856","synchrotron","","0.1603","0.1568","","","0.5004","0.5118","","","","","","2.893","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545543","25.3774","0.0004","8.3627","0.0002","19.7264","0.0004","90","","116.32","0.001","90","","3752.41","0.14","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H50 Cl2 N2 O12 Pd3 -","- C29 H50 Cl2.0001 N2 O12 Pd3 -","- C116 H200 Cl8.0004 N8 O48 Pd12 -","4","0.5","","He, Chuan; Gaunt, Matthew J.","Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines","Chem. Sci.","2017","8","5","3586","","10.1039/C7SC00468K","","","0.71073","MoKα","","0.068","0.0503","","","0.1271","0.1375","","","","","","1.023","","","","has coordinates","196326","2020-10-21","18:00:00",""
"1545549","28.579","0.008","28.912","0.008","33.323","0.008","90","","90","","90","","27534","13","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H48 N8 S9 U2 -","- C61 H48 N8 S9 U2 -","- C732 H576 N96 S108 U24 -","12","3","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54187","CuKα","","0.1886","0.1684","","","0.4167","0.4471","","","","","","1.456","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545550","17.3745","0.0005","34.224","0.0008","17.013","0.0005","90","","112.037","0.003","90","","9377.3","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H112 N8 O2 S2 U2 -","- C100 H112 N8 O2 S2 U2 -","- C400 H448 N32 O8 S8 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0648","0.039","","","0.0916","0.1019","","","","","","0.804","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545551","15.9605","0.0003","16.6905","0.0003","18.0699","0.0004","67.132","0.002","86.551","0.002","82.45","0.002","4396.61","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H105 N8 O2 S U2 -","- C101 H105 N8 O2 S U2 -","- C202 H210 N16 O4 S2 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0771","0.0581","","","0.1282","0.1407","","","","","","1.049","","","","has coordinates","196334","2020-10-21","18:00:00",""
"1545552","29.6933","0.0004","29.9161","0.0004","10.8656","0.0001","90","","90","","90","","9652","0.2","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C106 H130 B K N8 O5 U2 -","- C106 H130 B K N8 O5 U2 -","- C424 H520 B4 K4 N32 O20 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54184","CuKα","","0.0626","0.047","","","0.1173","0.1305","","","","","","1.064","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1545553","15.5798","0.0008","33.7862","0.0017","20.7334","0.0012","90","","105.543","0.006","90","","10514.6","1","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H138 B N8 Na O6 U2 -","- C110 H138 B N8 Na O6 U2 -","- C440 H552 B4 N32 Na4 O24 U8 -","4","0.5","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","0.71073","MoKα","","0.0948","0.0586","","","0.0996","0.1078","","","","","","1.081","","","","has coordinates,has disorder","196334","2020-10-21","18:00:00",""
"1545580","7.5659","0.0001","9.9805","0.0002","10.2418","0.0002","90","","90","","90","","773.37","0.02","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","","Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose","Polym. Chem.","2017","8","13","2093","","10.1039/C7PY00236J","","x-ray","1.54184","CuKα","","0.0244","0.0241","","","0.0615","0.062","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545581","5.8577","0.0001","11.0062","0.0001","11.8828","0.0001","90","","90","","90","","766.096","0.016","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","","Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose","Polym. Chem.","2017","8","13","2093","","10.1039/C7PY00236J","","x-ray","1.54184","CuKα","","0.0239","0.0238","","","0.059","0.059","","","","","","1.108","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545595","10.8957","0.0014","13.0496","0.0016","13.9607","0.0017","101.403","0.002","109.481","0.002","104.921","0.002","1718.4","0.4","150","2","149.75","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 O3 P -","- C39 H50.988 O3 P -","- C78 H101.976 O6 P2 -","2","1","","Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario","Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers","Chem. Sci.","2017","8","5","3913","","10.1039/C7SC00589J","","","0.71073","MoKα","","0.0761","0.0542","","","0.1362","0.1506","","","","","","1.052","","","","has coordinates,has disorder","196329","2020-10-21","18:00:00",""
"1545596","10.2109","0.0013","18.659","0.002","35.308","0.004","90","","94.153","0.002","90","","6709.4","1.4","150","2","149.55","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 O3 P -","- C38.9645 H50.855 O3 P -","- C311.716 H406.84 O24 P8 -","8","2","","Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario","Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers","Chem. Sci.","2017","8","5","3913","","10.1039/C7SC00589J","","","0.71073","MoKα","","0.0787","0.0578","","","0.1415","0.1548","","","","","","1.022","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545619","19.3","0.008","14.581","0.007","24.167","0.01","90","","94.227","0.01","90","","6782","5","273","","273","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C112 H72 Br8 N16 Ni3 O16 -","- C112 H72 Br8 N16 Ni3 O16 -","- C224 H144 Br16 N32 Ni6 O32 -","2","0.5","","He, Xiaohui; Deng, Yingjiao; Jiang, Xiong; Wang, Zijie; Yang, Yingping; Han, Zhilong; Chen, Defu","Copolymerization of norbornene and butyl methacrylate at elevated temperatures by a single centre nickel catalyst bearing bulky bis(α-diimine) ligand with strong electron-withdrawing groups","Polym. Chem.","2017","8","15","2390","","10.1039/C7PY00081B","","","0.71073","MoKα","","0.1363","0.0876","","","0.2213","0.2518","","","","","","1.03","","","","has coordinates,has disorder","196526","2020-10-21","18:00:00",""
"1545631","12.2308","0.0002","12.6838","0.0002","13.0436","0.0009","83.137","0.006","68.061","0.005","70.096","0.005","1764.77","0.15","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0974","0.08","","","0.2156","0.2652","","","","","","1.21","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545632","12.4864","0.0012","12.4925","0.0012","13.6444","0.0012","65.751","0.009","82.594","0.007","69.191","0.009","1813.6","0.3","270","2","270","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","MoKα","","0.0701","0.048","","","0.1203","0.1397","","","","","","1","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545633","12.43","0.003","12.336","0.003","13.183","0.003","111.83","0.03","99.23","0.03","66.05","0.03","1714.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","Synchrotron","","0.0884","0.0578","","","0.1453","0.1616","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545634","12.4632","0.0003","12.6561","0.0003","13.365","0.0009","83.298","0.006","67.3","0.005","69.644","0.005","1823","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0965","0.0804","","","0.2206","0.2624","","","","","","1.152","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545635","12.0127","0.0013","12.6193","0.0013","13.2123","0.0014","110.546","0.004","92.31","0.004","111.271","0.002","1715.2","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H23 F3 Fe I2 N5 O5 S -","- C35 H23 F3 Fe I2 N5 O5 S -","- C70 H46 F6 Fe2 I4 N10 O10 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","MoKα","","0.0662","0.0539","","","0.1416","0.147","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545636","11.476","0.0012","13.0698","0.0016","13.4649","0.0016","71.342","0.011","87.437","0.009","68.674","0.011","1776.5","0.4","170","0.1","170","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.7107","MoKα","","0.0664","0.0433","","","0.0924","0.1101","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545637","11.5003","0.0002","13.1342","0.0003","13.5498","0.001","71.652","0.005","87.488","0.006","68.858","0.005","1806.23","0.17","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.0957","0.0841","","","0.2191","0.2653","","","","","","1.208","","","","has coordinates","196335","2020-10-21","18:00:00",""
"1545638","11.5289","0.0009","13.1814","0.0011","13.6233","0.0012","71.947","0.005","87.644","0.006","68.871","0.005","1830.2","0.3","292","2","292","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H26 F3 Fe I2 N4 O6 S -","- C35 H26 F3 Fe I2 N4 O6 S -","- C70 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.1089","0.0809","","","0.1889","0.2282","","","","","","1.114","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545639","12.232","0.002","12.547","0.003","13.279","0.003","81.89","0.03","67.04","0.03","68.25","0.03","1742.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 F3 Fe I2 N4 O6 S -","- C36 H28 F3 Fe I2 N4 O6 S -","- C72 H56 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","0.71073","synchrotron","","0.0537","0.05","","","0.1238","0.1305","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545640","10.3759","0.0004","12.8053","0.0005","13.8091","0.001","79.08","0.006","76.267","0.005","86.609","0.006","1749.85","0.17","137","2","137","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 F3 Fe I2 N4 O6 S -","- C36 H26 F3 Fe I2 N4 O6 S -","- C72 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.093","0.0829","","","0.2156","0.2451","","","","","","1.205","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545641","10.3585","0.0006","12.9759","0.0006","14.1074","0.0003","78.558","0.006","76.606","0.006","86.265","0.004","1807.59","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 F3 Fe I2 N4 O6 S -","- C36 H26 F3 Fe I2 N4 O6 S -","- C72 H52 F6 Fe2 I4 N8 O12 S2 -","2","1","","Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J.","Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis","Chem. Sci.","2017","8","5","3949","","10.1039/C6SC05317C","","","1.54178","CuKα","","0.1158","0.092","","","0.2474","0.3028","","","","","","1.151","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545658","17.1821","0.0002","6.16924","0.00007","17.8483","0.0002","90","","106.502","0.0015","90","","1814","0.04","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C17 H30 N O5 -","- C17 H30 N O5 -","- C68 H120 N4 O20 -","4","1","","Garmendia, Sofiem; Mantione, Daniele; Alonso-de Castro, Silvia; Jehanno, Coralie; Lezama, Luis; Hedrick, James L.; Mecerreyes, David; Salassa, Luca; Sardon, Haritz","Polyurethane based organic macromolecular contrast agents (PU-ORCAs) for magnetic resonance imaging","Polym. Chem.","2017","8","17","2693","","10.1039/C7PY00166E","","x-ray","1.54184","CuKα","","0.0362","0.0338","","","0.0858","0.0878","","","","","","1.028","","","","has coordinates","196525","2020-10-21","18:00:00",""
"1545678","9.8938","0.0009","13.3712","0.0012","15.521","0.0014","64.492","0.001","78.484","0.001","71.755","0.001","1755","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","[?5:Cs(diglyme)?6-K:?3-K(diglyme)(corannulene trianion)]","","- C32 H38 Cs K2 O6 -","- C32 H38 Cs K2 O6 -","- C64 H76 Cs2 K4 O12 -","2","1","","Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A.","Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts","Chem. Sci.","2017","8","4","3137","","10.1039/C6SC05370J","","","0.71073","MoKα","","0.0549","0.0497","","","0.1158","0.1204","","","","","","1.048","","","","has coordinates,has disorder","194904","2020-10-21","18:00:00",""
"1545918","5.49","","5.49","","13.387","","90","","90","","120","","349.429","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Bismuth Sodium Titanate","BNT","","- Bi0.5 Na0.5 O9 Ti -","- Bi0.5 Na0.5 O9 Ti -","- Bi3 Na3 O54 Ti6 -","6","0.333333","","Mahmood, Natheer B.; Al-Shakarchi, Emad K.","Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT","Journal of Modern Physics","2017","8","5","844","851","10.4236/jmp.2017.85053","","","","","","1","1","","","","","","","","","","","","","","has coordinates","201368","2020-10-21","18:00:00",""
"1545919","3.9071","","3.9071","","3.9571","","90","","90","","90","","60.407","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","Bi0.5K0.5TiO3","","BKT","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","- Bi0.5 K0.5 O3 Ti -","1","0.125","","Mahmood, Natheer B.; Al-Shakarchi, Emad K.","Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT","Journal of Modern Physics","2017","8","5","844","851","10.4236/jmp.2017.85053","","","","","","","","","","","","","","","","","","","","","has coordinates","201368","2020-10-21","18:00:00",""
"1545989","12.9848","0.001","19.382","0.0015","22.2953","0.0017","90","","99.8421","0.001","90","","5528.5","0.7","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H76 N2 O12 -","- C61 H76 N2 O12 -","- C244 H304 N8 O48 -","4","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.089","0.0561","","","0.131","0.149","","","","","","1.024","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1545990","17.819","0.003","17.457","0.003","34.337","0.005","90","","90","","90","","10681","3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C61 H71 N3 O10 -","- C61 H71 N3 O10 -","- C488 H568 N24 O80 -","8","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.1513","0.1148","","","0.2232","0.2406","","","","","","1.166","","","","has coordinates,has disorder","301779","2025-08-18","16:06:50",""
"1546842","28.9068","0.0004","7.9025","0.0001","8.9889","0.0001","90","","90","","90","","2053.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","1","","Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme","Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes","Chemical Science","2017","8","10","7112","7118","10.1039/C7SC03197A","","x-ray","1.54184","CuKα","","0.0243","0.0236","","","0.0639","0.0645","","","","","","1.059","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1547319","8.3072","0.0007","7.8052","0.001","25.7246","0.0027","90","","97.491","0.004","90","","1653.7","0.3","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","dG(C10)2","3',5'-bis-O-decanoyl-2'-deoxyguanosine","","- C30 H49 N5 O6 -","- C30 H49 N5 O6 -","- C60 H98 N10 O12 -","2","1","","Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris","Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif","Chemical Science","2017","8","","3971","3979","10.1039/c7sc00587c","powder diffraction","x-ray","1.5406","","","","","","","","","0.17052","","1.69","","","","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547320","17.934","0.008","36.37","0.02","13.179","0.008","90","","120.82","0.03","90","","7382","7","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C312 H264 Cu12 N48 O72 Se12 -","12","3","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.1294","0.0894","","","0.2069","0.2324","","","","","","1.2","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547321","17.86","0.03","12.16","0.03","13.17","0.03","90","","120.79","0.03","90","","2457","9","303","2","303","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C104 H88 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0953","0.0697","","","0.162","0.1735","","","","","","1.059","","","","has coordinates","201235","2020-10-21","18:00:00",""
"1547322","17.924","0.013","12.236","0.013","13.253","0.015","90","","120.69","0.03","90","","2500","4","353","2","353","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.73 H4 Cu0.18 N0.73 O1.09 Se0.18 -","- C4.72727 H4 Cu0.181818 N0.727273 O1.09091 Se0.181818 -","- C104 H88 Cu4 N16 O24 Se4 -","22","2.75","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0616","0.0492","","","0.1206","0.1281","","","","","","1.115","","","","has coordinates","201236","2020-10-21","18:00:00",""
"1547323","17.434","0.019","13.149","0.012","13.184","0.014","90","","123.634","0.01","90","","2516","4","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0458","0.0392","","","0.1007","0.1078","","","","","","1.101","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547324","17.58","0.019","13.218","0.013","13.269","0.015","90","","123.34","0.013","90","","2576","5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.058","0.0509","","","0.1251","0.1337","","","","","","1.067","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547326","17.515","0.02","13.237","0.012","13.262","0.015","90","","123.415","0.013","90","","2566","5","243","2","243","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0704","0.0536","","","0.1277","0.1438","","","","","","1.004","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547328","17.582","0.008","13.248","0.008","13.324","0.005","90","","123.38","0.04","90","","2592","2","333","2","333","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0455","0.0391","","","0.0908","0.0955","","","","","","1.046","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547329","17.723","0.009","12.711","0.006","13.471","0.007","90","","123.186","0.008","90","","2540","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.047","0.0433","","","0.0907","0.0936","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547330","17.794","0.008","12.662","0.008","13.644","0.011","90","","123.19","0.02","90","","2573","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0472","0.0411","","","0.0939","0.0969","","","","","","1.115","","","","has coordinates,has disorder","201244","2020-10-21","18:00:00",""
"1547331","17.551","0.018","13.247","0.011","13.266","0.013","90","","123.367","0.012","90","","2576","4","253","2","253","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0622","0.05","","","0.126","0.1377","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547332","17.551","0.006","13.239","0.006","13.305","0.005","90","","123.3","0.03","90","","2584","2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H16 Cu0.67 N2.67 O4 Se0.67 -","- C18 H16 Cu0.666667 N2.66667 O4 Se0.666667 -","- C108 H96 Cu4 N16 O24 Se4 -","6","1.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0554","0.0465","","","0.1181","0.1264","","","","","","1.025","","","","has coordinates,has disorder","201246","2020-10-21","18:00:00",""
"1547688","23.9163","0.0017","13.5859","0.001","26.106","0.002","90","","90","","90","","8482.5","1.1","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 F6 O13 P4 Zr2.69 -","- C25 H16 F6 O13 P4 Zr2.685 -","- C200 H128 F48 O104 P32 Zr21.48 -","8","1","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1266","0.0869","","","0.2454","0.2697","","","","","","1.042","","","","has coordinates,has disorder","202051","2020-10-21","18:00:00",""
"1547689","33.081","0.005","33.081","0.005","15.832","0.003","90","","90","","90","","17326","5","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H16 F8 O12 P4 Zr3 -","- C25 H16 F8 O12 P4 Zr3 -","- C200 H128 F64 O96 P32 Zr24 -","8","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0994","0.0674","","","0.2165","0.2456","","","","","","0.973","","","","has coordinates","202052","2020-10-21","18:00:00",""
"1547690","16.9609","0.0013","26.425","0.002","16.9629","0.0013","90","","117.718","0.002","90","","6730.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H48 F18 O24 P8 Zr7 -","- C68 H48 F18 O24 P8 Zr7 -","- C136 H96 F36 O48 P16 Zr14 -","2","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1317","0.1085","","","0.3076","0.3315","","","","","","1.053","","","","has coordinates","202053","2020-10-21","18:00:00",""
"1547691","24.905","0.003","24.905","0.003","7.5896","0.001","90","","90","","90","","4707.5","1","223","2","223","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C41 O14 P4 -","- C41 O16 P4 -","- C164 O64 P16 -","4","","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0989","0.0763","","","0.2121","0.2332","","","","","","1.059","","","","has coordinates,has disorder","202054","2020-10-21","18:00:00",""
"1547692","13.2646","0.0007","13.2646","0.0007","7.5238","0.0005","90","","90","","90","","1323.81","0.13","273","2","273","2","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 O12 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0516","0.0432","","","0.1028","0.1218","","","","","","1.075","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547693","21.7593","0.0011","33.6872","0.0016","28.3246","0.0014","90","","92.856","0.003","90","","20736.4","1.8","273","","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C212 H181 N8 O34 Pd2 S16 -","- C212 H181 N8 O34 Pd2 S16 -","- C848 H724 N32 O136 Pd8 S64 -","4","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","1.54178","CuKα","","0.1955","0.1355","","","0.3575","0.4022","","","","","","1.334","","","","has coordinates","202056","2020-10-21","18:00:00",""
"1547694","21.297","0.002","21.48","0.002","27.276","0.003","70.017","0.001","69.062","0.001","61.468","0.001","10013.5","1.7","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C212 H184 N12 O46 Pd2 S12 -","- C212 H184 N12 O46 Pd2 S12 -","- C424 H368 N24 O92 Pd4 S24 -","2","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","0.71073","MoKα","","0.1988","0.1346","","","0.3689","0.4282","","","","","","1.06","","","","has coordinates,has disorder","202057","2020-10-21","18:00:00",""
"1547708","9.099","0.009","6.059","0.006","9.24","0.009","90","","90","","90","","509.4","0.9","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C7 H14 I N O4 -","- C7 H12 I N O4 -","- C14 H24 I2 N2 O8 -","2","0.5","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.0392","0.0362","","","0.0683","0.0698","","","","","","1.144","","","","has coordinates","202105","2020-10-21","18:00:00",""
"1547709","6.437","0.008","6.437","0.008","6.437","0.008","90","","90","","90","","266.7","0.6","338","2","338","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 I N O4 -","- C7.9992 I O4 -","- C7.9992 I O4 -","1","0.0208333","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.1468","0.145","","","0.3081","0.3087","","","","","","1.402","","","","has coordinates","202106","2020-10-21","18:00:00",""
"1547710","8.872","0.0003","11.0082","0.0003","9.1544","0.0003","90","","108.429","0.002","90","","848.21","0.05","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.035","0.0305","","","0.0683","0.071","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547711","7.0558","0.0002","11.7298","0.0003","17.7125","0.0005","90","","90","","90","","1465.94","0.07","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0331","0.0298","","","0.0729","0.0755","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547712","7.0078","0.0003","7.1563","0.0003","11.9748","0.0006","106.043","0.004","97.618","0.004","99.673","0.003","558.69","0.05","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0424","0.0364","","","0.0926","0.0967","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547713","7.6701","0.0002","8.0763","0.0002","9.5222","0.0003","111.724","0.002","96.807","0.002","98.512","0.002","532.2","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C20 H32 O8 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0712","0.047","","","0.1328","0.1538","","","","","","0.945","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547714","8.005","0.0001","11.0252","0.0002","16.3524","0.0003","90","","97.02","0.001","90","","1432.39","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.044","0.0353","","","0.0816","0.0865","","","","","","1.054","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547715","6.1819","0.0002","19.6642","0.0006","8.718","0.0003","90","","104.247","0.002","90","","1027.18","0.06","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.035","0.0326","","","0.0811","0.0829","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547716","8.574","","8.8","","17.704","","90","","90","","90","","1335.79","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0273","0.0257","","","0.0632","0.0641","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547717","7.4396","0.0003","11.7668","0.0005","14.4083","0.0006","67.38","0.003","84.506","0.003","83.796","0.003","1155.44","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 O2 Si -","- C24 H38 O2 Si -","- C48 H76 O4 Si2 -","2","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0637","0.0422","","","0.0928","0.1044","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547718","25.016","0.003","9.6759","0.0012","27.415","0.003","90","","116.342","0.002","90","","5946.8","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0809","0.0592","","","0.1651","0.1802","","","","","","1.088","","","","has coordinates","202115","2020-10-21","18:00:00",""
"1547719","25.0155","0.0017","9.6927","0.0007","27.3884","0.0018","90","","116.251","0.0011","90","","5955.9","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0551","0.0491","","","0.1726","0.1792","","","","","","1.064","","","","has coordinates","202116","2020-10-21","18:00:00",""
"1547720","25.9658","0.0015","9.0558","0.0005","27.369","0.0015","90","","117.686","0.0009","90","","5698.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H115 N13 O29 Zn4 -","- C115 H108 N13 O29 Zn4 -","- C230 H216 N26 O58 Zn8 -","2","0.25","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0627","0.0513","","","0.2017","0.2161","","","","","","1.033","","","","has coordinates","202117","2020-10-21","18:00:00",""
"1547721","24.9168","0.0019","9.6298","0.0007","27.373","0.003","90","","116.294","0.0013","90","","5888.4","0.9","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C125 H134 N16 O33 Zn4 -","- C125 H104 N16 O33 Zn4 -","- C250 H208 N32 O66 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0495","0.0457","","","0.1463","0.1509","","","","","","1.01","","","","has coordinates,has disorder","202118","2020-10-21","18:00:00",""
"1547722","24.9012","0.0017","9.6416","0.0006","27.3223","0.0018","90","","116.379","0.001","90","","5876.7","0.7","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H140 N16 O32 Zn4 -","- C128 H104 N16 O32 Zn4 -","- C256 H208 N32 O64 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0429","0.0406","","","0.1182","0.1198","","","","","","1.054","","","","has coordinates,has disorder","202119","2020-10-21","18:00:00",""
"1547723","38.0759","0.0015","12.6702","0.0005","7.9552","0.0003","90","","101.488","0.007","90","","3760.9","0.3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","1.54187","CuKα","","0.0766","0.058","","","0.1371","0.1475","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547724","37.63","0.013","6.3613","0.0019","16.724","0.006","90","","111.123","0.005","90","","3734","2","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","0.71075","MoKα","","0.0983","0.0702","","","0.1975","0.2263","","","","","","1.117","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547759","7.51","","7.51","","7.51","","90","","90","","90","","423.565","","293","","293","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Cu0.25 Te0.1667 -","- Cu0.25 Te0.166667 -","- Cu12 Te8 -","48","1","","Tom Willhammar; Kadir Sentosun; Stefanos Mourdikoudis; Bart Goris; Mert Kurttepeli; Marnik Bercx; Dirk Lamoen; Bart Partoens; Isabel Pastoriza-Santos; Jorge Perez-Juste; Luis M. Liz-Marzan; Sara Bals; Gustaaf Van Tendeloo","Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared","Nature Communications","2017","8","","14925","","10.1038/ncomms14925","","","0.0251","electron","","0.129","0.129","","0.125","0.125","","","","1.598","1.598","1.598","","","","","has coordinates","202189","2020-10-21","18:00:00",""
"1547886","18.6841","0.0007","18.6841","0.0007","34.6796","0.0017","90","","90","","90","","12106.5","0.9","120.03","0.1","120.03","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","MFM-188","","","- C92 H173 Cu4 N9 O49 S6 -","- C48 H30 Cu4 N4 O24 -","- C192 H120 Cu16 N16 O96 -","4","0.25","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","","x-ray","1.54184","CuKα","","0.1305","0.0855","","","0.2263","0.2746","","","","","","0.915","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547887","18.7721","0.0004","18.7721","0.0004","34.7704","0.0014","90","","90","","90","","12252.8","0.6","10","","10","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","MFM-188_empty","- C24 H11 Cu2 N2 O10 -","- C24 H11 Cu2 N2 O10 -","- C192 H88 Cu16 N16 O80 -","8","0.5","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","powder diffraction","","","neutron","","1.13032","","","","","","","","6.49093","","","","","","","has coordinates","202890","2020-10-21","18:00:00",""
"1547888","6.5268","0.0017","11.251","0.003","9.814","0.003","90","","105.271","0.007","90","","695.2","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum borate chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0111","0.0111","","","0.0286","0.0286","","","","","","1.037","","","","has coordinates","202892","2020-10-21","18:00:00",""
"1547889","8.1867","0.0004","14.5421","0.0007","9.8317","0.0005","90","","90.281","0.002","90","","1170.47","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium borate chloride","","","- B12 Cl2 Nd2 O29 -","- B12 Cl2 Nd2 O29 -","- B24 Cl4 Nd4 O58 -","2","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0393","0.0322","","","0.0685","0.0706","","","","","","1.148","","","","has coordinates","202893","2020-10-21","18:00:00",""
"1547890","8.7754","0.0017","27.454","0.005","6.8312","0.0012","90","","127.524","0.005","90","","1305.3","0.4","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Samarium borate","","","- B7 O17 Sm -","- B7 O17 Sm -","- B28 O68 Sm4 -","4","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0403","0.0318","","","0.07","0.0726","","","","","","1.089","","","","has coordinates","202894","2020-10-21","18:00:00",""
"1547891","6.8148","0.0008","7.1444","0.0009","12.7191","0.0015","96.093","0.003","98.513","0.003","101.75","0.003","593.64","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Europium borate","","","- B7 Eu O16 -","- B7 Eu O16 -","- B14 Eu2 O32 -","2","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0241","0.0227","","","0.0595","0.0598","","","","","","1.174","","","","has coordinates","202895","2020-10-21","18:00:00",""
"1547892","17.0783","0.0004","17.0783","0.0004","20.3077","0.0011","90","","90","","120","","5129.6","0.3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","Lutecium borate","","","- B24 Lu4 O49 -","- B24 Lu4 O49 -","- B144 Lu24 O294 -","6","0.333333","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0573","0.0364","","","0.0573","0.061","","","","","","1.173","","","","has coordinates","202896","2020-10-21","18:00:00",""
"1547893","11.0081","0.001","11.0439","0.0011","20.174","0.002","81.37","0.006","78.531","0.005","80.367","0.006","2352.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H72.5 N7 O13.25 -","- C41 H61 N7 O13.25 -","- C82 H122 N14 O26.5 -","2","2","","Sudipta Mondal; Maxim Varenik; Daniel Nir Bloch; Yoav Atsmon-Raz; Guy Jacoby; Lihi Adler-Abramovich; Linda J.W. Shimon; Roy Beck; Yifat Miller; Oren Regev; Ehud Gazit","A minimal length rigid helical peptide motif allows rational design of modular surfactants","Nature Communications","2017","8","","14018","","10.1038/ncomms14018","","","0.71073","MoKα","","0.0826","0.0556","","","0.1123","0.1266","","","","","","1.028","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547894","28.535","0.004","28.535","0.004","39.508","0.008","90","","90","","90","","32169","9","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H168 Cu24 O144 S8 -","- C208 H144 Cu24 O144 S8 -","- C416 H288 Cu48 O288 S16 -","2","0.125","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.70001","synchrotron","","0.1089","0.0877","","","0.2814","0.3004","","","","","","1.045","","","","has coordinates","202898","2020-10-21","18:00:00",""
"1547895","39.878","0.005","39.878","0.005","39.878","0.005","90","","90","","90","","63416","14","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1709","0.1486","","","0.3738","0.3923","","","","","","1.258","","","","has coordinates","202899","2020-10-21","18:00:00",""
"1547896","39.954","0.005","39.954","0.005","39.954","0.005","90","","90","","90","","63779","14","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1203","0.0963","","","0.2864","0.3278","","","","","","1.273","","","","has coordinates","202900","2020-10-21","18:00:00",""
"1547947","13.1207","0.001","15.5348","0.0011","22.321","0.0016","72.773","0.004","77.36","0.004","70.252","0.004","4054.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H91 Cl21 Fe N14 O6 -","- C51 H91 Cl21 Fe N14 O6 -","- C102 H182 Cl42 Fe2 N28 O12 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1641","0.0925","","","0.2475","0.2956","","","","","","1.027","","","","has coordinates,has disorder","203036","2020-10-21","18:00:00",""
"1547948","21.088","0.0004","21.0711","0.0004","29.6134","0.0005","90","","90","","90","","13158.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H78.56 As2 Fe N12 O19.28 -","- C60 H78.564 As2 Fe N12 O19.282 -","- C480 H628.512 As16 Fe8 N96 O154.256 -","8","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1337","0.0529","","","0.0961","0.123","","","","","","1.005","","","","has coordinates,has disorder","203037","2020-10-21","18:00:00",""
"1547949","9.4448","0.0006","12.0118","0.0008","12.3759","0.0008","87.085","0.004","73.158","0.004","84.015","0.004","1336.17","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H32 Ca Fe N12 O13 -","- C15 H32 Ca Fe N12 O13 -","- C30 H64 Ca2 Fe2 N24 O26 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1793","0.0745","","","0.1217","0.1589","","","","","","0.926","","","","has coordinates","203038","2020-10-21","18:00:00",""
"1547996","31.7332","0.0011","25.7464","0.0004","20.982","0.0008","90","","132.711","0.006","90","","12596.1","1.4","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Tb -","- C62 H77 N4 P4 Si4 Tb -","- C496 H616 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0271","0.0244","","","0.0602","0.0616","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547997","16.9671","0.0006","17.9463","0.0005","19.155","0.0006","71.281","0.003","64.086","0.003","65.421","0.003","4701.3","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 Ce K N4 O8 P4 Si4 -","- C89 H124 Ce K N4 O8 P4 Si4 -","- C178 H248 Ce2 K2 N8 O16 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0432","0.0415","","","0.1083","0.1109","","","","","","1.023","","","","has coordinates,has disorder","203111","2020-10-21","18:00:00",""
"1547998","16.9776","0.0006","17.8949","0.0006","19.1874","0.0007","71.135","0.003","64.209","0.004","65.333","0.003","4697.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 K N4 O8 P4 Pr Si4 -","- C89 H124 K N4 O8 P4 Pr Si4 -","- C178 H248 K2 N8 O16 P8 Pr2 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.058","0.0558","","","0.1517","0.1554","","","","","","1.048","","","","has coordinates,has disorder","203112","2020-10-21","18:00:00",""
"1547999","15.1657","0.0005","15.2813","0.0004","21.1867","0.0005","98.753","0.002","94.959","0.002","93.489","0.002","4821","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Tb -","- C90 H132 K N4 O10 P4 Si4 Tb -","- C180 H264 K2 N8 O20 P8 Si8 Tb2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0675","0.0589","","","0.1545","0.1641","","","","","","1.024","","","","has coordinates,has disorder","203113","2020-10-21","18:00:00",""
"1548000","12.5621","0.0002","13.937","0.0003","21.4408","0.0004","95.8269","0.0016","101.874","0.0014","109.053","0.0017","3414.01","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 Ce N4 P4 Si4 -","- C67 H88 Ce N4 P4 Si4 -","- C134 H176 Ce2 N8 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0749","0.0761","","","","","","1.023","","","","has coordinates,has disorder","203115","2020-10-21","18:00:00",""
"1548001","19.1815","0.0018","19.125","0.0019","12.1896","0.0012","90","","90","","90","","4471.7","0.8","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 U -","- C39 H60 N2 P2 Si4 U -","- C156 H240 N8 P8 Si16 U4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0948","0.0857","","","0.2269","0.2364","","","","","","1.044","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548002","45.8315","0.0014","13.00211","0.00019","24.0634","0.0005","90","","104.354","0.003","90","","13891.9","0.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Pr Si4 -","- C69 H84 Ag N4 P4 Pr Si4 -","- C552 H672 Ag8 N32 P32 Pr8 Si32 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0445","0.0344","","","0.0778","0.0825","","","","","","1.019","","","","has coordinates","203117","2020-10-21","18:00:00",""
"1548003","12.6142","0.0006","13.8834","0.0005","21.4347","0.0008","95.968","0.003","101.233","0.003","109.178","0.004","3419.9","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 N4 P4 Si4 U -","- C62 H76 N4 P4 Si4 U -","- C124 H152 N8 P8 Si8 U2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.062","0.0531","","","0.1315","0.1408","","","","","","1.038","","","","has coordinates","203118","2020-10-21","18:00:00",""
"1548004","12.9528","0.0003","14.0462","0.0005","19.2134","0.0003","95.067","0.002","92.9824","0.0018","110.18","0.003","3255.49","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.5 H80 N4 P4 Si4 Th -","- C65.5 H80 N4 P4 Si4 Th -","- C131 H160 N8 P8 Si8 Th2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0609","0.0611","","","","","","1.045","","","","has coordinates,has disorder","203119","2020-10-21","18:00:00",""
"1548005","19.2611","0.0016","19.2083","0.0018","12.23","0.0011","90","","90","","90","","4524.8","0.7","90","2","90.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 Th -","- C39 H60 N2 P2 Si4 Th -","- C156 H240 N8 P8 Si16 Th4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","0.71073","MoKα","","0.1123","0.0828","","","0.2095","0.2391","","","","","","1.167","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548006","45.786","0.003","12.9185","0.0007","24.1821","0.0012","90","","104.683","0.005","90","","13836.3","1.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Si4 Tb -","- C69 H84 Ag N4 P4 Si4 Tb -","- C552 H672 Ag8 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0389","0.0341","","","0.0835","0.087","","","","","","1.021","","","","has coordinates","203121","2020-10-21","18:00:00",""
"1548131","14.6367","0.0007","11.0939","0.0006","14.9574","0.0007","90","","93.785","0.002","90","","2423.5","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Ir2 N2 O4 P4 -","- C44 H66 Ir2 N2 O4 P4 -","- C88 H132 Ir4 N4 O8 P8 -","2","0.5","","Cano, Israel; Martínez-Prieto, Luis M.; Vendier, Laure; van Leeuwen, Piet W. N. M.","An iridium‒SPO complex as bifunctional catalyst for the highly selective hydrogenation of aldehydes","Catalysis Science & Technology","2018","8","1","221","","10.1039/C7CY01953J","","","0.71073","MoKα","","0.0285","0.0243","","","0.0734","0.0856","","","","","","1.293","","","","has coordinates","227959","2020-10-21","18:00:00",""
"1548132","10.52378","0.00008","10.52378","0.00008","30.7376","0.0004","90","","90","","90","","3404.19","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","","","- C44 H42 Mn -","- C44 H42 Mn -","- C176 H168 Mn4 -","4","1","","Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes","Catalysis Science & Technology","2018","8","1","229","","10.1039/C7CY02086D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0376","0.0372","","","0.0995","0.0999","","","","","","1.067","","","","has coordinates","227960","2020-10-21","18:00:00",""
"1548133","27.9963","0.0007","10.5409","0.0003","19.1609","0.0005","90","","100.453","0.002","90","","5560.7","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co(trenpy3)](ClO4)2","","","- C24 H27 Cl2 Co N7 O8 -","- C24 H27 Cl2 Co N7 O8 -","- C192 H216 Cl16 Co8 N56 O64 -","8","1","","Leung, C.-F.; Cheng, S.-C.; Yang, Y.; Xiang, J.; Yiu, S.-M.; Ko, C.-C.; Lau, T.-C.","Efficient photocatalytic water reduction by a cobalt(ii) tripodal iminopyridine complex","Catalysis Science & Technology","2018","8","1","307","","10.1039/C7CY01524K","","","1.54178","CuKα","","0.0652","0.0482","","","0.1281","0.1423","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548157","20.4693","0.0001","20.4693","0.0001","19.1467","0.0003","90","","90","","90","","8022.32","0.14","173","0.1","173","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C30 H44 N6 O12 S2 Zn2 -","- C30 H44 N6 O12 S2 Zn2 -","- C240 H352 N48 O96 S16 Zn16 -","8","1","","Tan, Ai-Dong; Wan, Kai; Wang, Yi-Fang; Fu, Zhi-Yong; Liang, Zhen-Xing","N, S-containing MOF-derived dual-doped mesoporous carbon as a highly effective oxygen reduction reaction electrocatalyst","Catalysis Science & Technology","2018","8","1","335","","10.1039/C7CY02265D","","","0.71073","MoKα","","0.0388","0.0337","","","0.0741","0.0768","","","","","","1.028","","","","has coordinates","227961","2020-10-21","18:00:00",""
"1548362","10.2514","0.0004","14.6308","0.0006","12.6552","0.0005","90","","92.105","0.004","90","","1896.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Br2 Co N3 O2 -","- C15 H23 Br2 Co N3 O2 -","- C60 H92 Br8 Co4 N12 O8 -","4","1","","Landge, Vinod G.; Pitchaimani, Jayaraman; Midya, Siba P.; Subaramanian, Murugan; Madhu, Vedichi; Balaraman, Ekambaram","Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes","Catalysis Science & Technology","2018","8","2","428","","10.1039/C7CY01994G","","","0.71073","MoKα","","0.0762","0.0477","","","0.0887","0.1036","","","","","","1.104","","","","has coordinates","227968","2020-10-21","18:00:00",""
"1548369","26.009","0.004","26.009","0.004","9.8065","0.0017","90","","90","","120","","5745","1.6","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","[Th3(bptc)3(O)(H2O)3.78][(Cl)(C5H14N3Cl)(H2O)8]","","","- C15 H7 O7.59 Th -","- C15 H7 O7.59333 Th -","- C90 H42 O45.56 Th6 -","6","0.5","","Yuxiang Li; Zaixing Yang; Yanlong Wang; Zhuanling Bai; Tao Zheng; Xing Dai; Shengtang Liu; Daxiang Gui; Wei Liu; Meng Chen; Lanhua Chen; Juan Diwu; Lingyan Zhu; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","A mesoporous cationic thorium-organic framework that rapidly traps anionic persistent organic pollutants","Nature Communications","2017","8","","1354","","10.1038/s41467-017-01208-w","","","0.71073","MoKα","","0.0777","0.0764","","","0.1895","0.1903","","","","","","1.103","","","","has coordinates,has disorder","203932","2020-10-21","18:00:00",""
"1548375","22.4857","0.0003","22.4857","0.0003","11.0509","0.0002","90","","90","","120","","4838.84","0.13","100","2","100","0.4","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H18 Cu3 N18 O15 -","- C36 H18 Cu3 N18 O15 -","- C108 H54 Cu9 N54 O45 -","3","0.166667","","Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong","Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework","Nature Communications","2017","8","","1233","","10.1038/s41467-017-01166-3","","","1.54184","CuKα","","0.065","0.0584","","","0.1757","0.1845","","","","","","1.121","","","","has coordinates,has disorder","203938","2020-10-21","18:00:00",""
"1548398","33.9594","0.0019","8.3689","0.0005","19.1807","0.0011","90","","96.408","0.002","90","","5417.2","0.5","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C256 H232 Cl8 N16 O32 S8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1466","0.0595","","","0.1126","0.1517","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548399","8.9003","0.0003","13.1778","0.0004","13.2084","0.0004","108.296","0.001","102.628","0.001","99.444","0.001","1389.26","0.08","","","160.01","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C64 H58 Cl2 N4 O8 S2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.057","0.0466","","","0.0972","0.1025","","","","","","1.092","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548400","9.6736","0.0007","12.6142","0.0009","12.7109","0.0009","108.99","0.002","99.303","0.002","96.865","0.002","1422.5","0.18","","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Br N2 O5 P -","- C29 H32 Br N2 O5 P -","- C58 H64 Br2 N4 O10 P2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0675","0.0521","","","0.1544","0.1701","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548401","8.9464","0.0009","16.7038","0.0015","19.5947","0.0018","90","","90","","90","","2928.2","0.5","","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C128 H116 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.067","0.0529","","","0.1206","0.1283","","","","","","1.047","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548402","8.9148","0.0006","16.9063","0.0012","19.8682","0.0014","90","","90","","90","","2994.5","0.4","","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl N2 O4 S -","- C33 H31 Cl N2 O4 S -","- C132 H124 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0682","0.0438","","","0.1001","0.113","","","","","","1.009","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548403","24.051","0.002","11.1897","0.0008","20.9345","0.0015","90","","93.412","0.005","90","","5624","0.7","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl N2 O4 P -","- C28 H32 Cl N2 O4 P -","- C224 H256 Cl8 N16 O32 P8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1833","0.1252","","","0.3351","0.3965","","","","","","1.065","","","","has coordinates","204078","2020-10-21","18:00:00",""
"1548404","10.0939","0.0006","24.1607","0.0014","9.0663","0.0005","90","","112.346","0.002","90","","2045","0.2","","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N O2 -","- C24 H19 Cl2 N O2 -","- C96 H76 Cl8 N4 O8 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0466","0.035","","","0.079","0.0857","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548405","5.9996","0.0003","4.9812","0.0003","18.7925","0.001","90","","91.68","0.004","90","","561.38","0.05","","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Br O S -","- C14 H9 Br O S -","- C28 H18 Br2 O2 S2 -","2","1","","Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter","Regioselective synthesis of C3 alkylated and arylated benzothiophenes","Nature Communications","2017","8","","14801","","10.1038/ncomms14801","","x-ray","1.54178","CuKα","","0.0432","0.0411","","","0.11","0.1114","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548406","8.0485","0.0008","10.3008","0.0011","24.936","0.002","90","","90.873","0.002","90","","2067.1","0.3","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Yan-Yun Liu; Xu-Heng Yang; Ren-Jie Song; Shenglian Luo; Jin-Heng Li","Oxidative 1,2-carboamination of alkenes with alkyl nitriles and amines toward gamma-amino alkyl nitriles","Nature Communications","2017","8","","14720","","10.1038/ncomms14720","","x-ray","0.71069","MoKα","","0.0902","0.0511","","","0.1153","0.1345","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548529","6.7424","0.0005","17.1958","0.0014","9.2973","0.0007","90","","102.425","0.0017","90","","1052.69","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 Cl2 N -","- C22 H31 Cl2 N -","- C44 H62 Cl4 N2 -","2","1","","Shaolin Zhu; Nootaree Niljianskul; Stephen L. Buchwald","A direct approach to amines with remote stereocenters by enantioselective CuH-catalysed reductive relay hydroamination","Nature Chemistry","2016","8","","144","150","10.1038/nchem.2418","","","0.71073","MoKα","","0.0351","0.0321","","","0.0801","0.0821","","","","","","1.056","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548586","19.942","0.002","10.9697","0.0007","24.135","0.002","90","","112.7","0.011","90","","4870.7","0.8","250","2","250","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Au Cl F4 N2 O P -","- C25 H17 Au Cl F4 N2 O P -","- C200 H136 Au8 Cl8 F32 N16 O8 P8 -","8","2","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0895","0.0486","","","0.1096","0.1371","","","","","","1.04","","","","has coordinates,has disorder","227979","2020-10-21","18:00:00",""
"1548587","16.0034","0.0005","8.3754","0.0002","19.2521","0.0005","90","","111.188","0.003","90","","2406.01","0.12","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Au Cl F4 N2 O P -","- C25 H17 Au Cl F4 N2 O P -","- C100 H68 Au4 Cl4 F16 N8 O4 P4 -","4","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0389","0.0258","","","0.0566","0.0598","","","","","","1.058","","","","has coordinates","227979","2020-10-21","18:00:00",""
"1548588","11.051","0.003","15.816","0.004","16.857","0.005","109.459","0.003","103.933","0.005","104.747","0.005","2509.4","1.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -","- C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -","- C75.7 H52.58 Au4 Cl14.22 F8 N4 P4 -","2","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","","0.71075","MoKα","","0.1239","0.1038","","","0.2582","0.2689","","","","","","1.119","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1548589","18.453","0.0016","18.5065","0.0019","11.1568","0.0013","90","","97.085","0.01","90","","3781","0.7","250","","250","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -","- C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -","- C147.2 H99.2 Au8 Cl17.6 F16 N8 P8 -","4","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0727","0.0403","","","0.0991","0.1115","","","","","","1.029","","","","has coordinates,has disorder","227979","2020-10-21","18:00:00",""
"1548647","9.6668","0.0005","9.4892","0.0005","9.7273","0.0005","90","","90","","90","","892.29","0.08","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H12 B11 Li -","- C H12 B11 Li -","- C4 H48 B44 Li4 -","4","1","","Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic","Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions","Energy & Environmental Science","2015","8","","3637","3645","10.1039/C5EE02941D","powder diffraction","","","X-ray","","","","","","","","","2.5703","","","","","","","","has coordinates","205028","2020-10-21","18:00:00",""
"1548648","9.7821","0.0004","9.6254","0.0004","10.0928","0.0004","90","","90","","90","","950.3","0.07","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H12 B11 Na -","- C H12 B11 Na -","- C4 H48 B44 Na4 -","4","1","","Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic","Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions","Energy & Environmental Science","2015","8","","3637","3645","10.1039/C5EE02941D","powder diffraction","","","X-ray","","","","","","","","","2.6689","","","","","","","","has coordinates","205029","2020-10-21","18:00:00",""
"1548784","12.6797","0.0003","13.5123","0.0004","23.948","0.0007","90","","90","","90","","4103.1","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.1 H24.5 Fe3 N2.1 O15.7 -","- C39.1 H24.5 Fe3 N2.1 O15.7 -","- C156.4 H98 Fe12 N8.4 O62.8 -","4","1","","Pham, Phuc H.; Doan, Son H.; Tran, Hang T. T.; Nguyen, Ngoc N.; Phan, Anh N. Q.; Le, Ha V.; Tu, Thach N.; Phan, Nam T. S.","A new transformation of coumarins via direct C‒H bond activation utilizing an iron‒organic framework as a recyclable catalyst","Catalysis Science & Technology","2018","8","5","1267","","10.1039/C7CY02139A","","","1.54178","CuKα","","0.1408","0.1027","","","0.243","0.2701","","","","","","1.064","","","","has coordinates","227964","2020-10-21","18:00:00",""
"1548827","18.2412","0.0002","14.5616","0.0002","23.1101","0.0004","90","","90","","90","","6138.53","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Cl3 Cr N7 O2 -","- C27 H33 Cl3 Cr N7 O2 -","- C216 H264 Cl24 Cr8 N56 O16 -","8","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","0.71073","MoKα","","0.0527","0.0371","","","0.1003","0.1042","","","","","","1.097","","","","has coordinates","227963","2020-10-21","18:00:00",""
"1548828","18.3091","0.0003","11.3311","0.0002","13.9361","0.0002","90","","100.163","0.0016","90","","2845.85","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl3 Cr N7 O2 -","- C25 H33 Cl3 Cr N7 O2 -","- C100 H132 Cl12 Cr4 N28 O8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","1.54184","CuKα","","0.0789","0.0633","","","0.1251","0.1294","","","","","","1.15","","","","has coordinates,has disorder","227963","2020-10-21","18:00:00",""
"1549079","12.139","0.009","15.53","0.011","24.301","0.017","90","","98.77","0.011","90","","4528","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 N6 O4 Ru -","- C43 H29 N6 O4 Ru -","- C172 H116 N24 O16 Ru4 -","4","1","","Xiang, Wenjing; Li, Lin; Dai, Zengjin; Meng, Xianggao; Li, Renjie; Zhang, Jing; Peng, Tianyou","TiO2 modified with a Ru(ii)–N′NN′ 8-hydroxyquinolyl complex for efficient gaseous photoreduction of CO2","Catalysis Science & Technology","2018","8","8","2098","","10.1039/C8CY00158H","","","0.71073","MoKα","","0.1226","0.0744","","","0.1868","0.2145","","","","","","0.832","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1549242","8.6949","0.0006","13.9549","0.0009","19.9508","0.0015","90","","90","","90","","2420.8","0.3","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 F3 Mn O6 P2 S -","- C18 H32 F3 Mn O6 P2 S -","- C72 H128 F12 Mn4 O24 P8 S4 -","4","1","","Garduño, Jorge A.; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J.","Mn(i) organometallics containing the iPr2P(CH2)2PiPr2 ligand for the catalytic hydration of aromatic nitriles","Catalysis Science & Technology","2018","8","10","2606","","10.1039/C8CY00416A","","","0.71073","MoKα","","0.1202","0.0766","","","0.1661","0.197","","","","","","1.054","","","","has coordinates,has disorder","227956","2020-10-21","18:00:00",""
"1549467","5.9482","0.0007","10.0866","0.001","5.8984","0.0006","90","","90","","90","","353.89","0.07","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","Sodium Acetate","Sodium Acetate","","- C2 H3 Na O2 -","- C2 H3 Na O2 -","- C8 H12 Na4 O8 -","4","0.5","","Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss","New Polymorphs of the Phase-Change Material Sodium Acetate","Crystals","2018","8","","213","","10.3390/cryst8050213","","","0.71073","MoKα","","0.046","0.029","","","","0.081","","","","","","1.5854","","","","has coordinates","288642","2024-01-03","13:53:13",""
"1549468","4.156","0.003","4.156","","10.053","0.007","90","","90","","90","","173.64","0.17","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","Sodium Acetate","Sodium Acetate","","- C2 H3 Na O2 -","- C2 H3 Na O2 -","- C4 H6 Na2 O4 -","2","0.125","","Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss","New Polymorphs of the Phase-Change Material Sodium Acetate","Crystals","2018","8","","213","","10.3390/cryst8050213","","","0.71073","MoKα","","0.037","0.027","","","","0.078","","","","","","1.7752","","","","has coordinates","288647","2024-01-03","15:11:51",""
"1549470","18.5779","0.0016","7.5662","0.0007","12.5844","0.0011","90","","111.612","0.001","90","","1644.6","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium vanadyl selenite hydrogenselenite","","- H3 Na O8 Se2 V -","- H3 Na O8 Se2 V -","- H24 Na8 O64 Se16 V8 -","8","1","","Stefano Canossa; Giovanni Predieri; Claudia Graiff","Mild Synthesis and Structural Characterization of a Novel Vanadyl Selenite-Hydrogen Selenite Phase, Na[VO(SeO3)(HSeO3)].1,5H2O","Crystals","2018","8","","215","","10.3390/cryst8050215","","","0.71073","MoKα","","0.0489","0.0377","","","0.0969","0.1018","","","","","","1.068","","","","has coordinates,has disorder","208003","2020-10-21","18:00:00",""
"1549488","11.6869","0.0005","8.8935","0.0004","8.551","0.0004","90","","90.223","0.001","90","","888.76","0.07","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H20 Cl2 O6 Pd -","- C15 H20 Cl2 O6 Pd -","- C30 H40 Cl4 O12 Pd2 -","2","0.25","","Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand","Catalysis Science & Technology","2018","8","12","3073","","10.1039/C8CY00173A","","","0.71073","MoKα","","0.0217","0.0217","","","0.0555","0.0555","","","","","","1.069","","","","has coordinates","227977","2020-10-21","18:00:00",""
"1549489","4.7881","0.0008","7.9629","0.0013","8.7923","0.0015","80.994","0.003","77.33","0.003","72.621","0.003","310.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F6 O4 Pd -","- C10 H8 F6 O4 Pd -","- C10 H8 F6 O4 Pd -","1","0.5","","Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Ten-fold boost of catalytic performance in thiol–yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand","Catalysis Science & Technology","2018","8","12","3073","","10.1039/C8CY00173A","","","0.71073","MoKα","","0.0321","0.0307","","","0.0585","0.0593","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549495","15.0632","0.0004","12.3425","0.0003","16.2371","0.0004","90","","107.643","0.0013","90","","2876.77","0.13","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl Ir N O7 P -","- C26 H44 Cl Ir N O7 P -","- C104 H176 Cl4 Ir4 N4 O28 P4 -","4","1","","Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes","Catalysis Science & Technology","2018","8","12","3133","","10.1039/C8CY00328A","","","1.54178","CuKα","","0.0495","0.0385","","","0.0882","0.0936","","","","","","1.026","","","","has coordinates","227978","2020-10-21","18:00:00",""
"1549496","7.7588","0.0006","15.5942","0.0012","24.116","0.0019","89.185","0.004","82.743","0.004","89.582","0.005","2894.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Ir N O7 P -","- C26 H43 Ir N O7 P -","- C104 H172 Ir4 N4 O28 P4 -","4","2","","Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes","Catalysis Science & Technology","2018","8","12","3133","","10.1039/C8CY00328A","","","1.54178","CuKα","","0.0299","0.0246","","","0.0511","0.0526","","","","","","1.068","","","","has coordinates","227978","2020-10-21","18:00:00",""
"1549588","6.7562","0.0004","7.5182","0.0005","8.7692","0.0005","107.83","0.0018","98.976","0.0017","113.06","0.0018","370.28","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 O2 Se -","- C17 H16 O2 Se -","- C17 H16 O2 Se -","1","1","","García-López, Diego; Civit, Marc G.; Vogels, Christopher M.; Ricart, Josep M.; Westcott, Stephen A.; Fernández, Elena; Carbó, Jorge J.","Understanding the mechanism of transition metal-free anti addition to alkynes: the selenoboration case","Catalysis Science & Technology","2018","8","14","3617","","10.1039/C7CY02295F","","","0.71073","MoKα","","0.0198","0.0187","","","0.0573","0.0729","","","","","","1.303","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549589","10.2514","0.0004","14.6308","0.0006","12.6552","0.0005","90","","92.105","0.004","90","","1896.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Br2 Co N3 O2 -","- C15 H23 Br2 Co N3 O2 -","- C60 H92 Br8 Co4 N12 O8 -","4","1","","Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram","Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex","Catalysis Science & Technology","2018","8","14","3469","","10.1039/C8CY00859K","","","0.71073","MoKα","","0.0762","0.0477","","","0.0887","0.1036","","","","","","1.104","","","","has coordinates","227972","2020-10-21","18:00:00",""
"1549590","6.838","0.0014","13.077","0.003","13.377","0.003","89.44","0.03","78.44","0.03","82.78","0.03","1162.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H29 B2 Cl2 Co F8 N5 O -","- C15 H29 B2 Cl2 Co F8 N5 O -","- C30 H58 B4 Cl4 Co2 F16 N10 O2 -","2","1","","Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram","Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex","Catalysis Science & Technology","2018","8","14","3469","","10.1039/C8CY00859K","","","0.63","synchrotron","","0.066","0.046","","","0.1219","0.1304","","","","","","0.97","","","","has coordinates","227972","2020-10-21","18:00:00",""
"1549609","31.977","0.0019","18.3536","0.0013","14.7633","0.0009","90","","91.413","0.006","90","","8661.8","1","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu3 N10 O15 -","- C28 H18 Cu3 N10 O15 -","- C224 H144 Cu24 N80 O120 -","8","1","","Ahmad, Nazir; Younus, Hussein A.; Chughtai, Adeel H.; Van Hecke, Kristof; Khattak, Zafar A. K.; Gaoke, Zhang; Danish, Muhammad; Verpoort, Francis","Synthesis of 2D MOF having potential for efficient dye adsorption and catalytic applications","Catalysis Science & Technology","2018","8","16","4010","","10.1039/C8CY00579F","","","1.54184","CuKα","","0.1055","0.0777","","","0.1912","0.2179","","","","","","0.946","","","","has coordinates","227970","2020-10-21","18:00:00",""
"1549715","18.998","0.006","15.678","0.004","20.236","0.009","90","","100.84","0.04","90","","5920","4","80","2","80","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H157 K2 Mn8 N O42 -","- C86 H157 K2 Mn8 N O42 -","- C172 H314 K4 Mn16 N2 O84 -","2","0.5","","Mousazade, Younes; Mohammadi, Mohammad Reza; Chernev, Petko; Bikas, Rahman; Bagheri, Robabeh; Song, Zhenlun; Lis, Tadeusz; Dau, Holger; Najafpour, Mohammad Mahdi","Water oxidation by a manganese‒potassium cluster: Mn oxide as a kinetically dominant “true” catalyst for water oxidation","Catalysis Science & Technology","2018","8","17","4390","","10.1039/C8CY01151F","","","0.71073","MoKα","","0.153","0.0728","","","0.1233","0.1486","","","","","","1.05","","","","has coordinates,has disorder","227966","2020-10-21","18:00:00",""
"1549739","16.501","0.004","6.6194","0.0018","13.21","0.004","90","","90","","90","","1442.9","0.7","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.19 Al I0.82 O5 -","- C8 H4.184 Al I0.816 O5 -","- C32 H16.736 Al4 I3.264 O20 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1326","0.127","","","0.3491","0.3533","","","","","","1.123","","","","has coordinates,has disorder","227965","2020-10-21","18:00:00",""
"1549740","17.107","0.011","6.622","0.004","12.229","0.008","90","","90","","90","","1385.3","1.5","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.3 Al I0.7 O5.25 -","- C8 H4.3 Al I0.7 O5.25 -","- C32 H17.2 Al4 I2.8 O21 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1215","0.1067","","","0.2786","0.2903","","","","","","1.149","","","","has coordinates","227965","2020-10-21","18:00:00",""
"1549749","10.855","0.0004","28.6007","0.0012","10.8441","0.0004","90","","119.239","0.001","90","","2937.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Rh2 S2 -","- C31 H53 Rh2 S2 -","- C124 H212 Rh8 S8 -","4","1","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0737","0.0595","","","0.117","0.123","","","","","","1.072","","","","has coordinates","227967","2020-10-21","18:00:00",""
"1549750","8.734","0.003","26.987","0.008","8.39","0.002","90","","90","","90","","1977.6","1","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H74 Rh2 S2 -","- C40 H74 Rh2 S2 -","- C80 H148 Rh4 S4 -","2","0.5","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0613","0.0479","","","0.0972","0.1026","","","","","","1.129","","","","has coordinates,has disorder","301779","2025-08-18","16:07:25",""
"1549855","8.268","0.0006","11.8794","0.0007","12.9943","0.0007","71.395","0.005","78.04","0.005","70.734","0.006","1134.41","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 Cl2 N Si Ti -","- C21 H33 Cl2 N Si Ti -","- C42 H66 Cl4 N2 Si2 Ti2 -","2","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.0464","0.0368","","","0.1195","0.1286","","","","","","1.174","","","","has coordinates","227975","2020-10-21","18:00:00",""
"1549856","9.966","0.0002","12.4507","0.0004","15.2615","0.0004","112.445","0.003","108.902","0.002","90.786","0.002","1635.29","0.09","150","2","150","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C32 H49 Cl2 N Si Ti -","- C32 H49 Cl2 N Si Ti -","- C64 H98 Cl4 N2 Si2 Ti2 -","2","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.043","0.0403","","","0.1148","0.1188","","","","","","0.947","","","","has coordinates,has disorder","227975","2020-10-21","18:00:00",""
"1549857","11.5225","0.0002","12.9843","0.0002","15.2891","0.0002","90","","104.979","0.002","90","","2209.7","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl2 N Si Ti -","- C20 H31 Cl2 N Si Ti -","- C80 H124 Cl8 N4 Si4 Ti4 -","4","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.0337","0.0302","","","0.0897","0.0937","","","","","","0.956","","","","has coordinates","227975","2020-10-21","18:00:00",""
"1549858","16.13031","0.00015","14.54437","0.00012","17.33703","0.00017","90","","90","","90","","4067.36","0.06","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N O3 -","- C23 H26 Ir N O3 -","- C184 H208 Ir8 N8 O24 -","8","1","","Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida","Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines","Catalysis Science & Technology","2018","8","24","6316","","10.1039/C8CY01236A","","x-ray","1.54184","CuKα","","0.0191","0.0172","","","0.0437","0.045","","","","","","1.042","","","","has coordinates","227954","2020-10-21","18:00:00",""
"1549873","9.7423","0.0003","11.066","0.0004","12.1673","0.0004","100.717","0.003","104.685","0.003","96.543","0.003","1228.72","0.08","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cl Ir N2 -","- C28 H34 Cl Ir N2 -","- C56 H68 Cl2 Ir2 N4 -","2","1","","Wong, Chin Min; Fekete, Marianna; Nelson-Forde, Rhianna; Gatus, Mark R. D.; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.; Messerle, Barbara A.","Harnessing asymmetric N-heterocyclic carbene ligands to optimise SABRE hyperpolarisation.","Catalysis science & technology","2018","8","19","4925","4933","10.1039/c8cy01214h","","x-ray","1.54184","CuKα","","0.0172","0.0167","","","0.0413","0.0415","","","","","","1.085","","","","has coordinates,has disorder","227969","2020-10-21","18:00:00",""
"1549904","7.4134","0.0003","8.4142","0.0003","12.1239","0.0004","84.72","0.003","88.99","0.003","84.549","0.003","749.62","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","NLL153","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C34 H42 N2 O4 S2 -","2","1","","Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton","Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study","Catalysis Science & Technology","2018","8","20","5251","","10.1039/C8CY00684A","","","0.7107","MoKα","","0.0477","0.0366","","","0.0852","0.0894","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549905","6.2605","0.0004","9.8392","0.0006","12.7844","0.0007","67.7938","0.0014","88.4599","0.0015","84.1325","0.0016","725.21","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","HFP1255","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton","Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study","Catalysis Science & Technology","2018","8","20","5251","","10.1039/C8CY00684A","","","0.71073","MoKα","","0.0416","0.0364","","","0.0984","0.1026","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:07:25",""
"1549933","22.637","0.006","9.781","0.003","23.089","0.006","90","","118.062","0.004","90","","4511","2","203","2","203","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C49 H50 N6 O Y -","- C49 H50 N6 O Y -","- C196 H200 N24 O4 Y4 -","4","1","","Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng","Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates","Catalysis Science & Technology","2018","8","21","5573","","10.1039/C8CY01481G","","","0.71073","MoKα","","0.0584","0.0437","","","0.1321","0.1459","","","","","","1.051","","","","has coordinates","227976","2020-10-21","18:00:00",""
"1550033","20.808","0.003","31.071","0.002","12.2164","0.0011","90","","90.694","0.011","90","","7897.6","1.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 B Cl2 Cu F4 N8 -","- C37 H46 B Cl2 Cu F4 N8 -","- C296 H368 B8 Cl16 Cu8 F32 N64 -","8","2","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","1.54184","CuKα","","0.2276","0.2039","","","0.4806","0.5109","","","","","","1.855","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550034","12.3905","0.0003","19.0233","0.0005","14.481","0.0003","90","","102.996","0.002","90","","3325.86","0.14","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H41 Cl Cu F3 N4 O3 S -","- C33.5 H41 Cl Cu F3 N4 O3 S -","- C134 H164 Cl4 Cu4 F12 N16 O12 S4 -","4","1","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","1.54184","CuKα","","0.0549","0.0397","","","0.0984","0.1092","","","","","","1.039","","","","has coordinates,has disorder","227957","2020-10-21","18:00:00",""
"1550035","9.1002","0.0005","10.9858","0.0006","19.3481","0.0007","89.693","0.004","79.192","0.004","82.793","0.004","1884.64","0.16","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cu F3 N4 O3 S -","- C37 H44 Cu F3 N4 O3 S -","- C74 H88 Cu2 F6 N8 O6 S2 -","2","1","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","0.71073","MoKα","","0.0703","0.0504","","","0.1138","0.1271","","","","","","1.021","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550044","8.5611","0.0002","10.9802","0.0002","13.2254","0.0002","109.051","0.001","102.4","0.001","90.413","0.001","1143.69","0.04","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 I Ir N4 -","- C22 H26 I Ir N4 -","- C44 H52 I2 Ir2 N8 -","2","1","","Semwal, Shrivats; Kumar, Abhishek; Choudhury, Joyanta","Iridium‒NHC-based catalyst for ambient pressure storage and low temperature release of H2via the CO2/HCO2H couple","Catalysis Science & Technology","2018","8","23","6137","","10.1039/C8CY02069H","","x-ray","0.71073","MoKα","","0.025","0.0237","","","0.0558","0.0563","","","","","","1.037","","","","has coordinates","227974","2020-10-21","18:00:00",""
"1550236","9.7438","0.0015","9.9224","0.0016","10.984","0.0019","64.086","0.006","78.354","0.007","63.503","0.006","854.8","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-(1,1-diphenylethyl)-N,N-dimethylaniline","","- C22 H23 N -","- C22 H23 N -","- C44 H46 N2 -","2","1","","Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude","Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept","Catalysis Science & Technology","2018","8","24","6486","","10.1039/C8CY01309H","","","0.71073","MoKα","","0.1115","0.0778","","","0.2647","0.2795","","","","","","1.125","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550237","8.3046","0.0002","10.7954","0.0002","12.0469","0.0002","109.64","0.0009","100.96","0.0008","104.352","0.0009","940.16","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-(1,1-diphenylethyl)-N,N-diethylaniline","","- C24 H27 N -","- C24 H27 N -","- C48 H54 N2 -","2","1","","Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude","Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept","Catalysis Science & Technology","2018","8","24","6486","","10.1039/C8CY01309H","","","0.71073","MoKα","","0.0607","0.0456","","","0.1194","0.1296","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:21",""
"1550511","14.0951","0.0009","5.8123","0.0004","10.0848","0.0007","90","","90","","90","","826.2","0.1","","","","","","","","","","","","9","P n m a","-P 2ac 2n","62","ZrAl2Ti4O11","","carmeltazite","- Al1.89 Ca0.05 Hf0.01 O11 Sc0.06 Si0.13 Ti3.6 Y0.02 Zr1.04 -","- Al1.95 Mg0.22 O11 Si0.13 Ti3.75 Zr0.85 -","- Al7.8 Mg0.88 O44 Si0.52 Ti15 Zr3.4 -","4","0.5","","Griffin, W.L.; Gain, S.E.M.; Bindi, L.; Toledo, V.; Camara, F.; Saunders, M.; O'Reilly, S.Y.","Carmeltazite, ZrAl2Ti4O12, a new mineral trapped in corundum from volcanic rocks of Mt Carmel, Northern Israel","Minerals","2018","8","","601","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","213251","2020-10-21","18:00:00",""
"1550664","9.36375","0.00015","15.7571","0.0003","15.7989","0.0003","90","","100.932","0.0017","90","","2288.76","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C80 H96 N16 O24 S8 -","8","2","","Balachandar, S.; Sethuram, M.; Muthuraja, P.; Dhandapani, M.","Bioactivity of a radical scavenger bis(pyrazolium <i>p</i>-toluenesulphonate) on ctDNA and certain microbes: a combined experimental and theoretical analysis.","Toxicology research","2019","8","3","421","431","10.1039/c8tx00258d","","","1.54184","CuKα","","0.0621","0.0571","","","0.1526","0.1588","","","","","","1.064","","","","has coordinates","225369","2020-10-21","18:00:00",""
"1551314","2.861","0.0004","9.8123","0.0005","12.5425","0.0011","90","","90","","90","","352.11","0.06","4","","4","","","","","","","","","2","P 1 21/m 1 (c,2*a+c,b)","-P 2yb (-1/2*x+z,1/2*x,y)","11","","iron (II,III) oxide","","- Fe4 O5 -","- Fe4 O5 -","- Fe16 O20 -","4","","","Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky","Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation","Nature Chemistry","2016","8","","501","508","10.1038/nchem.2478","","x-ray","0.68884","synchrotron","","0.0582","0.0518","","","0.0845","0.085","","","","4.27","4.27","3.62","","","","has coordinates","215811","2020-10-21","18:00:00",""
"1551315","8.583","0.0004","39.2492","0.0005","12.5425","0.0011","90","","90","","90","","4225.3","0.4","","","","","","","","","","","","2","P 1","P 1","1","","","","- Fe4 O5 -","- Fe48 O60 -","- Fe192 O240 -","4","4","","Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky","Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation","Nature Chemistry","2016","8","","501","508","10.1038/nchem.2478","","","","","","","","","","","","","","","","","","","","","has coordinates","215812","2020-10-21","18:00:00",""
"1551316","8.9571","0.0009","5.9973","0.0006","9.1546","0.0009","90","","90","","90","","491.77","0.08","300","2","300.15","","","","","","","","","5","P m n 21","P 2ac -2","31","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C7 H14 N O4 Re -","- C14 H28 N2 O8 Re2 -","2","0.5","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0148","0.0147","","","0.0368","0.0368","","","","","","1.152","","","","has coordinates","215813","2020-10-21","18:00:00",""
"1551317","6.36","0.002","6.36","0.002","6.36","0.002","89.912","0.003","89.912","0.003","89.912","0.003","257.26","0.14","350","","350","","","","","","","","","5","R 3 m :R","P 3* -2","160","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C6.9993 N0.9999 O4.0002 Re -","- C6.9993 N0.9999 O4.0002 Re -","1","0.166667","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0255","0.0255","","","0.0624","0.0624","","","","","","1.154","","","","has coordinates","215814","2020-10-21","18:00:00",""
"1551318","6.3881","0.0011","6.3881","0.0011","6.3881","0.0011","90","","90","","90","","260.68","0.08","380","","380","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","quinuclidinium perrhenate","","- C7 H14 N O4 Re -","- C7.9992 O4 Re -","- C7.9992 O4 Re -","1","0.0208333","","Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe","Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules","Nature Chemistry","2016","8","","946","952","10.1038/nchem.2567","","","0.71073","MoKα","","0.0381","0.0375","","","0.0994","0.1","","","","","","1.179","","","","has coordinates","215815","2020-10-21","18:00:00",""
"1551372","10.4819","0.0003","10.4819","0.0003","57.62","0.002","90","","90","","90","","6330.7","0.3","147","2","147","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C28 H42 N7 O6.5 -","- C28 H42 N7 O6.5 -","- C224 H336 N56 O52 -","8","1","","John R. Frost; Conor C. G. Scully; Andrei K. Yudin","Oxadiazole grafts in peptide macrocycles","Nature Chemistry","2016","8","","1105","1111","10.1038/nchem.2636","","","1.54178","CuKα","","0.0399","0.0386","","","0.0992","0.1","","","","","","1.082","","","","has coordinates,has disorder","215890","2020-10-21","18:00:00",""
"1551397","7.5075","0.0008","15.2605","0.0016","7.4436","0.0008","90","","90","","90","","852.8","0.16","298","2","298","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H10 Fe N6 Pt -","- C14 H10 Fe N6 Pt -","- C28 H20 Fe2 N12 Pt2 -","2","0.125","","Shun Sakaida; Kazuya Otsubo; Osami Sakata; Chulho Song; Akihiko Fujiwara; Masaki Takata; Hiroshi Kitagawa","Crystalline coordination framework endowed with dynamic gate-opening behaviour by being downsized to a thin film","Nature Chemistry","2016","8","","377","383","10.1038/nchem.2469","","","0.71073","MoKα","","0.0072","0.0072","","","0.0173","0.0173","","","","","","1.014","","","","has coordinates","215926","2020-10-21","18:00:00",""
"1551446","12.1881","0.0003","24.5629","0.0006","12.5908","0.0003","90","","117.009","0.002","90","","3358.27","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 Cl N7 O8 -","- C31 H44 Cl N7 O8 -","- C124 H176 Cl4 N28 O32 -","4","1","","Hongyu Li; Hennie Valkenier; Luke W. Judd; Peter R. Brotherhood; Sabir Hussain; James A. Cooper; Ondrej Jurcek; Hazel A. Sparkes; David N. Sheppard; Anthony P. Davis","Efficient, non-toxic anion transport by synthetic carriers in cells and epithelia","Nature Chemistry","2016","8","","24","32","10.1038/nchem.2384","","","0.71073","MoKα","","0.0706","0.0433","","","0.0889","0.0994","","","","","","1.019","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551504","9.8867","0.0006","25.51","0.0012","24.7353","0.0014","90","","90.22","0.02","90","","6238.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H F S3 -","- C61.5 F S3 -","- C492 F8 S24 -","8","2","","Andrea Krachmalnicoff; Richard Bounds; Salvatore Mamone; Shamim Alom; Maria Concistre; Benno Meier; Karel Kouril; Mark E. Light; Mark R. Johnson; Stephane Rols; Anthony J. Horsewill; Anna Shugai; Urmas Nagel; Toomas Room; Marina Carravetta; Malcolm H. Levitt; Richard J. Whitby","The dipolar endofullerene HF@C60","Nature Chemistry","2016","8","","953","957","10.1038/nchem.2563","","x-ray","0.71073","MoKα","","0.1682","0.0878","","","0.1911","0.2368","","","","","","1.017","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551505","27.2747","0.0012","38.8257","0.0017","42.232","0.002","90","","108.089","0.003","90","","42512","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","M8L12 cubic cage with benzisoxazole guest","","","- C367 H317 B16 Co8 F64 N73 O25 -","- C367 H317 B12 Co8 F48 N73 O25 -","- C1468 H1268 B48 Co32 F192 N292 O100 -","4","0.5","","William Cullen; M. Cristina Misuraca; Christopher A. Hunter; Nicholas H. Williams; Michael D. Ward","Highly efficient catalysis of the Kemp elimination in the cavity of a cubic coordination cage","Nature Chemistry","2016","8","","231","236","10.1038/nchem.2452","","","0.71073","MoKα","","0.2881","0.1561","","","0.4039","0.4535","","","","","","1.104","","","","has coordinates","216108","2020-10-21","18:00:00",""
"1551830","27.934","0.0009","7.5162","0.0003","26.0371","0.0007","90","","95.548","0.003","90","","5441.1","0.3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Fe6 -","- C72 H60 Fe6 -","- C288 H240 Fe24 -","4","0.5","","Michael S. Inkpen; Stefan Scheerer; Michael Linseis; Andrew J. P. White; Rainer F. Winter; Tim Albrecht; Nicholas J. Long","Oligomeric ferrocene rings","Nature Chemistry","2016","8","","825","830","10.1038/nchem.2553","","","0.71073","MoKα","","0.0458","0.0325","","","0.0654","0.0701","","","","","","1.042","","","","has coordinates,has disorder","216451","2020-10-21","18:00:00",""
"1551831","7.4131","0.0006","13.207","0.0009","14.5753","0.001","94.319","0.006","99.791","0.006","98.987","0.006","1381.32","0.18","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H64 Fe6 -","- C74 H64 Fe6 -","- C74 H64 Fe6 -","1","0.5","","Michael S. Inkpen; Stefan Scheerer; Michael Linseis; Andrew J. P. White; Rainer F. Winter; Tim Albrecht; Nicholas J. Long","Oligomeric ferrocene rings","Nature Chemistry","2016","8","","825","830","10.1038/nchem.2553","","","1.54184","CuKα","","0.0526","0.0375","","","0.0852","0.0921","","","","","","1.007","","","","has coordinates,has disorder","216452","2020-10-21","18:00:00",""
"1551912","12.1386","0.0011","12.3014","0.0011","19.1744","0.0017","76.241","0.001","77.026","0.001","69.951","0.001","2580.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[MsTpCu-SCPh3]","","","- C60 H67 B Cu N6 S -","- C60 H67 B Cu N6 S -","- C120 H134 B2 Cu2 N12 S2 -","2","1","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.1012","0.0644","","","0.1496","0.1647","","","","","","1.107","","","","has coordinates","216577","2020-10-21","18:00:00",""
"1551913","40.0234","0.0005","13.3815","0.0002","26.2403","0.0003","90","","125.333","0.001","90","","11465","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","MsTpCuNOSCPh3","","","- C67 H65 B Cu F2 N7 O S -","- C67 H65 B Cu F2 N7 O S -","- C536 H520 B8 Cu8 F16 N56 O8 S8 -","8","1","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.1247","0.0623","","","0.1548","0.1954","","","","","","1.15","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551914","12.6639","0.0004","15.4161","0.0005","22.4366","0.0008","90","","92.779","0.002","90","","4375.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","iPr2TpCuCNArMe2","","","- C19 H26.5 B0.5 Cl2 Cu0.5 N3.5 -","- C19 H26.5 B0.5 Cl2 Cu0.5 N3.5 -","- C152 H212 B4 Cl16 Cu4 N28 -","8","2","","Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren","A motif for reversible nitric oxide interactions in metalloenzymes","Nature Chemistry","2016","8","","663","669","10.1038/nchem.2502","","","0.71073","MoKα","","0.0852","0.0578","","","0.1479","0.1648","","","","","","1.096","","","","has coordinates,has disorder","216579","2020-10-21","18:00:00",""
"1551919","22.883","0.013","9.955","0.003","28.329","0.009","90","","105.871","0.018","90","","6207","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Be Cl2 N -","- C20 H31 Be Cl2 N -","- C240 H372 Be12 Cl24 N12 -","12","3","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0672","0.0396","","","0.0856","0.0974","","","","","","1.019","","","","has coordinates","216648","2020-10-21","18:00:00",""
"1551920","20.214","0.006","9.634","0.004","23.524","0.006","90","","90","","90","","4581","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 Be Cl2 N -","- C23 H35 Be Cl2 N -","- C184 H280 Be8 Cl16 N8 -","8","1","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0424","0.0342","","","0.0885","0.0944","","","","","","1.044","","","","has coordinates","216649","2020-10-21","18:00:00",""
"1551921","10.009","0.003","10.854","0.004","11.522","0.003","73.426","0.012","71.114","0.008","78.842","0.011","1128","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H74 Be N2 -","- C52 H74 Be N2 -","- C52 H74 Be N2 -","1","0.5","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0636","0.0469","","","0.1064","0.1152","","","","","","1.038","","","","has coordinates","216650","2020-10-21","18:00:00",""
"1551922","10.205","0.003","11.905","0.003","16.885","0.004","95.186","0.007","92.747","0.007","112.17","0.007","1884.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H66 Be N2 -","- C43 H66 Be N2 -","- C86 H132 Be2 N4 -","2","1","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0882","0.0618","","","0.1585","0.1716","","","","","","1.02","","","","has coordinates","216651","2020-10-21","18:00:00",""
"1552002","31.5447","0.0004","15.1571","0.0002","16.326","0.0003","90","","102.94","0.0007","90","","7607.7","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H56 B Cl Ge N4 -","- C37 H56 B Cl Ge N4 -","- C296 H448 B8 Cl8 Ge8 N32 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","0.71073","MoKα","","0.0631","0.0469","","0.1164","0.1011","0.1164","","","","","","0.9075","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552003","51.304","0.002","13.7692","0.0006","27.1756","0.0005","90","","101.731","0.003","90","","18796.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H92 B2 Ge2 N6 -","- C63 H92 B2 Ge2 N6 -","- C504 H736 B16 Ge16 N48 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.1066","0.0793","","","0.2115","0.2418","","","","","","1.12","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552004","26.718","0.005","18.519","0.004","14.938","0.003","90","","108.53","0.03","90","","7008","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 B Ge K N2 -","- C33 H44 B Ge K N2 -","- C264 H352 B8 Ge8 K8 N16 -","8","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","0.71073","MoKα","","0.0985","0.0639","","","0.1663","0.1797","","","","","","1.088","","","","has coordinates,has disorder","216813","2020-10-21","18:00:00",""
"1552005","16.8587","0.0002","19.0488","0.0002","19.5197","0.0002","90","","90","","90","","6268.52","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H94 B2 Ge2 N6 -","- C63 H94 B2 Ge2 N6 -","- C252 H376 B8 Ge8 N24 -","4","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0297","0.029","","","0.0975","0.0992","","","","","","0.883","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1552006","22.4542","0.0007","10.5244","0.0003","23.651","0.0008","90","","112.271","0.004","90","","5172.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 B2 Ge2 N4 -","- C52 H72 B2 Ge2 N4 -","- C208 H288 B8 Ge8 N16 -","4","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0442","0.0337","","","0.0884","0.0979","","","","","","1.006","","","","has coordinates","216815","2020-10-21","18:00:00",""
"1552007","13.6923","0.0003","12.3401","0.0002","15.7584","0.0004","90","","97.648","0.002","90","","2638.92","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 B2 Ge2 N4 -","- C52 H76 B2 Ge2 N4 -","- C104 H152 B4 Ge4 N8 -","2","0.5","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0346","0.0299","","","0.0826","0.0881","","","","","","1.033","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552011","18.991","0.0014","14.9865","0.0011","10.1443","0.0008","90","","110.321","0.001","90","","2707.5","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Np(L)Cl","","- C32 H36 Cl N2 Np -","- C32 H36 Cl N2 Np -","- C128 H144 Cl4 N8 Np4 -","4","0.5","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.0204","0.0195","","","0.0498","0.0505","","","","","","1.084","","","","has coordinates","216820","2020-10-21","18:00:00",""
"1552012","10.5639","0.0007","13.6771","0.0008","18.1083","0.0011","75.147","0.001","75.732","0.001","84.334","0.001","2449.2","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","Np2Cl4(L)(THF)3","","- C46 H64 Cl4 N2 Np2 O3.5 -","- C46 H64 Cl4 N2 Np2 O3.5 -","- C92 H128 Cl8 N4 Np4 O7 -","2","1","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.0717","0.0414","","","0.0871","0.0997","","","","","","1","","","","has coordinates","216821","2020-10-21","18:00:00",""
"1552013","10.205","0.003","20.025","0.005","17.8","0.004","90","","105.645","0.005","90","","3502.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 K N2 Np O3 -","- C37 H48 K N2 Np O3 -","- C148 H192 K4 N8 Np4 O12 -","4","1","","Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold","Organometallic neptunium(III) complexes","Nature Chemistry","2016","8","","797","802","10.1038/nchem.2520","","","0.71073","MoKα","","0.1405","0.0664","","","0.1108","0.125","","","","","","0.978","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552019","9.321","0.0005","15.264","0.0009","16.653","0.0007","74.721","0.004","84.365","0.004","78.162","0.004","2234.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(NE,N'E,N''E,N'''E)-4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrakis(N-benzylideneaniline)","","- C56 H44 Cl2 N4 -","- C56 H44 Cl2 N4 -","- C112 H88 Cl4 N8 -","2","1","","Laura Ascherl; Torben Sick; Johannes T. Margraf; Saul H. Lapidus; Mona Calik; Christina Hettstedt; Konstantin Karaghiosoff; Markus Doblinger; Timothy Clark; Karena W. Chapman; Florian Auras; Thomas Bein","Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks","Nature Chemistry","2016","8","","310","316","10.1038/nchem.2444","","","0.71073","MoKα","","0.0874","0.0526","","","0.1212","0.1422","","","","","","1.022","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1552020","14.393","0.0011","14.6571","0.0011","18.8797","0.0014","87.4893","0.0009","86.8843","0.0009","60.8258","0.0008","3471.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114.93 H54.85 Cl1.84 N4 Ni O0.96 -","- C114.94 H54.88 Cl1.836 N4 Ni O0.97 -","- C229.88 H109.76 Cl3.672 N8 Ni2 O1.94 -","2","1","","Rui Zhang; Michihisa Murata; Tomoko Aharen; Atsushi Wakamiya; Takafumi Shimoaka,; Takeshi Hasegawa; Yasujiro Murata","Synthesis of a distinct water dimer inside fullerene C70","Nature Chemistry","2016","8","","435","441","10.1038/nchem.2464","","","0.71073","MoKα","","0.0423","0.0363","","","0.0869","0.0908","","","","","","1.03","","","","has coordinates,has disorder","216829","2020-10-21","18:00:00",""
"1552021","10.7048","0.0008","10.2381","0.0008","30.816","0.002","90","","92.257","0.002","90","","3374.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Br F O P Pd S -","- C37 H47 Br F O P Pd S -","- C148 H188 Br4 F4 O4 P4 Pd4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.074","0.0557","","","0.0965","0.101","","","","","","1.232","","","","has coordinates","216830","2020-10-21","18:00:00",""
"1552022","11.0067","0.0004","11.0733","0.0004","13.4281","0.0004","90","","90","","90","","1636.62","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br F O S -","- C19 H14 Br F O S -","- C76 H56 Br4 F4 O4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.0159","0.0152","","","0.0387","0.0389","","","","","","1.101","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552023","7.3598","0.0003","14.3822","0.0004","15.5984","0.0005","90","","90","","90","","1651.09","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br F O S -","- C19 H14 Br F O S -","- C76 H56 Br4 F4 O4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.0227","0.0209","","","0.0481","0.0491","","","","","","1.095","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552024","11.8433","0.0014","16.994","0.002","12.4738","0.0014","90","","102.967","0.003","90","","2446.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F3 N5 O4 S -","- C24 H20 F3 N5 O4 S -","- C96 H80 F12 N20 O16 S4 -","4","1","","Qi-Qiang Wang; Sergio Gonell; Stefan H. A. M. Leenders; Maximilian Durr; Ivana Ivanovic-Burmazovic; Joost N. H. Reek","Self-assembled nanospheres with multiple endohedral binding sites pre-organize catalysts and substrates for highly efficient reactions","Nature Chemistry","2016","8","","225","230","10.1038/nchem.2425","","","0.71073","MoKα","","0.0584","0.0413","","","0.1038","0.1176","","","","","","0.912","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552053","28.134","0.002","15.138","0.0012","19.4067","0.0014","90","","90","","90","","8265.2","1.1","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C72.5 H40 N12.8 O22.91 Pd2 -","- C72.5 H40 N12.788 O22.864 Pd2 -","- C290 H160 N51.152 O91.456 Pd8 -","4","0.5","","Aleksandr V. Zhukhovitskiy; Mingjiang Zhong; Eric G. Keeler; Vladimir K. Michaelis; Jessie E. P. Sun; Michael J. A. Hore; Darrin J. Pochan; Robert G. Griffin; Adam P. Willard; Jeremiah A. Johnson","Highly branched and loop-rich gels via formation of metal-organic cages linked by polymers","Nature Chemistry","2016","8","","33","41","10.1038/nchem.2390","","","0.71073","MoKα","","0.1056","0.0761","","","0.2273","0.2592","","","","","","1.058","","","","has coordinates,has disorder","216871","2020-10-21","18:00:00",""
"1553407","9.7278","0.0019","10.55","0.002","11.522","0.002","91.22","0.03","109.68","0.03","108.69","0.03","1043.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 Cl4 N4 Ni2 O2 -","- C42 H54 Cl4 N4 Ni2 O2 -","- C42 H54 Cl4 N4 Ni2 O2 -","1","0.5","","Zhang, Youfu; Huang, Chuanbing; Wang, Xinxin; Mahmood, Qaiser; Hao, Xiang; Hu, Xinquan; Guo, Cun-Yue; Solan, Gregory A.; Sun, Wen-Hua","Highly branched unsaturated polyethylenes achievable using strained imino-cyclopenta[b]pyridyl-nickel precatalysts","Polymer Chemistry","2017","8","6","995","","10.1039/C6PY02089E","","","0.71073","MoKα","","0.0384","0.0336","","","0.1043","0.1231","","","","","","1.262","","","","has coordinates","234784","2020-10-21","18:00:00",""
"1553408","9.0742","0.0018","14.496","0.003","12.391","0.003","90","","98.03","0.03","90","","1613.9","0.6","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cl2 N4 Ni -","- C36 H40 Cl2 N4 Ni -","- C72 H80 Cl4 N8 Ni2 -","2","0.5","","Zhang, Youfu; Huang, Chuanbing; Wang, Xinxin; Mahmood, Qaiser; Hao, Xiang; Hu, Xinquan; Guo, Cun-Yue; Solan, Gregory A.; Sun, Wen-Hua","Highly branched unsaturated polyethylenes achievable using strained imino-cyclopenta[b]pyridyl-nickel precatalysts","Polymer Chemistry","2017","8","6","995","","10.1039/C6PY02089E","","","0.71073","MoKα","","0.0373","0.0358","","","0.0854","0.0865","","","","","","1.0388","","","","has coordinates","234784","2020-10-21","18:00:00",""
"1553643","29.3374","0.0007","29.3374","0.0007","29.3374","0.0007","90","","90","","90","","25250.2","1","100","","100.05","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 Fe N6 -","- C27 H33 B2 F10.9999 Fe N6 -","- C864 H1056 B64 F351.997 Fe32 N192 -","32","0.333333","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","x-ray","0.71073","MoKα","","0.0572","0.0486","","","0.1456","0.1548","","","","","","1.049","","","","has coordinates","235361","2020-10-21","18:00:00",""
"1553644","11.4603","0.0007","14.9231","0.0008","18.6992","0.0011","110.254","0.003","106.434","0.003","91.133","0.003","2853","0.3","100","","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31.5 B2 F10 Fe N6.5 -","- C26 H31.5 B2 F10 Fe N6.5 -","- C104 H126 B8 F40 Fe4 N26 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0527","0.0448","","","0.1107","0.1153","","","","","","1.059","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553645","13.6092","0.0004","14.5112","0.0004","14.1222","0.0004","90","","90.875","0.001","90","","2788.61","0.14","100","","99.87","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C25 H30 B2 F10 N6 Zn -","- C24.9995 H29.9985 B2 F10.0005 N6 Zn -","- C99.998 H119.994 B8 F40.002 N24 Zn4 -","4","2","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0511","0.0429","","","0.1042","0.1088","","","","","","1.025","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1553646","16.8376","0.0005","16.8376","0.0005","7.8829","0.0003","90","","90","","120","","1935.43","0.11","100","","100.08","","","","","","","","","6","P 3","P 3","143","","","","- C24 H27 B2 F11 Fe N6 -","- C24 H27 B2 F11 Fe N6 -","- C72 H81 B6 F33 Fe3 N18 -","3","1","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0375","0.0365","","","0.0948","0.0958","","","","","","1.026","","","","has coordinates,has disorder","301780","2025-08-18","21:43:30",""
"1553647","29.282","0.0008","29.282","0.0008","29.282","0.0008","90","","90","","90","","25107.4","1.2","100","","100.08","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 N6 Zn -","- C27 H33 B2 F10.9999 N6 Zn -","- C864 H1056 B64 F351.997 N192 Zn32 -","32","0.333333","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0382","0.0355","","","0.1002","0.103","","","","","","1.073","","","","has coordinates","235370","2020-10-21","18:00:00",""
"1553648","7.0187","0.0004","7.0187","","7.5098","0.0005","90","","90","","90","","369.95","0.03","298","","298","","","","","","","","","7","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si Xe0.34 -","- C8 H8 F6 N4 Ni Si Xe0.3438 -","- C8 H8 F6 N4 Ni Si Xe0.3438 -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.05565","","4.07","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553649","7.00122","0.00019","7.00122","","7.49794","0.00021","90","","90","","90","","367.527","0.014","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.03824","","4.12","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553650","6.99732","0.00024","6.99732","","7.49177","0.00027","90","","90","","90","","366.816","0.018","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","SIFSIX-3-Ni","SIFSIX-3-Ni","","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","- C8 H8 F6 N4 Ni Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","powder diffraction","x-ray","0.72768","synchrotron","","","","","","","","0.04738","","3.5","","","","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1553651","7.1831","0.0011","7.1831","0.0011","7.5839","0.0012","90","","90","","90","","391.31","0.1","100","2","100","2","","","","","","","","7","P 4/m m m","-P 4 2","123","SIFSIX-3-Fe","SIFSIX-3-Fe","","- C8 H8 F6 Fe N4 O Si -","- C8 H8 F6 Fe N4 O Si -","- C8 H8 F6 Fe N4 O Si -","1","0.0625","","Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K.","Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks.","Chemical science","2017","8","3","2373","2380","10.1039/c6sc05012c","","","0.71073","MoKα","","0.0596","0.048","","","0.1543","0.1717","","","","","","1.24","","","","has coordinates","235373","2020-10-21","18:00:00",""
"1554189","10.0354","0.0005","12.4751","0.0012","22.059","0.0013","90","","93.55","0.004","90","","2756.3","0.3","","","99.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 O3 P Ru -","- C29 H31 Cl2 O3 P Ru -","- C116 H124 Cl8 O12 P4 Ru4 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","1.54178","CuKα","","0.028","0.0251","","","0.0624","0.0641","","","","","","1.0449","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554190","16.387","0.013","27.97","0.02","26.66","0.02","90","","101.396","0.015","90","","11979","16","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C123.3 Cl8 O8 P4 Ru4 Zn2 -","- C123.28 Cl8 O8 P4 Ru4 Zn2 -","- C493.12 Cl32 O32 P16 Ru16 Zn8 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","0.71073","MoKα","","0.1649","0.0811","","","0.2023","0.2562","","","","","","1.008","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554191","10.595","0.002","12.873","0.003","18.387","0.004","90","","106.74","","90","","2401.5","0.9","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl2 O2 P Ru -","- C25 H29 Cl2 O2 P Ru -","- C100 H116 Cl8 O8 P4 Ru4 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","0.71073","MoKα","","0.0874","0.042","","","0.0624","0.0714","","","","","","0.577","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1556115","7.9578","0.0003","20.7251","0.0009","11.7791","0.0005","90","","110.834","0.003","90","","1815.66","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","2","","Tanaka, Ken; Wada, Azusa; Noguchi, Keiichi","Rhodium-catalyzed [2+2+2] cycloaddition of 1,6-diynes with isothiocyanates and carbon disulfide.","Organic letters","2006","8","5","907","909","10.1021/ol053044r","","","1.54187","CuKα","","0.0332","0.028","","","0.0664","0.0711","","","","","","1.125","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1557223","10.93","0.0004","14.2927","0.0006","19.2894","0.0008","70.366","0.003","86.491","0.003","73.206","0.003","2715","0.2","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C55.6 H49 Br2 Cl2 Cu F6 N2 O1.9 P3 -","- C52 H40 Br2 Cl2 Cu F6 N2 O P3 -","- C104 H80 Br4 Cl4 Cu2 F12 N4 O2 P6 -","2","1","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.34143","GaKα","","0.0904","0.0858","","","0.2317","0.2384","","","","","","1.059","","","","has coordinates","247847","2020-10-21","18:00:00",""
"1557224","12.4032","0.0009","18.9805","0.0014","22.0591","0.0017","70.33","0.003","77.791","0.003","87.292","0.003","4777.9","0.6","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H36 Br2 Cl2 Cu F6 N2 O P3 -","- C48 H34 Br2 Cu F6 N2 O P3 -","- C192 H136 Br8 Cu4 F24 N8 O4 P12 -","4","2","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.035","0.0327","","","0.0817","0.0834","","","","","","1.008","","","","has coordinates","247848","2020-10-21","18:00:00",""
"1557225","15.1949","0.001","18.5322","0.0012","18.5423","0.0013","107.867","0.002","104.444","0.002","101.088","0.002","4603.2","0.5","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H39 Br2 Cu F6 N2 O1.5 P3 -","- C50 H39 Br2 Cu F6 N2 O1.5 P3 -","- C200 H156 Br8 Cu4 F24 N8 O6 P12 -","4","2","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.0389","0.0369","","","0.0952","0.0971","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557226","10.1768","0.0008","13.7504","0.0011","20.1505","0.0016","90.204","0.002","98.12","0.002","99.535","0.002","2751.9","0.4","130","","130","","","","","","","","","9","P -1","-P 1","2","","","","- C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 -","- C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3 -","- C109.8 H94.4 Br4 Cl4.4 Cu2 F12 N4 O3.4 P6 -","2","1","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.54178","CuKα","","0.0391","0.0382","","","0.1093","0.1101","","","","","","1.073","","","","has coordinates,has disorder","247850","2020-10-21","18:00:00",""
"1557227","33.3182","0.0016","14.105","0.0006","11.8205","0.0005","90","","102.059","0.004","90","","5432.5","0.4","130","","130","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C52.1 H40.2 Br2 Cl2.2 Cu F6 N2 O P3 -","- C51 H38 Br2 Cu F6 N2 O P3 -","- C204 H152 Br8 Cu4 F24 N8 O4 P12 -","4","0.5","","Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands","Inorganics","2020","8","1","4","","10.3390/inorganics8010004","","x-ray","1.34143","GaKα","","0.0863","0.0728","","","0.1853","0.1973","","","","","","1.034","","","","has coordinates,has disorder","247851","2020-10-21","18:00:00",""
"1557742","5.8207","0.0003","11.2873","0.0005","6.3126","0.0004","90","","90","","90","","414.74","0.04","298","1","298","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H0.064 D0.936 O5 Sb -","- C2 H0.064 D0.936 O5 Sb -","- C8 H0.256 D3.744 O20 Sb4 -","4","0.5","","Kohlmann, Holger; Rauchmaul, Anne; Keilholz, Simon; Franz, Alexandra","Crystal Structure and Thermal Behavior of SbC2O4OH and SbC2O4OD","Inorganics","2020","8","3","21","","10.3390/inorganics8030021","powder diffraction","","1.79725","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.1932","1.99","","","","","","","has coordinates","250385","2020-10-21","18:00:00",""
"1558002","30.24","0.006","3.9413","0.0008","20.418","0.004","90","","107.77","0.03","90","","2317.4","0.9","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O3 S2 -","- C12 H10 O3 S2 -","- C96 H80 O24 S16 -","8","1","","Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola","A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds","Inorganics","2020","8","4","27","","10.3390/inorganics8040027","","","0.71073","MoKα","","0.0944","0.0501","","","0.1103","0.1292","","","","","","0.94","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558003","13.588","0.003","19.062","0.004","16.764","0.003","90","","100.11","0.03","90","","4274.7","1.6","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 K2 N2 Ni4 O14 S12 -","- C72 H74 K2 N2 Ni4 O14 S12 -","- C144 H148 K4 N4 Ni8 O28 S24 -","2","0.5","","Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola","A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds","Inorganics","2020","8","4","27","","10.3390/inorganics8040027","","","0.71073","MoKα","","0.1006","0.0568","","","0.1466","0.1668","","","","","","0.921","","","","has coordinates,has disorder","251747","2020-10-21","18:00:00",""
"1558185","10.4786","0.0003","18.9864","0.0004","22.1096","0.0005","90","","100.077","0.002","90","","4330.87","0.18","130","","130","","","","","","","","Marco Meyer","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H37 Cl Cu F6 N2 O P3 -","- C47 H37 Cl Cu F6 N2 O P3 -","- C188 H148 Cl4 Cu4 F24 N8 O4 P12 -","4","1","","Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes","Inorganics","2020","8","5","33","","10.3390/inorganics8050033","","","1.34143","GaKα","","0.1124","0.1124","","0.0443","0.0443","0.0443","","","","","","1.0315","","","","has coordinates,has disorder","301780","2025-08-18","21:43:38",""
"1558186","11.4363","0.0006","14.0871","0.0006","14.803","0.0007","89.133","0.004","68.457","0.004","88.73","0.004","2217.62","0.19","130","","130","","","","","","","","Marco Meyer","8","P -1","-P 1","2","","","","- C50 H41 Cl Cu F6 N2 O P3 -","- C50 H41 Cl Cu F6 N2 O P3 -","- C100 H82 Cl2 Cu2 F12 N4 O2 P6 -","2","1","","Meyer, Marco; Brunner, Fabian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Chimera Diimine Ligands in Emissive [Cu(P^P)(N^N)][PF6] Complexes","Inorganics","2020","8","5","33","","10.3390/inorganics8050033","","","1.34143","GaKα","","0.1112","0.1112","","0.0483","0.0483","0.0466","","","","","","0.9937","","","","has coordinates,has disorder","301780","2025-08-18","21:43:38",""
"1558187","9.3351","0.0005","18.4709","0.0009","14.3598","0.0007","90","","93.846","0.001","90","","2470.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O Sn -","- C29 H27 N O Sn -","- C116 H108 N4 O4 Sn4 -","4","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0281","0.0212","","","0.0423","0.0452","","","","","","1.105","","","","has coordinates","252938","2020-10-21","18:00:00",""
"1558188","9.1303","0.0004","9.302","0.0004","24.2461","0.0011","90.942","0.001","91.775","0.001","91.724","0.001","2056.99","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O Sn -","- C23 H22 Cl N O Sn -","- C92 H88 Cl4 N4 O4 Sn4 -","4","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0255","0.0205","","","0.0398","0.0413","","","","","","1.096","","","","has coordinates","252939","2020-10-21","18:00:00",""
"1558189","10.5295","0.0007","10.0336","0.0005","17.1396","0.0011","90","","96.677","0.002","90","","1798.5","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br2 N O Sn -","- C17 H17 Br2 N O Sn -","- C68 H68 Br8 N4 O4 Sn4 -","4","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0358","0.0219","","","0.0383","0.0422","","","","","","1.052","","","","has coordinates,has disorder","252940","2020-10-21","18:00:00",""
"1558190","8.453","0.0005","10.2368","0.0005","11.7987","0.0007","93.059","0.002","101.936","0.002","108.325","0.002","940.5","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Br2 N O Sn -","- C18 H19 Br2 N O Sn -","- C36 H38 Br4 N2 O2 Sn2 -","2","1","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.025","0.0183","","","0.0358","0.0387","","","","","","1.115","","","","has coordinates","252941","2020-10-21","18:00:00",""
"1558191","8.4502","0.0002","18.9557","0.0005","31.5231","0.0009","90","","90","","90","","5049.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O Sn -","- C30 H29 N O Sn -","- C240 H232 N8 O8 Sn8 -","8","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0449","0.0316","","","0.0485","0.0517","","","","","","0.987","","","","has coordinates","252942","2020-10-21","18:00:00",""
"1558192","19.422","0.002","22.654","0.003","25.321","0.003","115.783","0.004","92.992","0.005","106.118","0.005","9443","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C133 H101 Cl5 I3 N9 Ni12 O35 -","- C133 H87 Cl5 I3 N9 Ni12 O35 -","- C266 H174 Cl10 I6 N18 Ni24 O70 -","2","1","","Perlepe, Panagiota S.; Pantelis, Konstantinos N.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C.","Rare Nuclearities in Ni(II) Cluster Chemistry: An Unprecedented {Ni12} Nanosized Cage from the Use of N-Naphthalidene-2-Amino-5-Chlorobenzoic Acid","Inorganics","2020","8","5","32","","10.3390/inorganics8050032","","","0.71073","MoKα","","0.1221","0.0872","","","0.2099","0.2361","","","","","","1.04","","","","has coordinates","252943","2020-10-21","18:00:00",""
"1558636","3.8803","0.0001","3.8803","0.0001","7.7796","0.0004","90","","90","","90","","117.135","0.007","","","298","","","","100","","","","","5","P 4/m m m","-P 4 2","123","Sr(Co0.87Nb0.1Sn0.03)O2.74","","","- Co0.87 Nb0.1 O2.74 Sn0.03 Sr -","- Co O2.74 Sr -","- Co2 O5.48 Sr2 -","2","0.125","","Park, J.H.; Lee, Y.A.; Yu, J.H.; Lee, J.H.; Yoon, H.; Cho, Y.; Yoo, C.-Y.","Effects of Nb and Sn co-doping on the structure and properties of SrCoO3-d oxygen transport membranes","Journal of Asian Ceramic Societies","2020","8","","519","527","10.1080/21870764.2020.1756066","","","","","","","","","","","","","","","","","","","","","has coordinates","254429","2020-10-21","18:00:00",""
"1558637","3.8875","0.0001","3.8875","0.0001","7.7906","0.0004","90","","90","","90","","117.737","0.007","","","298","","","","100","","","","","5","P 4/m m m","-P 4 2","123","Sr(Co0.85Nb0.1Sn0.05)O2.76","","","- Co0.85 Nb0.1 O2.76 Sn0.05 Sr -","- Co O2.76 Sr -","- Co2 O5.52 Sr2 -","2","0.125","","Park, J.H.; Lee, Y.A.; Yu, J.H.; Lee, J.H.; Yoon, H.; Cho, Y.; Yoo, C.-Y.","Effects of Nb and Sn co-doping on the structure and properties of SrCoO3-d oxygen transport membranes","Journal of Asian Ceramic Societies","2020","8","","519","527","10.1080/21870764.2020.1756066","","","","","","","","","","","","","","","","","","","","","has coordinates","254430","2020-10-21","18:00:00",""
"1558993","9.2947","0.0002","18.5982","0.0005","18.3144","0.0004","90","","90.534","0.002","90","","3165.78","0.13","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H53 Ag2 N9 O6 P4 -","- C62 H53 Ag2 N9 O6 P4 -","- C124 H106 Ag4 N18 O12 P8 -","2","0.5","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0805","0.0634","","","0.1687","0.1797","","","","","","1.064","","","","has coordinates,has disorder","256193","2020-10-21","18:00:00",""
"1558994","13.2478","0.0004","15.6986","0.0004","19.701","0.0005","90","","90","","90","","4097.25","0.19","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Ag2 B2 F8 N6 P2 -","- C36 H34 Ag2 B2 F8 N6 P2 -","- C144 H136 Ag8 B8 F32 N24 P8 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0535","0.0557","","","","","","1.022","","","","has coordinates,has disorder","256194","2020-10-21","18:00:00",""
"1559473","6.7784","0.0002","6.7175","0.0002","8.6991","0.0003","90","","90","","90","","396.1","0.02","248","","248","","","","","","","","","4","P n c 2","P 2 -2bc","30","Diammine_Barium_Borohydride","","","- B2 Ba H14 N2 -","- B2 Ba H14 N2 -","- B4 Ba2 H28 N4 -","2","0.5","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","2.028","2279.3","","","","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559474","5.08626","0.00008","9.37609","0.00016","12.9631","0.0002","90","","90","","90","","618.2","0.017","368","","368","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Monoammine_barium_borohydride","","","- B2 Ba H11 N -","- B2 Ba H11 N -","- B8 Ba4 H44 N4 -","4","1","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","3.0385","1528.14","","","","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559658","17.049","0.0003","14.1638","0.0002","25.7784","0.0004","90","","103.896","0.0018","90","","6042.76","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41 H28 N4 -","- C41 H28 N4 -","- C328 H224 N32 -","8","4","","Ni, Fan; Huang, Chih-Wei; Tang, Yukun; Chen, Zhanxiang; Wu, Yaxun; Xia, Shengpeng; Cao, Xiaosong; Hsu, Jung-Hsien; Lee, Wei-Kai; Zheng, Kailu; Huang, Zhongyan; Wu, Chung-Chih; Yang, Chuluo","Integrating molecular rigidity and chirality into thermally activated delayed fluorescence emitters for highly efficient sky-blue and orange circularly polarized electroluminescence","Materials Horizons","2021","8","2","547","555","10.1039/D0MH01521K","","x-ray","1.54184","CuKα","","0.0519","0.0418","","","0.0948","0.101","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559739","18.079","0.0007","30.1771","0.001","14.9963","0.0005","90","","90","","90","","8181.6","0.5","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 -","- C83 H71 F24 N4 O1.5 P4 -","- C332 H284 F96 N16 O6 P16 -","4","1","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.2408","0.2223","","","0.5377","0.5699","","","","","","2.177","","","","has coordinates,has disorder","262730","2021-03-05","02:28:29",""
"1559740","15.95929","0.00017","28.8471","0.0003","8.98775","0.00009","90","","90","","90","","4137.77","0.07","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C38 H40 F12 N2 O4 P2 -","- C38 H40 F12 N2 O4 P2 -","- C152 H160 F48 N8 O16 P8 -","4","0.5","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.0517","0.0484","","","0.1339","0.1373","","","","","","1.056","","","","has coordinates,has disorder","262730","2021-03-05","02:28:29",""
"1559741","37.188","0.002","9.2614","0.0005","10.1379","0.0005","90","","94.648","0.004","90","","3480.1","0.3","293","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 F12 N2 P2 -","- C38 H32 F12 N2 P2 -","- C152 H128 F48 N8 P8 -","4","0.5","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push–pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.0401","0.0336","","","0.0825","0.0879","","","","","","1.045","","","","has coordinates","301780","2025-08-18","21:43:41",""
"1559801","9.54396","0.0002","18.2455","0.0004","5.3266","0.00012","90","","101.883","0.002","90","","907.67","0.03","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 -","- Al0.173 Ca0.184 F0.08 Fe5.399 H1.92 Mg1.244 O23.92 Si8 -","- Al0.346 Ca0.368 F0.16 Fe10.798 H3.84 Mg2.488 O47.84 Si16 -","2","0.25","","Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F.","Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction","IUCrJ","2021","8","1","76","86","10.1107/S2052252520015079","","x-ray","0.30909","synchrotron","","0.0485","0.045","","","0.157","0.1589","","","","","","1.296","","","","has coordinates","261805","2021-02-05","14:55:01",""
"1559802","9.5343","0.0002","18.221","0.0004","5.3202","0.0002","90","","101.846","0.003","90","","904.57","0.04","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 -","- Al0.215 Ca0.172 Fe5.301 H2 Mg1.312 O24 Si8 -","- Al0.43 Ca0.344 Fe10.602 H4 Mg2.624 O48 Si16 -","2","0.25","","Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F.","Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction","IUCrJ","2021","8","1","76","86","10.1107/S2052252520015079","","x-ray","0.30911","synchrotron","","0.0558","0.0536","","","0.1343","0.1353","","","","","","1.232","","","","has coordinates","261805","2021-02-05","14:55:01",""
"1559807","15.4357","","20.01","","4.7994","","90","","91.728","","90","","1481.71","","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Kaatialaite","","","- As3 Fe H16 O17 -","- As3 Fe H16 O17 -","- As12 Fe4 H64 O68 -","4","1","","Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub","Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction","IUCrJ","2021","8","1","116","123","10.1107/S2052252520015626","","electron","0.0251","electron","","0.4453","0.1082","","","0.1007","0.1272","","","","0","0","1.27","","","","has coordinates","261804","2021-02-05","14:54:53",""
"1559957","18.7488","","7.1526","","29.1812","","90","","93.7725","","90","","3904.8","","298","","298","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.10945 S -","- C112 H64 N16 Na16 O81.7512 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1659","0.0548","","","0.0489","0.0567","","","","2.32","2.32","1.74","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559958","18.747","","7.1519","","29.1807","","90","","93.7723","","90","","3903.97","","298","","298","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.10945 S -","- C112 H64 N16 Na16 O81.7512 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1347","0.0539","","","0.0512","0.0563","","","","2.55","2.55","1.95","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559959","18.6705","","7.123","0.0001","29.1292","0.0001","90","","93.6645","","90","","3865.97","0.06","210","","210","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1094 S -","- C112 H64 N16 Na16 O81.7504 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1159","0.0518","","","0.0505","0.0544","","","","2.53","2.53","2.04","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559960","18.5979","","7.0922","","29.0731","","90","","93.5819","0.0001","90","","3827.25","0.0004","90","","90","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1094 S -","- C112 H64 N16 Na16 O81.7504 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.0883","0.0486","","","0.0511","0.0534","","","","2.73","2.73","2.32","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559961","18.5729","0.0001","7.0819","0.0001","29.0233","0.0001","89.9808","0.0013","93.511","0.0001","89.9763","0.0014","3810.31","0.06","40","","40","","","","","","","","","6","C -1","-C 1","2","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1091 S -","- C112 H64 N16 Na16 O81.7456 S16 -","16","","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1065","0.0582","","","0.059","0.061","","","","3","3","2.49","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1560041","7.7162","0.0008","8.9727","0.0009","16.9089","0.0017","86.559","0.006","78.838","0.006","66.314","0.005","1051.59","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C40 H44 N8 O16 -","2","2","YC5029","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0673","0.0477","","","0.1004","0.1272","","","","","","1.052","","","","has coordinates","301787","2025-08-18","22:19:31",""
"1560042","7.658","0.002","9.277","0.003","15.152","0.005","79.304","0.006","82.008","0.006","65.214","0.005","958","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N4 O4 -","- C18 H23 N4 O4 -","- C36 H46 N8 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.127","0.0781","","","0.2296","0.2532","","","","","","1.109","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560043","9.2447","0.0009","14.4694","0.0013","19.3202","0.0018","93.232","0.007","102.634","0.007","97.795","0.007","2488.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N3 O3.99 -","- C32 H23 N3 O3.9875 -","- C128 H92 N12 O15.95 -","4","2","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.089","0.0567","","","0.1419","0.1588","","","","","","1.035","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560044","8.7482","0.0014","14.926","0.003","10.2464","0.0017","90","","110.165","0.008","90","","1255.9","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0924","0.0566","","","0.162","0.1989","","","","","","1.02","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560045","7.7638","0.0014","8.5897","0.0015","12.723","0.002","105.585","0.007","102.978","0.007","95.062","0.007","786.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C38 H30 N6 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.089","0.053","","","0.1414","0.1769","","","","","","1.035","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560046","7.3217","0.0008","11.6513","0.0013","13.9987","0.0016","105.915","0.007","102.665","0.007","91.242","0.006","1116.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O4 -","- C26 H21 N5 O4 -","- C52 H42 N10 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0519","0.0397","","","0.0945","0.1041","","","","","","1.045","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560047","7.4323","0.001","9.1138","0.0012","14.562","0.002","106.397","0.007","103.133","0.007","90.486","0.006","918.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N8 O8 -","- C42 H34 N8 O8 -","- C42 H34 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0582","0.0453","","","0.1266","0.1424","","","","","","1.07","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560048","17.802","0.003","7.5355","0.0011","12.5671","0.0019","90","","91.187","0.006","90","","1685.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1016","0.0736","","","0.1832","0.1989","","","","","","1.086","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560049","17.9122","0.0013","7.4259","0.0005","12.1765","0.0008","90","","92.337","0.007","90","","1618.3","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0563","0.0425","","","0.1008","0.1078","","","","","","1.027","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560050","18.213","0.003","7.2967","0.0013","11.94","0.002","90","","92.967","0.007","90","","1584.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O4 -","- C16 H13 N5 O4 -","- C64 H52 N20 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0743","0.0577","","","0.1393","0.1492","","","","","","1.039","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560051","7.7563","0.0012","8.1082","0.0013","16.24","0.003","97.387","0.007","95.164","0.007","95.007","0.007","1003.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N5 O4 -","- C20 H25 N5 O4 -","- C40 H50 N10 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0722","0.0557","","","0.1332","0.1444","","","","","","1.077","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560052","10.1301","0.0013","12.6967","0.0017","10.3338","0.0014","90","","99.17","0.007","90","","1312.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0457","0.0382","","","0.0898","0.0938","","","","","","1.034","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560053","7.7925","0.0013","12.885","0.002","12.398","0.002","90","","104.054","0.007","90","","1207.6","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H26 N3 O4 -","- C29 H26 N3 O4 -","- C58 H52 N6 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1464","0.0905","","","0.2407","0.276","","","","","","1.051","","","","has coordinates,has disorder","262771","2021-03-05","18:43:31",""
"1560054","13.337","0.003","13.504","0.003","16.069","0.003","75.831","0.005","66.422","0.005","67.934","0.005","2442.9","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H50 N6 O8 -","- C58 H50 N6 O8 -","- C116 H100 N12 O16 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.2019","0.0873","","","0.2244","0.2836","","","","","","1.039","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560055","7.5319","0.0007","8.6425","0.0008","15.3925","0.0014","78.729","0.006","75.782","0.005","89.099","0.006","951.99","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H46 N8 O8 -","- C40 H46 N8 O8 -","- C40 H46 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0526","0.0432","","","0.114","0.1237","","","","","","1.066","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560056","7.4104","0.0007","8.8964","0.0009","15.7722","0.0015","95.531","0.007","101.446","0.007","111.676","0.008","930.47","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N8 O8 -","- C38 H42 N8 O8 -","- C38 H42 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0682","0.0517","","","0.1371","0.1503","","","","","","1.055","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560057","7.6512","0.0011","8.9495","0.0013","18.121","0.003","87.883","0.006","78.725","0.006","65.728","0.005","1108","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N3 O4 S2 -","- C22 H23 N3 O4 S2 -","- C44 H46 N6 O8 S4 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0892","0.0671","","","0.1878","0.2055","","","","","","1.066","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560058","7.684","0.0018","9.266","0.002","18.043","0.004","96.343","0.007","94.419","0.007","107.054","0.007","1212.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N6 O8 -","- C62 H50 N6 O8 -","- C62 H50 N6 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.1418","0.0855","","","0.2084","0.2544","","","","","","0.95","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560059","7.7634","0.0012","8.9486","0.0014","16.368","0.003","83.021","0.006","82.842","0.006","88.111","0.006","1119.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N8 O8 -","- C50 H52 N8 O8 -","- C50 H52 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0865","0.063","","","0.1944","0.2061","","","","","","1.105","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560060","7.5543","0.0017","8.914","0.002","14.713","0.003","85.797","0.007","88.497","0.006","89.487","0.006","987.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N8 O8 -","- C42 H42 N8 O8 -","- C42 H42 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1221","0.0629","","","0.1624","0.1925","","","","","","1.032","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560061","7.504","0.003","9.428","0.004","14.102","0.006","94.052","0.008","91.192","0.007","90.498","0.008","994.9","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N8 O8 -","- C42 H40 N8 O8 -","- C42 H40 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.2708","0.0931","","","0.1895","0.2601","","","","","","0.944","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560062","7.489","0.003","9.107","0.003","14.187","0.005","97.784","0.007","93.611","0.007","90.872","0.006","956.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N6 O8 S2 -","- C40 H40 N6 O8 S2 -","- C40 H40 N6 O8 S2 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.1682","0.089","","","0.2229","0.2651","","","","","","1.08","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560063","7.514","0.003","9.272","0.003","13.852","0.005","83.832","0.007","89.887","0.007","88.173","0.007","959","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 N6 O8 S2 -","- C40 H38 N6 O8 S2 -","- C40 H38 N6 O8 S2 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1301","0.0784","","","0.2175","0.2416","","","","","","1.108","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560064","7.4741","0.0015","9.2215","0.0019","14.295","0.003","96.245","0.007","92.609","0.007","92.314","0.007","977.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H41 N7 O8 S -","- C41 H41 N7 O8 S -","- C41 H41 N7 O8 S -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0973","0.0697","","","0.1577","0.1704","","","","","","1.134","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560065","7.4078","0.0012","9.3192","0.0015","13.815","0.002","94.239","0.007","91.445","0.006","90.299","0.006","950.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 N7 O8 S -","- C41 H39 N7 O8 S -","- C41 H39 N7 O8 S -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0971","0.058","","","0.1265","0.1459","","","","","","1.046","","","","has coordinates,has disorder","262771","2021-03-05","18:43:31",""
"1560066","9.302","0.003","9.394","0.002","17.66","0.006","90","","104.075","0.016","90","","1496.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 N2 O2 -","- C14 H16 Cl2 N2 O2 -","- C56 H64 Cl8 N8 O8 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1639","0.0791","","","0.1969","0.339","","","","","","1.012","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560067","10.807","0.005","12.145","0.005","12.466","0.006","108.22","0.008","104.061","0.007","101.072","0.007","1442.4","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H48 Cl4 N10 O4 -","- C72 H48 Cl4 N10 O4 -","- C72 H48 Cl4 N10 O4 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1675","0.088","","","0.2076","0.2692","","","","","","0.974","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560068","8.188","0.012","15.73","0.02","11.247","0.016","90","","110.491","0.016","90","","1357","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 N2 O2 -","- C12 H12 Cl2 N2 O2 -","- C48 H48 Cl8 N8 O8 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0925","0.0666","","","0.1824","0.2057","","","","","","1.04","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560069","42.727","0.011","8.899","0.003","22.92","0.006","90","","114.062","0.008","90","","7958","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Cl4 N4 O4 -","- C44 H42 Cl4 N4 O4 -","- C352 H336 Cl32 N32 O32 -","8","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0929","0.0525","","","0.1038","0.117","","","","","","1.019","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560070","33.873","0.007","10.374","0.002","18.332","0.004","90","","91.186","0.006","90","","6440","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 Cl4 N4 O4 -","- C84 H54 Cl4 N4 O4 -","- C336 H216 Cl16 N16 O16 -","4","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.201","0.0776","","","0.161","0.205","","","","","","1.048","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560071","8.8453","0.0013","10.4891","0.0015","12.694","0.0019","94.129","0.007","94.866","0.007","98.239","0.007","1157.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cl2 N2 O2 -","- C28 H22 Cl2 N2 O2 -","- C56 H44 Cl4 N4 O4 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0599","0.0428","","","0.1188","0.1471","","","","","","1.078","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560072","17.219","0.005","22.693","0.007","18.331","0.005","90","","91.312","0.006","90","","7161","4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H66 Cl8 N8 O8 -","- C80 H66 Cl8 N8 O8 -","- C320 H264 Cl32 N32 O32 -","4","2","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1864","0.1229","","","0.3145","0.359","","","","","","1.026","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560127","11.127","0.002","15.964","0.003","16.195","0.003","73.91","0.03","72.41","0.03","73.02","0.03","2565.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20.5 Cl0.5 O S2 -","- C33 H20.5 Cl0.5 O S2 -","- C132 H82 Cl2 O4 S8 -","4","2","","Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei","Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators","Materials Horizons","2021","8","4","1207","1215","10.1039/D0MH01679A","","","1.54178","CuKα","","0.1718","0.1582","","","0.5024","0.5178","","","","","","4.515","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1560128","10.5404","0.0004","10.8365","0.0004","13.1815","0.0007","92.262","0.004","108.487","0.004","97.789","0.003","1409.28","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H18 O S4 -","- C34 H17.5 O S4 -","- C68 H35 O2 S8 -","2","1","","Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei","Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators","Materials Horizons","2021","8","4","1207","1215","10.1039/D0MH01679A","","x-ray","1.54184","CuKα","","0.0523","0.0483","","","0.1215","0.1253","","","","","","1.042","","","","has coordinates,has disorder","264969","2021-05-05","09:08:53",""
"1560131","19.932","0.004","4.461","0.0009","24.275","0.005","90","","97.73","0.03","90","","2138.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O10 -","- C23 H20 N4 O10 -","- C92 H80 N16 O40 -","4","1","","Xia, Yanming; Wei, Yuanfeng; Chen, Hui; Qian, Shuai; Zhang, Jianjun; Gao, Yuan","Competitive cocrystallization and its application in the separation of flavonoids","IUCrJ","2021","8","2","195","207","10.1107/S2052252520015997","","","0.71073","MoKα","","0.1382","0.0683","","","0.1569","0.1902","","","","","","1.002","","","","has coordinates","301787","2025-08-18","22:19:32",""
"1560481","8.09943","0.00019","31.2756","0.0009","13.9351","0.0005","90","","98.024","0.003","90","","3495.4","0.18","294.1","0.3","294.1","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Cl2 N2 O2 -","- C43 H34 Cl2 N2 O2 -","- C172 H136 Cl8 N8 O8 -","4","1","","Huang, Quan; Guo, Qiang; Lan, Jingbo; Su, Rongchuan; Ran, You; Yang, Yudong; Bin, Zhengyang; You, Jingsong","Mechanically induced single-molecule white-light emission of excited-state intramolecular proton transfer (ESIPT) materials","Materials Horizons","2021","8","5","1499","1508","10.1039/D0MH02032J","","x-ray","1.54184","CuKα","","0.078","0.0662","","","0.1847","0.2029","","","","","","1.025","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560482","10.5918","0.0004","11.6746","0.0005","13.726","0.0005","103.723","0.003","94.505","0.003","107.201","0.004","1554.74","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H32 N2 O2 -","- C42 H32 N2 O2 -","- C84 H64 N4 O4 -","2","1","","Huang, Quan; Guo, Qiang; Lan, Jingbo; Su, Rongchuan; Ran, You; Yang, Yudong; Bin, Zhengyang; You, Jingsong","Mechanically induced single-molecule white-light emission of excited-state intramolecular proton transfer (ESIPT) materials","Materials Horizons","2021","8","5","1499","1508","10.1039/D0MH02032J","","x-ray","1.54184","CuKα","","0.0616","0.0568","","","0.149","0.1563","","","","","","1.024","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560861","6.4256","0.0006","7.7129","0.0008","11.9856","0.0011","98.709","0.008","101.8","0.008","104.3","0.008","550.52","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N2 Ni O2 -","- C26 H32 N2 Ni O2 -","- C26 H32 N2 Ni O2 -","1","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0592","0.0496","","","0.1056","0.1094","","","","","","1.151","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560862","6.4641","0.0004","7.7224","0.0005","11.9925","0.0007","97.647","0.005","101.861","0.005","105.261","0.005","553.99","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cu N2 O2 -","- C26 H32 Cu N2 O2 -","- C26 H32 Cu N2 O2 -","1","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0252","0.0251","","","0.0692","0.0693","","","","","","1.103","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560863","6.0847","0.0003","10.5704","0.0007","20.8597","0.0011","90","","97.882","0.004","90","","1328.97","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N2 Ni O2 -","- C34 H36 N2 Ni O2 -","- C68 H72 N4 Ni2 O4 -","2","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0527","0.0372","","","0.0806","0.0879","","","","","","1.106","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560864","11.0325","0.001","5.6889","0.0003","21.554","0.002","90","","99.41","0.007","90","","1334.59","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cu N2 O2 -","- C34 H36 Cu N2 O2 -","- C68 H72 Cu2 N4 O4 -","2","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0455","0.0373","","","0.0812","0.0842","","","","","","1.137","","","","has coordinates","301787","2025-08-18","22:19:33",""
"1560987","19.052","0.007","7.75","0.003","8.289","0.003","90","","93.016","0.018","90","","1222.2","0.8","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl4 N10 O4 Pb -","- C12 H24 Cl4 N10 O4 Pb -","- C24 H48 Cl8 N20 O8 Pb2 -","2","0.5","","Lédée, Ferdinand; Audebert, Pierre; Trippé-Allard, Gaëlle; Galmiche, Laurent; Garrot, Damien; Marrot, Jérôme; Lauret, Jean-Sébastien; Deleporte, Emmanuelle; Katan, Claudine; Even, Jacky; Quarti, Claudio","Tetrazine molecules as an efficient electronic diversion channel in 2D organic‒inorganic perovskites","Materials Horizons","2021","8","5","1547","1560","10.1039/D0MH01904F","","","0.71073","MoKα","","0.0681","0.056","","","0.14","0.1468","","","","","","1.159","","","","has coordinates,has disorder","266183","2021-06-05","19:33:50",""
"1562419","9.6146","0.0005","16.2601","0.0008","18.3252","0.0009","110.783","0.005","90.71","0.004","101.904","0.004","2609.4","0.2","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N O2 -","- C36 H29 N O2 -","- C144 H116 N4 O8 -","4","2","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","0.71073","MoKα","","0.2122","0.0656","","","0.1038","0.1542","","","","","","0.939","","","","has coordinates","301787","2025-08-18","22:19:35",""
"1562420","9.25345","0.00019","34.5061","0.0006","8.13039","0.00016","90","","106.251","0.002","90","","2492.31","0.09","296.82","0.11","296.82","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N O2 -","- C35 H27 N O2 -","- C140 H108 N4 O8 -","4","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0694","0.0623","","","0.1669","0.1755","","","","","","1.054","","","","has coordinates","301787","2025-08-18","22:19:35",""
"1562421","9.7712","0.00017","15.2854","0.0002","16.9918","0.0003","90","","100.166","0.0016","90","","2498","0.07","296.1","0.8","296.1","0.8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0767","0.0665","","","0.1888","0.2083","","","","","","1.047","","","","has coordinates","301787","2025-08-18","22:19:35",""
"1562422","9.2312","0.0005","10.2169","0.0007","14.6844","0.0008","76.439","0.005","87.971","0.005","67.26","0.006","1239.33","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H27 N O2 -","- C35 H27 N O2 -","- C70 H54 N2 O4 -","2","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0696","0.0584","","","0.1517","0.1664","","","","","","1.04","","","","has coordinates","301787","2025-08-18","22:19:35",""
"1563356","6.7493","0.0001","10.072","0.0001","20.462","0.006","90","","94.781","0.001","90","","1386.1","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0441","0.0441","","","0.0862","0.0872","","","","","","1.139","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563357","6.7637","","10.0716","","20.4697","0.0002","90","","94.79","","90","","1389.55","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","1.54184","","","0.028","0.028","","","0.0374","0.039","","","","","","1.083","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563358","6.7832","","10.0779","","20.4867","0.0002","90","","94.754","","90","","1395.66","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","","","0.0301","0.0301","","","0.0371","0.0389","","","","","","0.982","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1563359","6.7983","","10.0786","","20.4949","0.0002","90","","94.744","","90","","1399.44","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","1.54184","","","0.0314","0.0314","","","0.0381","0.0394","","","","","","1.271","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563360","6.8159","","10.0882","","20.5143","","90","","94.74","","90","","1405.74","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0377","0.0377","","","0.034","0.0369","","","","","","0.94","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1563361","6.8491","","10.096","0.0002","20.5281","0.0003","90","","94.735","","90","","1414.64","0.03","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0408","0.0408","","","0.0356","0.0378","","","","","","1.111","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563362","6.855","","10.0998","","20.5333","0.0002","90","","94.69","","90","","1416.84","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0426","0.0426","","","0.0334","0.0357","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563363","6.8717","0.0001","10.105","0.0001","20.5512","0.0002","90","","94.688","0.001","90","","1422.27","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0441","0.0441","","","0.0414","0.0463","","","","","","0.832","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563364","6.8752","","10.1004","0.0002","20.5391","0.0004","90","","94.709","0.002","90","","1421.47","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0432","0.0432","","","0.0384","0.0427","","","","","","0.84","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563365","6.9337","0.0008","10.1217","0.0007","20.599","0.002","90","","94.713","0.009","90","","1440.8","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0418","0.0418","","","0.0267","0.0284","","","","","","0.408","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563366","6.9626","0.0001","10.1312","0.0009","20.609","0.002","90","","94.7","","90","","1448.86","0.19","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0567","0.0567","","","0.0518","0.0537","","","","","","1.328","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563367","6.8312","0.0004","10.0839","0.0001","20.5232","0.0001","90","","94.635","0.006","90","","1409.12","0.08","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1295","0.1295","","","0.0576","0.0799","","","","","","0.733","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563368","6.7445","0.0003","10.0486","0.0001","20.4539","0.0001","90","","94.589","0.004","90","","1381.77","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1308","0.1308","","","0.0689","0.0962","","","","","","1.804","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563369","6.6277","0.0004","10.005","0.0001","20.3418","0.0001","90","","94.609","0.005","90","","1344.51","0.08","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1231","0.1231","","","0.0633","0.0715","","","","","","1.27","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563370","6.5155","0.0003","9.9444","0.0001","20.2293","0.0001","90","","94.662","0.004","90","","1306.38","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1119","0.1119","","","0.0611","0.0723","","","","","","1.373","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563371","6.4387","0.0002","9.9135","0.0001","20.1349","0.0001","90","","94.729","0.003","90","","1280.84","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1167","0.1167","","","0.0683","0.0853","","","","","","1.565","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563372","6.259","0.0002","9.8519","0.0001","19.8571","0.0001","90","","95.624","0.004","90","","1218.56","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1108","0.1108","","","0.0766","0.0935","","","","","","1.588","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563373","6.2058","0.0003","9.8299","0.0001","19.7739","0.0001","90","","95.781","0.005","90","","1200.12","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.103","0.103","","","0.0663","0.079","","","","","","1.623","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563693","6.428","0.006","6.641","0.006","8.612","0.008","90","","108.07","0.02","90","","349.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","KYGeS4","","- Ge K S4 Y -","- Ge K S4 Y -","- Ge2 K2 S8 Y2 -","2","1","","Mei, Dajiang; Cao, Wangzhu; Wang, Naizheng; Jiang, Xingxing; Zhao, Jun; Wang, Weikang; Dang, Junhui; Zhang, Shiyan; Wu, Yuandong; Rao, Pinhua; Lin, Zheshuai","Breaking through the “3.0 eV wall” of energy band gap in mid-infrared nonlinear optical rare earth chalcogenides by charge-transfer engineering","Materials Horizons","2021","8","8","2330","2334","10.1039/D1MH00562F","","","0.71073","MoKα","","0.0158","0.0152","","","0.0339","0.0341","","","","","","0.907","","","","has coordinates","268968","2021-09-06","12:42:09",""
"1563907","5.696","0.004","5.696","0.004","9.387","0.004","90","","90","","120","","263.8","0.3","293","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Ga1.069 O8 V3.931 -","- Ga1.069 O8 V3.931 -","- Ga2.138 O16 V7.862 -","2","0.166667","","Aguilar-Maldonado, Cintli; Mentré, Olivier; Tsirlin, Alexander A.; Ritter, Clemens; Missiul, Aleksandr; Fauth, Francois; Arévalo-López, Angel M.","Hybrid electrons in the trimerized GaV4O8","Materials Horizons","2021","8","8","2325","2329","10.1039/D1MH00390A","","x-ray","0.56087","AgKα","","0.0344","0.0238","","","0.0449","0.0485","","","","1.19","1.19","1.18","","","","has coordinates","268967","2021-09-06","12:41:54",""
"1564497","9.9071","0.0004","12.7019","0.0005","14.1556","0.0006","90","","92.824","0.002","90","","1779.16","0.13","20","2","20","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl2 Co N4 S2 -","- C10 H24 Cl2 Co N4 S2 -","- C40 H96 Cl8 Co4 N16 S8 -","4","1","","Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob","Quantifying magnetic anisotropy using X-ray and neutron diffraction","IUCrJ","2021","8","5","","","10.1107/S2052252521008290","","","0.2486","synchrotron","","0.07","0.014","","","","0.031","","","","","","1.021","","","","has coordinates","268341","2021-09-01","02:08:36",""
"1564498","9.798","0.004","12.961","0.008","14.636","0.006","90","","92.363","0.008","90","","1857.1","1.6","20","2","20","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Br2 Co N4 S2 -","- C10 H24 Br2 Co N4 S2 -","- C40 H96 Br8 Co4 N16 S8 -","4","1","","Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob","Quantifying magnetic anisotropy using X-ray and neutron diffraction","IUCrJ","2021","8","5","","","10.1107/S2052252521008290","","","0.2486","synchrotron","","0.056","0.014","","","","0.029","","","","","","0.993","","","","has coordinates","268341","2021-09-01","02:08:40",""
"1564539","14.806","0.0007","15.4949","0.0007","17.248","0.0008","111.348","0.001","112.174","0.001","95.359","0.001","3288.5","0.3","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C40 H53 N O2 -","- C40 H53 N O2 -","- C160 H212 N4 O8 -","4","4","","Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong","Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.","Materials horizons","2021","8","10","2816","2822","10.1039/d1mh00956g","","x-ray","0.71073","MoKα","","0.0501","0.0411","","","0.101","0.1073","","","","","","1.014","","","","has coordinates,has disorder","269791","2021-10-06","16:23:04",""
"1564540","19.8231","0.0007","7.5996","0.0002","24.2836","0.0008","90","","112.008","0.004","90","","3391.7","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H53 N O2 -","- C40 H53 N O2 -","- C160 H212 N4 O8 -","4","1","","Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong","Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.","Materials horizons","2021","8","10","2816","2822","10.1039/d1mh00956g","","x-ray","1.54184","CuKα","","0.0768","0.0727","","","0.2107","0.2171","","","","","","1.085","","","","has coordinates","269791","2021-10-06","16:23:05",""
"1564910","16.3069","0.0011","16.3069","0.0011","52.852","0.004","90","","90","","90","","14054.1","1.7","150","2","150.15","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C24 H15 Br3 Fe3 O16 -","- C24 Br3 Fe3 O16 -","- C192 Br24 Fe24 O128 -","8","0.25","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.114","0.0843","","","0.248","0.2759","","","","","","1.047","","","","has coordinates,has disorder","271237","2021-12-07","04:03:49",""
"1564911","6.8403","0.0012","10.7142","0.0018","10.7928","0.0018","117.292","0.006","94.188","0.007","103.254","0.006","669.5","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 Fe O5 -","- C8 H5 Fe O5 -","- C16 H10 Fe2 O10 -","2","1","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0826","0.0599","","","0.1295","0.1366","","","","","","1.04","","","","has coordinates","271237","2021-12-07","04:03:52",""
"1564912","12.6391","0.0008","12.6391","0.0008","18.3551","0.0014","90","","90","","120","","2539.3","0.3","150","","150","","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C33 H33 B F4 Fe3 N3 O16 -","- C33 H24 B0.9999 F3.9996 Fe3 N3 O16 -","- C66 H48 B1.9998 F7.9992 Fe6 N6 O32 -","2","0.166667","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0562","0.0551","","","0.1384","0.139","","","","","","1.181","","","","has coordinates,has disorder","271237","2021-12-07","04:03:54",""
"1564913","19.4334","0.0019","7.2431","0.0007","8.7675","0.0009","90","","90","","90","","1234.1","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Fe N O5 -","- C11 H11 Fe N O5 -","- C44 H44 Fe4 N4 O20 -","4","0.5","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0357","0.0323","","","0.0939","0.0967","","","","","","1.119","","","","has coordinates,has disorder","271237","2021-12-07","04:03:54",""
"1564914","13.9105","0.0012","13.9105","0.0012","17.6608","0.0013","90","","90","","120","","2959.6","0.4","150","","150","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C24 H17 Fe3 O16 -","- C24 H12 Fe3 O16 -","- C48 H24 Fe6 O32 -","2","0.0833333","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0437","0.0391","","","0.1176","0.1239","","","","","","1.115","","","","has coordinates","271237","2021-12-07","04:03:54",""
"1564941","8.2902","0.0001","12.9328","0.0001","29.8623","0.0002","90","","90","","90","","3201.7","0.05","170.01","0.18","170.01","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 N4 O -","- C43 H32 N4 O -","- C172 H128 N16 O4 -","4","1","","Zhang, Da-Wei; Teng, Jin-Ming; Wang, Yin-Feng; Han, Xiao-Ni; Li, Meng; Chen, Chuan-Feng","D-π*-A type planar chiral TADF materials for efficient circularly polarized electroluminescence.","Materials horizons","2021","8","12","3417","3423","10.1039/d1mh01404h","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.081","0.0817","","","","","","1.031","","","","has coordinates","271238","2021-12-07","04:04:02",""
"1564942","7.21024","0.00018","16.4876","0.0005","11.2792","0.0003","90","","90","","90","","1340.87","0.06","100","0.11","100","0.11","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","FC5056","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.0759","0.0374","","","0.0554","0.0616","","","","","","0.9394","","","","has coordinates","269978","2021-10-16","02:10:39",""
"1564943","7.2462","0.0011","16.536","0.003","11.255","0.003","90","","90","","90","","1348.6","0.5","293.4","0.5","293.4","0.5","","","247000","","","Pressurized to 0.2 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.1329","0.0547","","","0.108","0.1352","","","","","","1.0221","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564944","7.15","0.01","16.17","0.03","11.288","0.009","90","","90","","90","","1305","3","295.4","0.6","295.4","0.6","","","520500","","","Pressurized to 0.5 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.0932","0.0341","","","0.0487","0.0602","","","","","","0.9283","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564945","7.0642","0.0011","16.22","0.002","11.165","0.002","90","","90","","90","","1279.3","0.3","289","10","289","10","","","782500","","","Pressurized to 0.8 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.135","0.0561","","","0.1229","0.1529","","","","","","1.0348","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564946","7.03","0.0009","16.147","0.002","11.1214","0.0019","90","","90","","90","","1262.4","0.3","293","2","293","2","","","969500","","","Pressurized to 1.0 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1323","0.0652","","","0.1388","0.1616","","","","","","1.022","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564947","7.0202","0.0015","16.0775","0.0018","11.161","0.0016","90","","90","","90","","1259.7","0.4","295.4","0.9","295.4","0.9","","","1157500","","","Pressurized to 1.2 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1502","0.0753","","","0.1626","0.1997","","","","","","0.992","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564948","6.9714","0.0016","16.139","0.005","11.072","0.003","90","","90","","90","","1245.7","0.6","294","2","294","2","","","1298000","","","Pressurized to 1.3 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1909","0.0892","","","0.2154","0.2581","","","","","","1.012","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564949","6.8697","0.0019","15.96","0.002","11.1099","0.0018","90","","90","","95.074","0.017","1213.3","0.4","295.4","0.4","295.4","0.4","","","2029000","","","Pressurized to 2.0 GPa and left to stabilize over 24 hours.","","3","P 1 1 21/a","-P 2ac","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.2303","0.0813","","","0.1556","0.1843","","","","","","0.868","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1565090","19.2135","0.0003","19.2135","0.0003","12.0481","0.0002","90","","90","","120","","3851.79","0.11","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","K2Ba3Li6Ga28S49","","","- Ba3 Ga28 K2 Li6 S49 -","- Ba3.01 Ga28 K1.99 Li6 S49 -","- Ba6.02 Ga56 K3.98 Li12 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0178","0.0161","","","0.0333","0.0337","","","","","","1.057","","","","has coordinates","271239","2021-12-07","04:04:11",""
"1565091","19.306","0.0004","19.306","0.0004","12.0861","0.0004","90","","90","","120","","3901.23","0.17","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Cs2Ba3Li6Ga28S49","","","- Ba3 Cs2 Ga28 Li6 S49 -","- Ba3.01 Cs1.99 Ga28 Li6 S49 -","- Ba6.02 Cs3.98 Ga56 Li12 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0275","0.0239","","","0.0546","0.0559","","","","","","1.036","","","","has coordinates","271239","2021-12-07","04:04:12",""
"1565092","19.2355","0.0004","19.2355","0.0004","12.0475","0.0004","90","","90","","120","","3860.42","0.17","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Rb2Ba3Li6Ga28S49","","","- Ba3 Ga28 Li6 Rb2 S49 -","- Ba3.01 Ga28 Li6 Rb1.99 S49 -","- Ba6.02 Ga56 Li12 Rb3.98 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0206","0.018","","","0.0426","0.0435","","","","","","1.016","","","","has coordinates","271239","2021-12-07","04:04:12",""
"1565093","18.9032","0.0003","7.449","0.0001","38.5591","0.0005","90","","96.953","0.001","90","","5389.57","0.13","93","2","93","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene","","- C40 H26 -","- C40 H26 -","- C320 H208 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0411","0.035","","","0.0884","0.0921","","","","","","1.058","","","","has coordinates,has disorder","271236","2021-12-07","04:03:31",""
"1565094","18.8241","0.0003","7.5014","0.0002","38.7559","0.0008","90","","96.531","0.002","90","","5437.1","0.2","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.396 H27.188 O0.198 -","- C323.168 H217.504 O1.584 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0542","0.0425","","","0.1056","0.1129","","","","","","1.053","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565095","18.8388","0.0004","7.4948","0.0002","38.7701","0.0009","90","","96.653","0.002","90","","5437.2","0.2","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.396 H27.188 O0.198 -","- C323.168 H217.504 O1.584 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0641","0.047","","","0.1132","0.1223","","","","","","1.053","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565096","18.8286","0.0003","7.498","0.0001","38.7615","0.0006","90","","96.684","0.001","90","","5435.03","0.14","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.394 H27.182 O0.197 -","- C323.152 H217.456 O1.576 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0476","0.0401","","","0.0991","0.1034","","","","","","1.033","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1567908","13.555","0.002","15.389","0.003","17.007","0.003","77.732","0.003","70.231","0.003","81.83","0.003","3252.8","1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H64.5 Cl N10 Ni2 O4.75 -","- C64 H64.5 Cl N10 Ni2 O4.75 -","- C128 H129 Cl2 N20 Ni4 O9.5 -","2","1","","Nikovskiy, Igor A.; Karnaukh, Kseniia M.; Aleshin, Dmitry Yu.; Spiridonov, Kirill A.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Polezhaev, Alexander V.; Novikov, Valentin V.","Binuclear Nickel Complexes of a New Di(hydroxyphenyl)imidazolate","Magnetochemistry","2022","8","10","132","","10.3390/magnetochemistry8100132","","","0.71073","MoKα","","0.166","0.0794","","","0.1799","0.2188","","","","","","0.955","","","","has coordinates","279055","2022-11-08","03:38:49",""
"1567909","12.2327","0.0003","13.0491","0.0003","20.7742","0.0005","72.935","0.001","77.21","0.001","89.982","0.001","3084","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H61 Cl N10 Ni2 O5 -","- C70 H61 Cl N10 Ni2 O5 -","- C140 H122 Cl2 N20 Ni4 O10 -","2","1","","Nikovskiy, Igor A.; Karnaukh, Kseniia M.; Aleshin, Dmitry Yu.; Spiridonov, Kirill A.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Polezhaev, Alexander V.; Novikov, Valentin V.","Binuclear Nickel Complexes of a New Di(hydroxyphenyl)imidazolate","Magnetochemistry","2022","8","10","132","","10.3390/magnetochemistry8100132","","","0.71073","MoKα","","0.2209","0.0811","","","0.2341","0.2702","","","","","","1.1","","","","has coordinates,has disorder","279056","2022-11-08","03:39:33",""
"1568658","11.338","0.0006","10.7346","0.0005","14.5503","0.001","90","","109.43","0.005","90","","1670.05","0.17","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Meloxicam hydrochloride or 4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazolium-2-yl)-2<i>H</i>-1,2-\ benzothiazine-3-carboxamide 1,1-dioxide chloride","2-(4-Hydroxy-2-methyl-1,1-dioxo-1,2-benzothiazine-3-amido)-5-methyl-1,3-thiazol-3-ium chloride","","- C14 H14 Cl N3 O4 S2 -","- C14 H14 Cl N3 O4 S2 -","- C56 H56 Cl4 N12 O16 S8 -","4","1","BX4023","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","Meloxicam hydrochloride","IUCrData","2023","8","3","x230202","","10.1107/S241431462300202X","","x-ray","0.56083","AgKα","","0.0721","0.0324","","","0.0652","0.0736","","","","","","0.832","","","","has coordinates","281868","2023-03-14","03:25:59",""
"1568659","8.4129","0.0001","22.9217","0.0004","8.6719","0.0001","90","","117.417","0.001","90","","1484.44","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","VM4058","El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one","IUCrData","2023","8","3","x230208","","10.1107/S2414314623002080","","","1.54178","CuKα","","0.0322","0.0299","","","0.0783","0.0801","","","","","","1.042","","","","has coordinates","281869","2023-03-14","03:26:28",""
"1568673","7.75558","0.0001","9.02843","0.0001","15.5656","0.0002","90","","90","","90","","1089.91","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-ol","","- C12 H13 F3 O2 -","- C12 H13 F3 O2 -","- C48 H52 F12 O8 -","4","1","TK4089","Radan, Kristian; Cotman, Andrej Emanuel; Lozinšek, Matic","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","IUCrData","2023","8","3","x230217","","10.1107/S2414314623002171","","x-ray","1.54184","CuKα","","0.0291","0.0288","","","0.0725","0.0727","","","","","","1.064","","","","has coordinates","281914","2023-03-16","03:37:12",""
"1568797","10.874","0.0008","7.0136","0.0006","12.2891","0.0012","90","","92.313","0.005","90","","936.48","0.14","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Methoxy-3-nitrophenyl)acetamide","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","HB4429","Hines III, James E.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.; Uppu, Rao M.","N-(4-Methoxy-3-nitrophenyl)acetamide","IUCrData","2023","8","4","x230298","","10.1107/S2414314623002985","","","1.54184","CuKα","","0.073","0.0588","","","0.1659","0.1762","","","","","","1.075","","","","has coordinates,has disorder","300370","2025-07-05","10:12:56",""
"1568824","8.436","0.002","10.75","0.003","11.338","0.003","113.913","0.005","97.392","0.004","98.975","0.005","907.2","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","","- C15 H13 F3 I N O7 -","- C15 H13 F3 I N O7 -","- C30 H26 F6 I2 N2 O14 -","2","1","TK4090","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","IUCrData","2023","8","4","x230300","","10.1107/S2414314623003000","","x-ray","0.71073","MoKα","","0.0925","0.0601","","","0.1307","0.1445","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:12:56",""
"1568825","10.7366","0.0003","9.5341","0.0004","22.6716","0.0007","90","","91.603","0.002","90","","2319.84","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{<i>N</i>-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","","- C28 H23 N O4 Si -","- C28 H23 N O4 Si -","- C112 H92 N4 O16 Si4 -","4","1","PK4039","Böhme, Uwe; Fels, Sabine","{N-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","IUCrData","2023","8","4","x230306","","10.1107/S2414314623003061","","","0.71073","MoKα","","0.0432","0.0365","","","0.0892","0.0947","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:12:57",""
"1568866","9.33514","0.00008","11.39118","0.00009","13.23961","0.00011","90","","90","","90","","1407.88","0.02","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trimethylphosphine oxide dihydrate","(Dimethylphosphoryl)methane dihydrate","","- C3 H13 O3 P -","- C3 H13 O3 P -","- C24 H104 O24 P8 -","8","1","HB4428","Urlep, Matic; Cerkovnik, Janez; Lozinšek, Matic","Trimethylphosphine oxide dihydrate","IUCrData","2023","8","4","x230314","","10.1107/S2414314623003140","","x-ray","1.54184","CuKα","","0.0212","0.0208","","","0.0571","0.0574","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:12:57",""
"1568933","19.2935","0.0007","4.6933","0.0002","18.7498","0.0007","90","","116.106","0.002","90","","1524.59","0.11","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Methyl-2-oxoquinoxalin-1-yl)-<i>N</i>-(4-methylphenyl)acetamide","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","VM4060","Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide","IUCrData","2023","8","4","x230357","","10.1107/S2414314623003577","","","1.54178","CuKα","","0.0706","0.057","","","0.1475","0.1577","","","","","","1.041","","","","has coordinates,has disorder","300370","2025-07-05","10:12:58",""
"1568934","17.8815","0.0013","12.5896","0.001","20.3917","0.0016","90","","112.01","0.0016","90","","4256","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-2,2'-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[<i>c</i>]pyrrol-5-one]}bis[tricarbonyliron(0)]","","- C34 H48 Fe2 N2 O8 Si4 -","- C34 H48 Fe2 N2 O8 Si4 -","- C136 H192 Fe8 N8 O32 Si16 -","4","1","BH4073","Huerta-Zerón, Hilario D.; Spannenberg, Anke; Beller, Matthias; Junge, Henrik","{μ-2,2′-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one]}bis[tricarbonyliron(0)]","IUCrData","2023","8","4","x230346","","10.1107/S2414314623003462","","","0.71073","MoKα","","0.07","0.038","","","0.083","0.0962","","","","","","1.001","","","","has coordinates","300370","2025-07-05","10:12:58",""
"1568935","6.3829","0.0007","12.6897","0.0008","15.9539","0.0017","90","","101.308","0.008","90","","1267.1","0.2","153","1","153","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(23<i>R</i>,23^1^<i>S</i>,25<i>S</i>)-23^1^,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","","- C29 H46 O3 -","- C29 H46 O3 -","- C58 H92 O6 -","2","1","BT4138","Guerrero-Luna, Gabriel; Hernández-Linares, María-Guadalupe; Cárdenas García, Maura; Bernès, Sylvain","(23R,231 S,25S)-231,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","IUCrData","2023","8","4","x230344","","10.1107/S2414314623003449","","x-ray","0.56083","AgKα","","0.1039","0.0425","","","0.0656","0.0769","","","","","","0.702","","","","has coordinates","300370","2025-07-05","10:12:58",""
"1568936","10.0432","0.0005","12.7045","0.0006","14.3846","0.0007","81.305","0.004","84.313","0.004","82.068","0.004","1791.19","0.15","153","2","153","","","","","","","","","4","P -1","-P 1","2","","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","","- C12 H24 B N -","- C12 H24 B N -","- C72 H144 B6 N6 -","6","3","IM4018","Herbig, Marcus; Böhme, Uwe","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","IUCrData","2023","8","4","x230332","","10.1107/S2414314623003322","","","0.71073","MoKα","","0.0572","0.0432","","","0.1035","0.1153","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:12:59",""
"1568964","8.3546","0.0004","12.4468","0.0005","15.4504","0.0006","85.54","0.002","79.66","0.002","76.997","0.002","1538.86","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","Bis{μ-1,1'-(<i>o</i>-xylylene)bis[4-(pyridin-2-yl)triazole]-κ<i>N</i>^3^:<i>N</i>^3'^}dipalladium(II) tetrakis(tetrafluoridoborate)–dimethylformamide–diethyl ether (1/2/1)","","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","1","0.5","","Pokharel, Uttam; Naquin, Aaron; Fronczek, Frank","Synthesis and crystal structure of a PdII complex of ortho-xylylenebis(pyridyltriazole)","IUCrData","2023","8","4","x230362","","10.1107/S2414314623003620","","","1.54184","CuKα","","0.0326","0.0289","","","0.0738","0.0759","","","","","","1.03","","","","has coordinates,has disorder","300370","2025-07-05","10:13:00",""
"1568965","9.5178","0.0017","10.1995","0.0019","14.589","0.002","81.516","0.006","83.142","0.006","72.351","0.007","1330.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>-Benzoyl-<i>N</i>-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","","- C32 H25 As N O3 Rh -","- C32 H25 As N O3 Rh -","- C64 H50 As2 N2 O6 Rh2 -","2","1","WM4184","Motente, Mokete A.; Venter, Johan; Brink, Alice","(N-Benzoyl-N-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","IUCrData","2023","8","4","x230355","","10.1107/S2414314623003553","","","0.71073","MoKα","","0.0355","0.0299","","","0.0707","0.0739","","","","","","1.067","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569086","5.7044","0.0004","9.9485","0.0007","11.7687","0.0007","90","","90.321","0.002","90","","667.87","0.08","300","2","300.15","","","","","","","","","4","P 1 n 1","P -2yac","7","<i>N</i>-Methylserotonin hydrogen oxalate","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)azanium hydrogen oxalate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","BX4024","Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Methylserotonin hydrogen oxalate","IUCrData","2023","8","5","x230378","","10.1107/S2414314623003784","","","0.71073","MoKα","","0.0303","0.0295","","","0.0764","0.0769","","","","","","1.096","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569104","27.0233","0.0002","9.00367","0.00009","8.96199","0.00008","90","","94.2689","0.0008","90","","2174.48","0.03","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-([(<i>Z</i>)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C20 H23 N3 O4 S2 -","- C20 H23 N3 O4 S2 -","- C80 H92 N12 O16 S8 -","4","1","BT4133","Shripanavar, Chetan Shrimandhar; Balerao, Rishik; Butcher, Ray J.","5-([(Z)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3H)-thione dimethyl sulfoxide monosolvate","IUCrData","2023","8","3","x230237","","10.1107/S2414314623002377","","","1.54184","CuKα","","0.0573","0.0535","","","0.1623","0.1659","","","","","","1.092","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569105","29.8739","0.0008","10.6344","0.0004","7.6425","0.0004","90","","99.93","0.004","90","","2391.58","0.17","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-(thiophen-2-yl)quinoxaline-κ<i>N</i>^4^]silver(I) perchlorate","","- C24 H16 Ag Cl N4 O4 S2 -","- C24 H16 Ag Cl N4 O4 S2 -","- C96 H64 Ag4 Cl4 N16 O16 S8 -","4","0.5","BT4134","Crundwell, Guy","Bis[2-(thiophen-2-yl)quinoxaline-κN 4]silver(I) perchlorate","IUCrData","2023","8","3","x230246","","10.1107/S2414314623002468","","","0.71073","MoKα","","0.0592","0.0301","","","0.0671","0.0718","","","","","","0.821","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569106","18.9246","0.001","8.9789","0.0004","22.2776","0.0013","90","","120.967","0.007","90","","3245.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-(2,3-di(thiophen-2'-yl)-5-methylquinoxaline)silver(I) nitrate","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κ<i>N</i>^1^](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C34 H24 Ag N5 O3 S4 -","- C34 H24 Ag N5 O3 S4 -","- C136 H96 Ag4 N20 O12 S16 -","4","0.5","BT4136","Crundwell, Guy; Ellis, Kristin M.","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κN 1](nitrato-κ2 O,O′)silver(I)","IUCrData","2023","8","3","x230265","","10.1107/S2414314623002651","","x-ray","0.71073","MoKα","","0.0723","0.0412","","","0.0918","0.1068","","","","","","1.037","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569175","9.302","0.0008","10.4068","0.0009","12.0732","0.0011","86.046","0.002","82.838","0.002","88.953","0.002","1156.8","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Bipyridyl)(η^6^-<i>p</i>-cymene)iodidoruthenium(II) hexafluoridophosphate","","- C20 H22 F6 I N2 P Ru -","- C20 H22 F6 I N2 P Ru -","- C40 H44 F12 I2 N4 P2 Ru2 -","2","1","ZL4053","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(2,2′-Bipyridyl)(η6-p-cymene)iodidoruthenium(II) hexafluoridophosphate","IUCrData","2023","8","5","x230392","","10.1107/S2414314623003929","","","0.71073","MoKα","","0.048","0.032","","","","0.0766","","","","","","1.05","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569176","9.7925","0.0003","7.9648","0.0003","11.8039","0.0004","90","","113.553","0.001","90","","843.95","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-<i>b</i>]quinazolin-9(4<i>H</i>)-one","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C36 H40 N16 O4 -","4","1","TK4091","Ettahiri, Walid; Dalbouha, Amal; Baouid, Abdesselam; Alsubari, Abdulsalam; Mague, Joel T.; Taleb, Mustapha; Ramli, Youssef","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one","IUCrData","2023","8","5","x230409","","10.1107/S2414314623004091","","","1.54178","CuKα","","0.0303","0.03","","","0.0799","0.0801","","","","","","1.068","","","","has coordinates","300370","2025-07-05","10:13:02",""
"1569177","25.399","0.002","25.399","0.002","30.418","0.002","90","","90","","120","","16994","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triethylenediamin-1-ium) dodeca-μ~2~-chlorido-hexakis(thiocyanato-κ<i>N</i>)hexa-<i>octahedro</i>-niobate","","- C30 H52 Cl12 N14 Nb6 S6 -","- C30 H52 Cl12 N14 Nb6 S6 -","- C360 H624 Cl144 N168 Nb72 S72 -","12","0.666667","WM4186","Sperlich, Eric; Köckerling, Martin","Tetrakis(triethylenediamin-1-ium) dodeca-μ2-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate","IUCrData","2023","8","5","x230398","","10.1107/S241431462300398X","","","0.71073","MoKα","","0.0504","0.0396","","","0.0842","0.0932","","","","","","1.087","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569178","9.8368","0.0014","10.2783","0.0015","13.2857","0.0018","97.689","0.009","108.305","0.008","108.103","0.008","1171.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-<i>b</i>]indole-3(5<i>H</i>)-thione dichloromethane monosolvate","","","- C25 H19 Cl2 N O2 S3 -","- C25 H19 Cl2 N O2 S3 -","- C50 H38 Cl4 N2 O4 S6 -","2","1","BT4137","Dassonneville, Benjamin; Schollmeyer, Dieter; Detert, Heiner","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-b]indole-3(5H)-thione dichloromethane monosolvate","IUCrData","2023","8","5","x230354","","10.1107/S2414314623003541","","","1.54178","CuKα","","0.0414","0.0379","","","0.1037","0.1065","","","","","","1.017","","","","has coordinates","300370","2025-07-05","10:13:03",""
"1569196","8.8872","0.0019","8.8922","0.0019","11.772","0.003","94.374","0.006","110.139","0.006","93.747","0.006","866.7","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","BH4074","Odedokun, Omobola A.; Ikotun, Adebomi A.; Ajaelu, Chijioke J.; Bhuvanesh, Nattamai","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","IUCrData","2023","8","5","x230418","","10.1107/S2414314623004182","","","0.71073","MoKα","","0.0571","0.0435","","","0.1009","0.1088","","","","","","1.025","","","","has coordinates","300370","2025-07-05","10:13:03",""
"1569231","9.1239","0.0002","22.1397","0.0006","9.5463","0.0003","90","","101.799","0.003","90","","1887.61","0.09","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Picolylammonium perchlorate monohydrate","Pyridin-4-ylmethanaminium perchlorate monohydrate","","- C6 H11 Cl N2 O5 -","- C6 H11 Cl N2 O5 -","- C48 H88 Cl8 N16 O40 -","8","2","WM4189","Seidel, Rüdiger W.; Kolev, Tsonko M.","Pyridin-4-ylmethanaminium perchlorate monohydrate","IUCrData","2023","8","5","x230459","","10.1107/S2414314623004595","","x-ray","0.71073","MoKα","","0.0736","0.0434","","","0.0887","0.1013","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:04",""
"1569259","10.8353","0.0002","13.3587","0.0002","30.3697","0.0004","90","","91.838","0.001","90","","4393.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-(4-Methoxyphenyl)-<i>N</i>'-(2-oxoindolin-3-ylidene)-1-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C25 H19 N5 O3 -","- C25 H19 N5 O3 -","- C200 H152 N40 O24 -","8","2","HB4430","Abdel-Wahab, Bakr F.; Farahat, Abdelbasset A.; Bekheit, Mohamed S.; Yousif, Emad; Kariuki, Benson M.; El-Hiti, Gamal A.","(E)-5-(4-Methoxyphenyl)-N′-(2-oxoindolin-3-ylidene)-1-phenyl-1H-pyrazole-3-carbohydrazide","IUCrData","2023","8","5","x230455","","10.1107/S2414314623004558","","","1.54184","CuKα","","0.0517","0.0415","","","0.112","0.1222","","","","","","1.021","","","","has coordinates,has disorder","300370","2025-07-05","10:13:06",""
"1569377","7.055","0.0004","7.1706","0.0003","9.4182","0.0006","90","","109.295","0.007","90","","449.69","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Barium bis(tetrafluoridoborate) trihydrate","","- B2 Ba F8 H6 O3 -","- B2 Ba F8 H6 O3 -","- B4 Ba2 F16 H12 O6 -","2","1","WM4190","Goreshnik, Evgeny; Vakulka, Andrii; Tavčar, Gašper","Low-temperature modification of Ba(BF4)2(H2O)3","IUCrData","2023","8","6","x230488","","10.1107/S2414314623004881","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.0876","0.0892","","","","","","1.07","","","","has coordinates,has disorder","300370","2025-07-05","10:13:08",""
"1569378","14.9788","0.0002","15.3455","0.0002","16.2948","0.0002","90","","90","","90","","3745.48","0.08","93.25","","93.25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κ<i>O</i>)dicopper(II) tris(nitrate) trihydrate","","- C24 H54 Cu2 N12 O16 -","- C24 H54 Cu2 N12 O16 -","- C96 H216 Cu8 N48 O64 -","4","1","ZL4054","Ichimaru, Yoshimi; Kato, Koichi; Sugiura, Kirara; Ogawa, Sarina; Jin, Wanchun; Kurihara, Masaaki; Yamaguchi, Yoshihiro; Imai, Masanori; Kurosaki, Hiromasa","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κO)dicopper(II) tris(nitrate) trihydrate","IUCrData","2023","8","6","x230462","","10.1107/S2414314623004625","","x-ray","1.54184","CuKα","","0.0535","0.0458","","","0.1219","0.139","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569379","12.3973","0.0004","4.7662","0.00015","31.5382","0.001","90","","99.318","0.003","90","","1838.94","0.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Diheptyl-3,3'-bis[(pyridin-3-yl)ethynyl]-5<i>H</i>,5'<i>H</i>-dipyrrolo[1,2-<i>b</i>:1',2'-<i>g</i>][2,6]naphthyridine-5,5'-dione","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C84 H84 N8 O4 -","2","0.5","HB4432","Xiang, Juan; Gao, Huan; Ma, Zhengyu; Cai, Xiaohua; Zhang, Yu-Peng","6,6′-Diheptyl-3,3′-bis[(pyridin-3-yl)ethynyl]-5H,5′H-dipyrrolo[1,2-b:1′,2′-g][2,6]naphthyridine-5,5′-dione","IUCrData","2023","8","6","x230513","","10.1107/S2414314623005138","","","1.54184","CuKα","","0.1053","0.0899","","","0.2287","0.2545","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569406","5.4826","0.0003","12.4971","0.0007","23.5451","0.0013","90","","90","","90","","1613.23","0.15","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Methionyl L-tyrosine monohydrate","L-Methionyl-L-tyrosine monohydrate","","- C14 H22 N2 O5 S -","- C14 H22 N2 O5 S -","- C56 H88 N8 O20 S4 -","4","1","HB4434","Babu, Sainath; Claville, Michelle O.; Fronczek, Frank R.; Uppu, Rao M.","L-Methionyl-L-tyrosine monohydrate","IUCrData","2023","8","6","x230551","","10.1107/S2414314623005515","","","1.54184","CuKα","","0.0271","0.0252","","","0.0625","0.0635","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569407","7.9303","0.0006","11.2977","0.0009","11.9988","0.0009","82.468","0.004","77.379","0.004","73.419","0.004","1002.71","0.14","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carbonitrile acetic acid monosolvate","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","HB4427","Chakraborty, Bimal Bhushan; Paul, Saurav; Anwar, Siddique; Choudhury, Sudip","2-Amino-4-(4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile acetic acid monosolvate","IUCrData","2023","8","6","x230558","","10.1107/S2414314623005588","","","0.71073","MoKα","","0.0705","0.0503","","","0.1396","0.1571","","","","","","1.061","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569530","9.6678","0.0008","10.9294","0.0011","11.7231","0.0008","90","","93.395","0.007","90","","1236.53","0.18","293.27","0.1","293.27","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-(2-methylanilino)benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","BV4047","Liu, Chenxin; Long, Sihui","4-Methyl-2-(2-methylanilino)benzoic acid","IUCrData","2023","8","7","x230599","","10.1107/S2414314623005990","","x-ray","1.54184","CuKα","","0.0565","0.0447","","","0.1185","0.1306","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569531","8.95081","0.00017","6.5411","0.00015","21.9729","0.0004","90","","91.2391","0.0018","90","","1286.17","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(4-methylphenoxy)benzoic acid","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","HB4431","Lu, Kangkang; Long, Sihui","3-Methyl-2-(4-methylphenoxy)benzoic acid","IUCrData","2023","8","7","x230600","","10.1107/S2414314623006004","","x-ray","1.54184","CuKα","","0.0464","0.0421","","","0.1193","0.1235","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569532","4.91237","0.00015","10.3037","0.0003","12.5876","0.0003","105.89","0.002","96.422","0.002","99.361","0.002","596.36","0.03","268.1","0.5","268.1","0.5","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Chloro-2-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","1","VM4061","Tian, Guimiao; Long, Sihui","N-(3-Chloro-2-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230602","","10.1107/S2414314623006028","","x-ray","1.54184","CuKα","","0.0649","0.0596","","","0.1755","0.1837","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569533","7.373","0.0006","8.0091","0.0006","10.8545","0.0006","97.296","0.006","95.228","0.006","102.149","0.007","616.93","0.08","297.4","0.14","297.4","0.14","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","","- C12 H8 Cl2 N2 O2 -","- C12 H8 Cl2 N2 O2 -","- C24 H16 Cl4 N4 O4 -","2","1","WM4188","Tu, Ni; Long, Sihui","N-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230603","","10.1107/S241431462300603X","","x-ray","1.54184","CuKα","","0.0789","0.0766","","","0.2064","0.2099","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569534","11.3071","0.0012","22.044","0.003","21.557","0.003","90","","104.775","0.007","90","","5195.5","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[1,4-Di(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–\ 1,4-dibromobutane (1/1)","","- C55 H66 Br2 O10 -","- C55 H66 Br2 O10 -","- C220 H264 Br8 O40 -","4","0.5","XU4051","Vinodh, Mickey; Al-Azemi, Talal F.","1-[1,4-Bis(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–1,4-dibromobutane 1:1 inclusion complex","IUCrData","2023","8","7","x230588","","10.1107/S2414314623005886","","","0.71075","MoKα","","0.1376","0.073","","","0.2142","0.2513","","","","","","1.045","","","","has coordinates,has disorder","300370","2025-07-05","10:13:10",""
"1569535","14.0775","0.0003","14.0775","0.0003","24.3492","0.0008","90","","90","","90","","4825.4","0.2","173","0.1","173","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","","- C34 H76 Cl8 Mn N2 -","- C34 H76 Cl8 Mn N2 -","- C136 H304 Cl32 Mn4 N8 -","4","0.25","WM4191","Hay, Michael T.; Yennawar, Hemant P.","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","IUCrData","2023","8","7","x230610","","10.1107/S2414314623006107","","x-ray","1.54184","CuKα","","0.1062","0.0754","","","0.2016","0.2215","","","","","","1.064","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569536","6.68228","0.0001","11.79159","0.00018","13.1717","0.0002","90","","90","","90","","1037.86","0.03","275.8","0.2","275.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Oxo-<i>N</i>-phenyl-1,4-dihydropyridine-3-carboxamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","IM4020","Shu, Xi; Long, Sihui","4-Oxo-N-phenyl-1,4-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230601","","10.1107/S2414314623006016","","x-ray","1.54184","CuKα","","0.0322","0.0303","","","0.0819","0.0827","","","","","","1.06","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569537","10.8865","0.0002","10.31441","0.00018","11.0885","0.0002","90","","113.817","0.003","90","","1139.07","0.04","288.2","0.2","288.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-Chloroanilino)benzoic acid","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","BT4139","Liu, Xiaoting; Long, Sihui","4-(3-Chloroanilino)benzoic acid","IUCrData","2023","8","7","x230598","","10.1107/S2414314623005989","","x-ray","1.54184","CuKα","","0.0496","0.0466","","","0.1388","0.1426","","","","","","1.079","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569590","10.3939","0.0001","17.668","0.0002","17.6653","0.0002","90","","90","","90","","3244.05","0.06","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(5-Cyanononan-5-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","BV4049","Song, Xueqing; Li, William","N-(5-Cyanononan-5-yl)benzamide","IUCrData","2023","8","7","x230639","","10.1107/S2414314623006399","","","1.54184","CuKα","","0.0479","0.0427","","","0.1088","0.1121","","","","","","1.079","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569591","27.036","0.006","6.3093","0.0013","20.653","0.005","90","","105.536","0.006","90","","3394.2","1.3","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ-aqua)[μ~4~-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]","","- C34 H38 Co2 N4 O11 -","- C34 H38 Co2 N4 O11 -","- C136 H152 Co8 N16 O44 -","4","0.5","BT4140","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[(μ-aqua)[μ4-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]","IUCrData","2023","8","7","x230648","","10.1107/S241431462300648X","","","0.71073","MoKα","","0.0581","0.0414","","","0.1007","0.1133","","","","","","1.061","","","","has coordinates","300370","2025-07-05","10:13:12",""
"1569592","27.558","0.01","14.873","0.005","9.146","0.003","90","","98.396","0.004","90","","3708","2","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~4~-3-(2-carboxylatophenyl)propionato]{<i>N</i>-[2-(pyridine-3-amido)ethyl]nicotinamide}dicopper(II)] pentahydrate]","","- C34 H40 Cu2 N4 O15 -","- C34 H40 Cu2 N4 O15 -","- C136 H160 Cu8 N16 O60 -","4","0.5","ZL4055","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[bis[μ4-3-(2-carboxylatophenyl)propionato]{N-[2-(pyridine-3-amido)ethyl]nicotinamide}dicopper(II)] pentahydrate]","IUCrData","2023","8","7","x230622","","10.1107/S2414314623006223","","","0.71073","MoKα","","0.1349","0.0792","","","0.1946","0.2297","","","","","","1.016","","","","has coordinates,has disorder","300370","2025-07-05","10:13:12",""
"1569661","9.6536","0.0009","9.0435","0.0009","21.599","0.002","90","","94.473","0.002","90","","1879.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[5-(2,3-Dimethoxynaphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-3-methoxyphenol","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","HB4442","Sung, Jiha","2-[5-(2,3-Dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-methoxyphenol","IUCrData","2023","8","8","x230668","","10.1107/S2414314623006685","","","0.71073","MoKα","","0.1143","0.0586","","","0.1491","0.1841","","","","","","0.922","","","","has coordinates","300370","2025-07-05","10:13:12",""
"1569662","16.2645","0.0016","7.8297","0.0007","22.819","0.002","90","","90","","90","","2905.9","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Methoxyphenyl)-9<i>H</i>-carbazole","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","HB4441","Ganesan, Prabhu; Jasmine, Nithianantham Jeeva; Darious, Robert Swinton; Soundararajan, Krishnan; Rajalingam, Renganathan","9-(4-Methoxyphenyl)-9H-carbazole","IUCrData","2023","8","8","x230674","","10.1107/S2414314623006740","","","0.71073","MoKα","","0.1039","0.0458","","","0.102","0.1355","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:13:13",""
"1569663","9.1138","0.0008","9.4045","0.0008","14.4758","0.0013","97.3","0.001","94.045","0.001","114.149","0.001","1112.63","0.17","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ~3~-3-(2-carboxylatophenyl)propionato][μ~2~-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate]","","- C24 H24 Cu N4 O7 -","- C24 H24 Cu N4 O7 -","- C48 H48 Cu2 N8 O14 -","2","1","BH4076","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ3-3-(2-carboxylatophenyl)propionato][μ2-N,N′-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate], a layered coordination polymer with (4,4) topology","IUCrData","2023","8","8","x230679","","10.1107/S241431462300679X","","","0.71073","MoKα","","0.0522","0.0386","","","0.0849","0.0924","","","","","","1.05","","","","has coordinates,has disorder","300370","2025-07-05","10:13:13",""
"1569734","10.683","0.002","11.347","0.002","13.203","0.003","90","","107.491","0.003","90","","1526.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diethyl 2,2'-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","","- C28 H34 Cl N3 O9 S -","- C28 H34 Cl N3 O9 S -","- C56 H68 Cl2 N6 O18 S2 -","2","1","TK4094","Ramli, Youssef; Al Garadi, Wedad; El Hafi, Mohamed; Lhoussaine, Elghayati; Essassi, El Mokhtar; Alsubari, Abdulsalam; Mague, Joel T.","Diethyl 2,2′-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","IUCrData","2023","8","8","x230699","","10.1107/S2414314623006995","","","0.71073","MoKα","","0.0744","0.056","","","0.1439","0.1539","","","","","","1.061","","","","has coordinates,has disorder","300370","2025-07-05","10:13:14",""
"1569756","8.7211","0.0002","10.4194","0.0002","10.5243","0.0007","106.426","0.007","109.09","0.008","90.373","0.006","861.67","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","μ-1,6-Dioxo-1,6-diphenylhexane-3,4-diolato-bis[(2,2'-bipyridine)chloridocopper(II)] dihydrate","","- C38 H32 Cl2 Cu2 N4 O6 -","- C38 H32 Cl2 Cu2 N4 O6 -","- C38 H32 Cl2 Cu2 N4 O6 -","1","0.5","TK4095","Nye, Luke; Telfer, Shane G.; Turnbull, Mark M.","μ-1,6-Dioxo-1,6-diphenylhexane-3,4-diolato-bis[(2,2′-bipyridine)chloridocopper(II)] dihydrate","IUCrData","2023","8","8","x230713","","10.1107/S2414314623007137","","","1.54178","CuKα","","0.0615","0.0474","","","0.112","0.121","","","","","","1.129","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569757","8.5431","0.0008","9.7391","0.0009","9.9667","0.0009","104.523","0.001","93.049","0.001","99.966","0.001","786.57","0.13","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine]bis[μ~3~-4-(2-carboxylatoethyl)benzoato]dicopper(II)]","","- C34 H32 Cu2 N4 O8 -","- C34 H32 Cu2 N4 O8 -","- C34 H32 Cu2 N4 O8 -","1","0.5","","Jia, Jason; LaDuca, Robert L.","Poly[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine]bis[μ3-4-(2-carboxylatoethyl)benzoato]dicopper(II)]","IUCrData","2023","8","8","x230745","","10.1107/S2414314623007459","","","0.71073","MoKα","","0.0535","0.0442","","","0.1075","0.1138","","","","","","1.12","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569775","13.7083","0.0005","8.65","0.0003","14.1183","0.0005","90","","99.724","0.001","90","","1650.05","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Bromoethyl)-5,5-diphenylimidazolidine-2,4-dione","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C68 H60 Br4 N8 O8 -","4","1","TK4088","Guerrab, Walid; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-(2-Bromo-eth-yl)-5,5-di-phenyl-imidazolidine-2,4-dione.","IUCrData","2023","8","Pt 1","x230060","","10.1107/S2414314623000603","","","0.71073","MoKα","","0.0715","0.0516","","","0.1555","0.1703","","","","","","1.056","","","","has coordinates","286006","2023-09-05","01:59:31",""
"1569776","5.9685","0.0004","8.9642","0.0006","12.4927","0.0009","94.804","0.006","102.448","0.005","99.356","0.005","639.09","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4,5-Dibromo-3,3,6,6-tetramethyl-2,3,6,7-tetrahydrothiepine-1,1-dione","","- C10 H16 Br2 O2 S -","- C10 H16 Br2 O2 S -","- C20 H32 Br4 O4 S2 -","2","1","BT4132","Schollmeyer, Dieter; Detert, Heiner","(<i>Z</i>)-4,5-Di-bromo-3,3,6,6-tetra-methyl-2,3,6,7-tetra-hydro-thiepine-1,1-dione.","IUCrData","2023","8","Pt 1","x230042","","10.1107/S2414314623000421","","","0.71073","MoKα","","0.0443","0.0362","","","0.0826","0.089","","","","","","1.14","","","","has coordinates","286007","2023-09-05","02:00:17",""
"1569777","8.1119","0.0003","9.5566","0.0003","22.2332","0.0008","90.553","0.003","91.592","0.003","106.047","0.003","1655.5","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis[5-(3,5-didodecyloxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dimethylpyrazine","","- C70 H112 N6 O6 -","- C70 H112 N6 O6 -","- C70 H112 N6 O6 -","1","0.5","BT4131","Joa, Benedikt; Schollmeyer, Dieter; Detert, Heiner","2,5-Bis[5-(3,5-dido-decyl-oxyphen-yl)-1,3,4-oxa-diazol-2-yl]-3,6-di-methyl-pyrazine.","IUCrData","2023","8","Pt 1","x230034","","10.1107/S2414314623000342","","","1.54178","CuKα","","0.0936","0.0504","","","0.1256","0.1432","","","","","","0.942","","","","has coordinates","286008","2023-09-05","02:00:38",""
"1569778","15.9302","0.0008","15.9302","0.0008","6.9779","0.0004","90","","90","","90","","1770.79","0.16","295","2","295","2","","","","","","","","4","I -4","I -4","82","","3-Chloro-<i>N</i>,<i>N</i>-dimethylpropan-1-aminium chloride","","- C5 H13 Cl2 N -","- C5 H13 Cl2 N -","- C40 H104 Cl16 N8 -","8","1","HB4422","Bond, Marcus R.; Silwal, Sajan","3-Chloro-<i>N</i>,<i>N</i>-di-methyl-propan-1-aminium chloride.","IUCrData","2023","8","Pt 1","x230015","","10.1107/S2414314623000159","","","0.71073","MoKα","","0.0505","0.0387","","","0.0799","0.0847","","","","","","1.092","","","","has coordinates","286009","2023-09-05","02:00:58",""
"1569779","9.3758","0.0007","4.7862","0.0003","32.764","0.002","90","","96.34","0.003","90","","1461.27","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole-7-carboxylate","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C64 H64 N16 O12 -","4","1","BT4130","Richter, Adrian; Goddard, Richard; Schönefeld, Roy; Imming, Peter; Seidel, Rüdiger W","Methyl 1-[(6-meth-oxy-5-methyl-pyrimidin-4-yl)meth-yl]-1<i>H</i>-benzo[<i>d</i>]imidazole-7-carboxyl-ate: a combined X-ray and DFT study.","IUCrData","2023","8","Pt 1","x230025","","10.1107/S2414314623000251","","","0.71073","Mo-Kα","","0.0478","0.0387","","","0.0582","0.0607","","","","","","1.074","","","","has coordinates,has disorder","286010","2023-09-05","02:01:54",""
"1569780","11.0632","0.0003","16.9135","0.0005","13.4178","0.0003","90","","110.442","0.001","90","","2352.6","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-hydroxido-bis[di-<i>tert</i>-butylchloridotin(IV)]","","- C16 H38 Cl2 O2 Sn2 -","- C16 H38 Cl2 O2 Sn2 -","- C64 H152 Cl8 O8 Sn8 -","4","1","TK4087","Reuter, Hans","Redetermination of the crystal structure of di-μ<sub>2</sub>-hydroxido-bis-[di-<i>tert</i>-butyl-chlorido-tin(IV)] at 100 K.","IUCrData","2023","8","Pt 1","x230056","","10.1107/S2414314623000561","","","0.71073","MoKα","","0.0173","0.014","","","0.0329","0.0344","","","","","","1.064","","","","has coordinates","286011","2023-09-05","02:02:33",""
"1569781","13.071","0.003","10.458","0.003","13.358","0.003","90","","90.576","0.019","90","","1825.9","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Brasixanthone B","5,8-Dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-<i>b</i>]xanthen-6-one","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","1","PK4037","Binti Seruji, Nurr Maria Ulfa; Rosli, Mohd Mustaqim; Jong, Vivien Yi Mian; Karunakaran, Thiruventhan; Lizazman, Mas Atikah; Marlina, Anita; Binti Halid, Yanti Yana","5,8-Dihy-droxy-2,2-dimethyl-12-(3-methyl-but-2-en-yl)pyrano[3,2-<i>b</i>]xanthen-6-one (brasixanthone B).","IUCrData","2023","8","Pt 1","x221198","","10.1107/S2414314622011981","","","0.71073","MoKα","","0.1102","0.0628","","","0.1543","0.1975","","","","","","1.076","","","","has coordinates","286012","2023-09-05","02:03:01",""
"1569782","10.0982","0.0012","8.2447","0.0011","19.365","0.003","90","","98.592","0.012","90","","1594.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)imino]-1,2-diphenylethanone","","- C20 H15 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","HB4414","Ziani, Nouara; Ouarda, Brihi; Kadri, Soumia; Jeanneau, Erwann; Warad, Ismail; Djedouani, Amel","2-[(4-Chloro-phen-yl)imino]-1,2-di-phenyl-ethanone.","IUCrData","2023","8","Pt 1","x230065","","10.1107/S2414314623000652","","","0.71073","MoKα","","0.0931","0.0622","","","0.1492","0.1864","","","","","","1.114","","","","has coordinates","286013","2023-09-05","02:03:48",""
"1569783","4.92171","0.00014","4.92171","0.00014","4.92171","0.00014","90","","90","","90","","119.22","0.006","100","0.1","100","0.1","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver(I) fluoride","","- Ag F -","- Ag F -","- Ag4 F4 -","4","0.0208333","WM4179","Lozinšek, Matic; Belak Vivod, Matic; Dragomir, Mirela","Crystal structure reinvestigation of silver(I) fluoride, AgF.","IUCrData","2023","8","Pt 1","x230018","","10.1107/S2414314623000184","","x-ray","0.56087","AgKα","","0.0108","0.0108","","","0.0203","0.0203","","","","","","1.28","","","","has coordinates","286014","2023-09-05","02:04:32",""
"1569784","5.8027","0.0002","7.5404","0.0003","10.1345","0.0004","70.483","0.002","84.15","0.002","84.208","0.003","414.72","0.03","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","alloxazine","1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C20 H12 N8 O4 -","2","1","HB4421","Uppu, Rao M.; Fronczek, Frank R.","1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione.","IUCrData","2023","8","Pt 1","x221223","","10.1107/S2414314622012238","","","1.54184","CuKα","","0.0698","0.0484","","","0.1319","0.1438","","","","","","1.066","","","","has coordinates","286015","2023-09-05","02:04:55",""
"1569785","10.551","0.003","12.444","0.004","13.804","0.005","95.258","0.01","101.022","0.009","94.954","0.01","1761.5","1","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane 0.8-solvate","","- C32.8 H39.6 B Cl1.6 F4 Ir N3 P -","- C32.8 H39.6 B Cl1.6 F4 Ir N3 P -","- C65.6 H79.2 B2 Cl3.2 F8 Ir2 N6 P2 -","2","1","WM4181","Smith, Troy E.; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cyclo-octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl-idene)(tri-phenyl-phos-phane)iridium(I) tetra-fluorido-borate di-chloro-methane 0.8-solvate.","IUCrData","2023","8","Pt 1","x230064","","10.1107/S2414314623000640","","","0.71073","MoKα","","0.0358","0.0283","","","0.06","0.0625","","","","","","1.041","","","","has coordinates","286016","2023-09-05","02:05:30",""
"1569786","5.44197","0.00004","13.09134","0.00008","14.36102","0.00009","90","","90","","90","","1023.12","0.012","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aquatrifluoridoboron–1,3-dioxolan-2-one (1/2)","","- C6 H10 B F3 O7 -","- C6 H10 B F3 O7 -","- C24 H40 B4 F12 O28 -","4","1","WM4182","Radan, Kristian; Forero-Saboya, Juan; Ponrouch, Alexandre; Lozinšek, Matic","Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).","IUCrData","2023","8","Pt 1","x230062","","10.1107/S2414314623000627","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.05","0.0503","","","","","","1.038","","","","has coordinates","286017","2023-09-05","02:06:06",""
"1569787","5.967","0.004","4.092","0.003","20.358","0.014","90","","93.08","0.018","90","","496.4","0.6","263","2","263","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-(Allyloxy)benzohydrazide","4-(Prop-2-en-1-yloxy)benzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Zangrando, Ennio","4-(All-yloxy)benzohydrazide.","IUCrData","2023","8","Pt 1","x221195","","10.1107/S2414314622011956","","","0.71075","MoKα","","0.0924","0.0807","","","0.2188","0.2276","","","","","","1.046","","","","has coordinates","286018","2023-09-05","02:06:29",""
"1569788","8.23147","0.00011","7.16385","0.00009","9.24494","0.00014","90","","97.8459","0.0013","90","","540.062","0.013","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralone","","- C12 H11 F3 O2 -","- C12 H11 F3 O2 -","- C24 H22 F6 O4 -","2","1","WM4178","Motaln, Klemen; Cotman, Andrej Emanuel; Lozinšek, Matic","(<i>S</i>)-2-[(<i>S</i>)-2,2,2-Tri-fluoro-1-hy-droxy-eth-yl]-1-tetra-lone.","IUCrData","2023","8","Pt 1","x221209","","10.1107/S2414314622012093","","x-ray","1.54184","CuKα","","0.0218","0.0215","","","0.0557","0.0559","","","","","","1.061","","","","has coordinates","286019","2023-09-05","02:06:55",""
"1569848","15.587","0.002","6.7579","0.001","20.942","0.003","90","","111.614","0.002","90","","2050.8","0.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ~4~-succinato)dicopper(II)]","","- C19 H18 Cu2 N4 O9 -","- C19 H18 Cu2 N4 O9 -","- C76 H72 Cu8 N16 O36 -","4","1","BH4078","Ezenyilimba, Frederick; LaDuca, Robert L.","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-succinato)dicopper(II)], a ribbon-like coordination polymer","IUCrData","2023","8","9","x230747","","10.1107/S2414314623007472","","","0.71073","MoKα","","0.1015","0.0561","","","0.1232","0.1509","","","","","","0.985","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569849","8.7642","0.0008","10.8653","0.0009","12.6564","0.0011","65.094","0.003","75.354","0.003","76.718","0.003","1047.12","0.16","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(4-acetoxy-<i>N</i>-ethyl-<i>N</i>-<i>n</i>-propyltryptammonium) fumarate–fumaric acid (1/1)","Bis{[2-(4-acetyloxy-1<i>H</i>-indol-3-yl)ethyl](ethyl)propylazanium} but-2-enedioate–(<i>E</i>)-butenedioic acid (1/1)","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C42 H56 N4 O12 -","2","1","HB4447","Pham, Duyen N. K.; Sackett, Nathan B.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(4-acetoxy-N-ethyl-N-n-propyltryptammonium) fumarate–fumaric acid (1/1)","IUCrData","2023","8","9","x230779","","10.1107/S2414314623007794","","","0.71073","MoKα","","0.0751","0.0561","","","0.1258","0.137","","","","","","1.026","","","","has coordinates,has disorder","300370","2025-07-05","10:13:15",""
"1569850","13.632","0.004","13.632","0.004","17.507","0.006","90","","90","","90","","3253.4","1.8","153","2","153","","","","","","","","","4","I 41","I 4bw","80","","<i>N</i>,<i>N</i>'-[1,4-Phenylenebis(iminocarbonyl)]bis(<i>L</i>-phenylalanine) tetrahydrofuran disolvate","","- C34 H42 N4 O8 -","- C34 H42 N4 O8 -","- C136 H168 N16 O32 -","4","0.5","BH4077","Stapf, Manuel; Schwarzer, Anke","N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate","IUCrData","2023","8","9","x230743","","10.1107/S2414314623007435","","","0.71073","MoKα","","0.0446","0.0395","","","0.1014","0.1067","","","","","","1.053","","","","has coordinates,has disorder","300370","2025-07-05","10:13:15",""
"1569851","8.5016","0.0011","10.1996","0.0016","13.4724","0.0016","104.368","0.001","91.416","0.001","99.03","0.001","1115.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(3^1^<i>E</i>,3^2^<i>Z</i>,7^1^<i>E</i>,7^2^<i>Z</i>)-4,8-Bis(3,5-dichlorophenyl)-1^4^,3^3^,5^3^,7^3^-tetrapropyl-1^1^<i>H</i>,3^2^<i>H</i>,5^1^<i>H</i>,7^2^<i>H</i>-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane","","- C50 H44 Cl4 N4 S2 -","- C50 H44 Cl4 N4 S2 -","- C50 H44 Cl4 N4 S2 -","1","0.5","XU4052","Ishimaru, Yoshihiro; Ikeda, Ryo; Fujihara, Takashi","(31 E,32 Z,71 E,72 Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11 H,32 H,51 H,72 H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane","IUCrData","2023","8","9","x230766","","10.1107/S2414314623007666","","","0.71073","MoKα","","0.0454","0.034","","","0.0842","0.0895","","","","","","1.219","","","","has coordinates","300370","2025-07-05","10:13:15",""
"1569852","10.718","0.004","10.933","0.003","11.586","0.003","113.462","0.004","109.626","0.004","96.053","0.004","1127.2","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~3~-adamantane-1,3-dicarboxylato)aqua[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate]","","- C23 H27 N3 Ni O7 -","- C23 H27 N3 Ni O7 -","- C46 H54 N6 Ni2 O14 -","2","1","","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-dicarboxylato)aqua[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with (4,4) topology","IUCrData","2023","8","9","x230758","","10.1107/S2414314623007587","","","0.71073","MoKα","","0.0535","0.0417","","","0.1066","0.1148","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:13:15",""
"1569853","7.9413","0.0013","10.4614","0.0016","11.3198","0.0018","70.6534","0.0018","87.8784","0.0019","73.9621","0.0018","851.2","0.2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dinicotinamide]","","- C34 H32 Cu N4 O12 -","- C34 H32 Cu N4 O12 -","- C34 H32 Cu N4 O12 -","1","0.5","","Pumford, Sean R.; LaDuca, Robert L.","catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide]","IUCrData","2023","8","9","x230764","","10.1107/S2414314623007642","","","0.71073","MoKα","","0.04","0.0355","","","0.0897","0.0932","","","","","","1.058","","","","has coordinates,has disorder","300370","2025-07-05","10:13:16",""
"1569854","10.68706","0.00009","19.53919","0.00016","19.31983","0.00017","90","","91.7888","0.0007","90","","4032.33","0.06","100.01","0.12","100.01","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(dimethoxyethane)magnesium pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)hydroxidooxidodialuminate","Bis(dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ^3^<i>O</i>,3κ^2^<i>O</i>-μ-hydroxido-1:3κ^2^<i>O</i>-μ~3~-oxido-1:2:3κ^3^<i>O</i>-magnesiumdialuminium","","- C23 H26 Al2 F30 Mg O11 -","- C23 H26 Al2 F30 Mg O11 -","- C92 H104 Al8 F120 Mg4 O44 -","4","1","HB4443","Lozinšek, Matic; Pavčnik, Tjaša; Bitenc, Jan","Bis(dimethoxyethane-1κ2 O,O′)pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ3 O,3κ2 O-μ-hydroxido-1:3κ2 O-μ3-oxido-1:2:3κ3 O-magnesiumdialuminium","IUCrData","2023","8","9","x230716","","10.1107/S2414314623007162","","x-ray","0.56087","AgKα","","0.046","0.0326","","","0.0843","0.0911","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569865","6.5733","0.0002","8.0601","0.0002","15.828","0.0004","95.442","0.002","99.527","0.002","90.36","0.002","823.09","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","Benzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","(<i>Z</i>)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate","","- C17 H15 N3 O S2 -","- C17 H15 N3 O S2 -","- C34 H30 N6 O2 S4 -","2","1","HB4449","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.; Mohammat, Mohd Fazli; Mohd Aluwi, Mohd Fadhlizil Fasihi; Jumali, Nor Saliyana","(Z)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate","IUCrData","2023","8","9","x230782","","10.1107/S2414314623007824","","x-ray","1.54184","CuKα","","0.0369","0.0344","","","0.095","0.0968","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569866","5.7234","0.0001","11.2961","0.0001","12.6591","0.0002","90","","98.82","0.001","90","","808.76","0.02","299.7","0.1","299.7","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Pyrrolidin-1-yl)ethan-1-iminium chloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","1","HB4444","Artis, Rylan; Padgett, Clifford W.; Quillian, Brandon","1-(Pyrrolidin-1-yl)ethan-1-iminium chloride","IUCrData","2023","8","9","x230790","","10.1107/S2414314623007903","","x-ray","1.54184","CuKα","","0.036","0.0329","","","0.0977","0.1002","","","","","","1.089","","","","has coordinates,has disorder","300370","2025-07-05","10:13:16",""
"1569867","7.2107","0.0008","10.2179","0.0013","20.863","0.003","90","","90.562","0.004","90","","1537.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,4-Dichlorobenzylidene)[2-(1<i>H</i>-indol-3-yl)ethyl]amine","","- C17 H14 Cl2 N2 -","- C17 H14 Cl2 N2 -","- C68 H56 Cl8 N8 -","4","1","HB4446","Murugan, Suganya; Paul, Anaglit Catherine; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar","(2,4-Dichlorobenzylidene)[2-(1H-indol-3-yl)ethyl]amine","IUCrData","2023","8","9","x230780","","10.1107/S2414314623007800","","","0.71073","MoKα","","0.1223","0.0482","","","0.1054","0.1344","","","","","","1.007","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569883","8.1283","0.0002","21.3822","0.0007","8.6376","0.0002","90","","101.713","0.003","90","","1469.96","0.07","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","","- C7 H14 Br N3 -","- C7 H14 Br N3 -","- C42 H84 Br6 N18 -","6","1.5","HB4448","Maynard, Aaron; Keller, Taylor M.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","IUCrData","2023","8","9","x230784","","10.1107/S2414314623007848","","x-ray","0.71073","MoKα","","0.0314","0.0224","","","0.0494","0.0516","","","","","","1.038","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1569931","17.282","0.003","16.324","0.003","12.698","0.004","90","","131.754","0.002","90","","2672.4","1.1","173.15","","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","","- C26 H32 N4 Ni O6 -","- C26 H32 N4 Ni O6 -","- C104 H128 N16 Ni4 O24 -","4","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","IUCrData","2023","8","9","x230788","","10.1107/S2414314623007885","","","0.71073","MoKα","","0.0711","0.0571","","","0.1352","0.1489","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569932","3.73339","0.00004","6.97307","0.00005","12.87327","0.00009","90","","97.1579","0.0008","90","","332.52","0.005","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitrobenzonitrile","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C14 H8 N4 O4 -","2","1","HB4451","Virant, Miha; Siljanovska, Ana; Cerkovnik, Janez; Lozinšek, Matic","3-Nitrobenzonitrile","IUCrData","2023","8","9","x230814","","10.1107/S2414314623008143","","x-ray","1.54184","CuKα","","0.0242","0.0241","","","0.0689","0.069","","","","","","1.089","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569933","9.7753","0.0007","11.2349","0.0008","12.6422","0.0009","90.946","0.001","111.5","0.001","94.586","0.001","1286.11","0.16","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ^2^<i>N</i>:<i>N</i>'][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ^2^<i>O</i>:<i>O</i>^2^]zinc(II)] 2.5 hydrate]","","- C26 H27 N4 O8.5 Zn -","- C26 H27 N4 O8.5 Zn -","- C52 H54 N8 O17 Zn2 -","2","1","","Glatz, Erika J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ2 N:N′][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ2 O:O 2]zinc(II)] 2.5 hydrate]: a tri-periodic coordination polymer with a dimer-based six-connected pcu topology","IUCrData","2023","8","9","x230811","","10.1107/S2414314623008118","","","0.71073","MoKα","","0.0498","0.0417","","","0.103","0.1094","","","","","","1.046","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1569934","20.833","0.004","9.6413","0.0015","15.654","0.003","90","","136.283","0.01","90","","2173","0.8","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(tetrahydrofuran-κ<i>O</i>)chromium(II)](<i>Cr</i>—<i>Cr</i>)","","- C16 H28 Cr2 O10 -","- C16 H28 Cr2 O10 -","- C64 H112 Cr8 O40 -","4","0.5","WM4196","Heiser, Christian; Merzweiler, Kurt","Tetrakis(μ-acetato-κ2 O:O′)bis[(tetrahydrofuran-κO)chromium(II)]","IUCrData","2023","8","9","x230801","","10.1107/S2414314623008015","","x-ray","0.71073","MoKα","","0.0315","0.0284","","","0.0825","0.0844","","","","","","1.056","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569935","8.4267","0.0019","14.084","0.003","10.9","0.002","90","","91.953","0.008","90","","1292.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate","4-Amino-3,5-dichloropyridinium 3-hydroxypyridine-2-carboxylate monohydrate","","- C11 H11 Cl2 N3 O4 -","- C11 H11 Cl2 N3 O4 -","- C44 H44 Cl8 N12 O16 -","4","1","HB4452","Ashokan, Agalya; Nehru, Jayasudha; Chakkarapani, Nandhini; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar","4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate","IUCrData","2023","8","9","x230821","","10.1107/S2414314623008210","","","0.71073","MoKα","","0.0403","0.0334","","","0.0864","0.0905","","","","","","1.03","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1570007","8.5042","0.0011","13.3095","0.0017","20.921","0.003","90","","101.348","0.001","90","","2321.7","0.5","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ~4~-glutarato)dicopper(II)]","","- C21 H22 Cu2 N4 O9 -","- C21 H22 Cu2 N4 O9 -","- C84 H88 Cu8 N16 O36 -","4","1","","Ezenyilimba, Frederick C.; LaDuca, Robert L.","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-glutarato)dicopper(II)]","IUCrData","2023","8","9","x230833","","10.1107/S2414314623008337","","","0.71073","MoKα","","0.0619","0.0424","","","0.0964","0.1094","","","","","","1.032","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1570038","18.402","0.002","33.377","0.004","17.963","0.002","90","","90","","90","","11033","2","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate]","","- C26 H30 Cu N4 O5 -","- C26 H28 Cu N4 O5 -","- C416 H448 Cu16 N64 O80 -","16","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate], a coordination polymer with twofold interpenetrated cds topology networks","IUCrData","2023","8","10","x230855","","10.1107/S2414314623008556","","","0.71073","MoKα","","0.1247","0.1025","","","0.2709","0.3024","","","","","","1.164","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1570053","21.789","0.003","9.5494","0.0012","22.2","0.003","90","","90","","90","","4619.2","1.1","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate],","","- C25 H29 N3 Ni O6 -","- C25 H29 N3 Ni O6 -","- C200 H232 N24 Ni8 O48 -","8","1","BH4079","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology","IUCrData","2023","8","10","x230869","","10.1107/S2414314623008696","","","0.71073","MoKα","","0.0709","0.0479","","","0.1195","0.1338","","","","","","1.053","","","","has coordinates","300370","2025-07-05","10:13:18",""
"1570100","15.1769","0.0004","5.8576","0.0002","25.2717","0.0007","90","","90","","90","","2246.66","0.12","108","3","108","3","","","","","","","","2","P b c a","-P 2ac 2ab","61","1-Methyl-3-(2-naphthyl)cyclopentadiene","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","","- C16 H14 -","- C16 H14 -","- C128 H112 -","8","1","ZL4062","Michailidis, Melina; Bonitatibus Jr, Peter J.","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","IUCrData","2023","8","10","x230856","","10.1107/S2414314623008568","","x-ray","1.54184","CuKα","","0.0612","0.0536","","","0.1357","0.1411","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:13:18",""
"1570106","2.9405","0.0015","2.9405","0.0015","2.9405","0.0015","90","","90","","90","","25.43","0.02","299","2","299","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Aluminium copper iron","","- Al0.88 Cu0.94 Fe0.18 -","- Al0.88 Cu0.92 Fe0.2 -","- Al0.88 Cu0.92 Fe0.2 -","1","0.0208333","HB4450","Liu, Yibo; Liu, Huizi; Wen, Bin; Fan, Changzeng","Al0.88Cu0.94Fe0.18","IUCrData","2023","8","10","x230870","","10.1107/S2414314623008702","","","0.71073","MoKα","","0.0133","0.0133","","","0.0306","0.0306","","","","","","1.442","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570155","10.8268","0.0002","12.5379","0.0002","14.0896","0.0002","87.421","0.001","86.988","0.001","77.089","0.002","1860.58","0.05","100","","99.96","0.14","","","","","","","","8","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate","","- C34.5 H43 B Cl3 F4 Ir N3 P -","- C34.5 H43 B Cl3 F4 Ir N3 P -","- C69 H86 B2 Cl6 F8 Ir2 N6 P2 -","2","1","HB4453","Maynard, Aaron; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate","IUCrData","2023","8","10","x230903","","10.1107/S2414314623009033","","","0.71073","MoKα","","0.0275","0.0244","","","0.0585","0.0593","","","","","","1.047","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570156","10.0602","0.0013","6.7704","0.0009","14.524","0.002","90","","110.168","0.002","90","","928.6","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-<i>N</i>-(4-fluorophenyl)acetamide","","- C20 H17 Cl F N3 O2 -","- C20 H17 Cl F N3 O2 -","- C40 H34 Cl2 F2 N6 O4 -","2","1","HB4454","Assila, Hamza; Ameziane El Hassani, Issam; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef; Ansar, MHammed","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-N-(4-fluorophenyl)acetamide","IUCrData","2023","8","10","x230901","","10.1107/S241431462300901X","","","0.71073","MoKα","","0.061","0.0483","","","0.121","0.1308","","","","","","1.03","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570157","11.7058","0.0008","7.2365","0.0005","7.6864","0.0005","90","","96.374","0.002","90","","647.08","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(<i>O</i>-ethylhydroxylaminium) [di-μ-chlorido-dichloridocadmate(II)]]","","- C4 H16 Cd Cl4 N2 O2 -","- C4 H16 Cd Cl4 N2 O2 -","- C8 H32 Cd2 Cl8 N4 O4 -","2","0.5","WM4199","Tong, Yu-Qiao; Lei, Zi-Qiong; Huang, Bo","Poly[bis(O-ethylhydroxylaminium) [di-μ-chlorido-dichloridocadmate(II)]]","IUCrData","2023","8","10","x230898","","10.1107/S2414314623008982","","","0.71073","MoKα","","0.0238","0.0231","","","0.0539","0.0543","","","","","","1.072","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570191","12.2614","0.0001","10.8318","0.0001","14.6297","0.0001","90","","108.523","0.001","90","","1842.36","0.03","99.98","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate","","- C30 H48 Cl4 F6 N2 Sn -","- C30 H48 Cl4 F6 N2 Sn -","- C60 H96 Cl8 F12 N4 Sn2 -","2","0.5","TK4096","Song, Xueqing; Li, William","Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate","IUCrData","2023","8","10","x230913","","10.1107/S2414314623009136","","","1.54184","CuKα","","0.0285","0.0273","","","0.0735","0.0749","","","","","","1.084","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570232","10.125","0.005","11.222","0.005","15.995","0.007","79.117","0.008","83.484","0.009","72.829","0.008","1701.9","1.4","298","2","298","","","","","","","","","5","P -1","-P 1","2","6,7-Diphenyl-5λ^6^-thia-7-azaspiro[2.6]nonane-5,5,8-trione","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","2","HB4455","Yennawar, Hemant P.; Russell, Michael W.; Silverberg, Lee J.","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide","IUCrData","2023","8","10","x230937","","10.1107/S2414314623009379","","","0.71073","MoKα","","0.1567","0.0785","","","0.1678","0.2067","","","","","","0.913","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570306","13.6565","0.0003","5.8286","0.0002","20.6721","0.0006","90","","92.751","0.002","90","","1643.57","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-<i>N</i>-phenylhydrazinecarbothioamide","","- C18 H23 N3 S -","- C18 H23 N3 S -","- C72 H92 N12 S4 -","4","1","BT4142","Oliveira, Adriano Bof; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","2-{3-Methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-N-phenylhydrazinecarbothioamide","IUCrData","2023","8","11","x230971","","10.1107/S2414314623009719","","x-ray","0.71073","MoKα","","0.0642","0.0393","","","0.0836","0.0945","","","","","","1.064","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570307","10.261","0.005","11.243","0.005","20.198","0.009","84.857","0.015","87.185","0.016","72.525","0.015","2213","1.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis[bis(diphenylphosphanyl)methane-κ^2^<i>P</i>,<i>P</i>']dichloridoruthenium(II)","","- C50 H44 Cl2 P4 Ru -","- C50 H44 Cl2 P4 Ru -","- C100 H88 Cl4 P8 Ru2 -","2","1","WM4201","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","trans-Bis[bis(diphenylphosphanyl)methane-κ2 P,P′]dichloridoruthenium(II): a triclinic polymorph","IUCrData","2023","8","11","x230984","","10.1107/S2414314623009847","","","0.71073","MoKα","","0.0477","0.0337","","","0.0752","0.0829","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570308","9.8996","0.0007","10.0299","0.0007","17.9841","0.0013","73.81","0.003","86.774","0.004","83.592","0.003","1703.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","1-(1-Hydroxycyclohexyl)cyclohexan-1-ol","[1,1'-Bicyclohexane]-1,1'-diol","","- C12 H22 O2 -","- C12 H22 O2 -","- C72 H132 O12 -","6","3","BT4141","Mtendeni, Zukisani; Hosten, Eric Cyriel; Betz, Richard","[1,1′-Bicyclohexane]-1,1′-diol","IUCrData","2023","8","11","x230969","","10.1107/S2414314623009690","","","0.71073","MoKα","","0.0658","0.0421","","","0.0986","0.1101","","","","","","1.023","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570362","9.3312","0.0019","19.124","0.004","9.977","0.002","90","","95.453","0.007","90","","1772.3","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one","","- C21 H15 N3 O S -","- C21 H15 N3 O S -","- C84 H60 N12 O4 S4 -","4","1","HB4458","Koh, Dongsoo","(E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one","IUCrData","2023","8","11","x230997","","10.1107/S2414314623009975","","","0.71073","MoKα","","0.0948","0.0458","","","0.0999","0.1269","","","","","","1.022","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570369","5.04322","0.00003","18.11509","0.00013","14.46487","0.0001","90","","90.46","0.0006","90","","1321.44","0.015","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 1-(4-fluorobenzyl)-1<i>H</i>-indazole-3-carboxylate","","- C16 H13 F N2 O2 -","- C16 H13 F N2 O2 -","- C64 H52 F4 N8 O8 -","4","1","ZL4059","Doi, Takahiro; Sakai, Takayuki","Methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate","IUCrData","2023","8","11","x230995","","10.1107/S2414314623009951","","x-ray","1.54184","CuKα","","0.0315","0.0309","","","0.0772","0.0778","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570478","5.867","0.003","11.79","0.004","27.983","0.009","90","","94.907","0.014","90","","1928.5","1.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fixolide 4-methylthiosemicarbazone","2-{1-[(6<i>R</i>,<i>S</i>)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-<i>N</i>-methylhydrazinecarboamide","","- C20 H31 N3 S -","- C20 H31 N3 S -","- C80 H124 N12 S4 -","4","1","BT4144","Melo, Ana Paula Lopes de; Flores, Alex Fabiani Claro; Bresolin, Leandro; Tirloni, Bárbara; Oliveira, Adriano Bof de","2-{1-[(6R,S)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamide","IUCrData","2023","8","11","x231020","","10.1107/S2414314623010209","","x-ray","0.71073","MoKα","","0.1261","0.0785","","","0.1771","0.2012","","","","","","1.06","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""
"1570479","15.0159","0.0007","8.0595","0.0003","10.8243","0.0005","90","","94.372","0.003","90","","1306.15","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-jasmone thiosemicarbazone","2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C12 H19 N3 S -","- C12 H19 N3 S -","- C48 H76 N12 S4 -","4","1","","Oliveira, Adriano Bof de; Bresolin, Leandro; Gervini, Vanessa Carratu; Beck, Johannes; Daniels, Jörg","A second crystalline modification of 2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2023","8","11","x231018","","10.1107/S2414314623010180","","x-ray","0.71073","MoKα","","0.0798","0.054","","","0.1297","0.1427","","","","","","1.086","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""
"1570560","2.9057","0.0005","2.9057","0.0005","2.9057","0.0005","90","","90","","90","","24.533","0.007","300","2","300","2","","","","","","","","2","P m -3 m","-P 4 2 3","221","Ferroaluminium","Aluminium iron","","- Al Fe0.95 -","- Al Fe0.9499 -","- Al Fe0.9499 -","1","0.0208333","","Liu, Yibo; Liu, Huizi; Fan, Changzeng; Bin, Wen; Zhang, Lifeng","Crystal structure of AlFe0.95","IUCrData","2023","8","12","x231065","","10.1107/S2414314623010659","","","0.71073","MoKα","","0.0097","0.0097","","","0.0262","0.0262","","","","","","1.435","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570561","15.4103","0.0003","10.1338","0.0002","13.4284","0.0002","90","","108.692","0.002","90","","1986.44","0.07","291.15","","291.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tetraaqua(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate dihydrate","","- C12 H26 N2 Ni O12 S2 -","- C12 H26 N2 Ni O12 S2 -","- C48 H104 N8 Ni4 O48 S8 -","4","0.5","WM4202","Suyunov, Jabbor R.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Ibragimov, Aziz B.; Mengnorov, Islombek J.; Rasulov, Abdusamat A.; Ashurov, Jamshid M.","Tetraaqua(ethane-1,2-diamine-κ2 N,N′)nickel(II) naphthalene-1,5-disulfonate dihydrate","IUCrData","2023","8","12","x231032","","10.1107/S2414314623010325","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0847","0.0851","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570593","13.4628","0.0002","17.2828","0.0003","21.7586","0.0004","84.624","0.002","84.857","0.003","85.114","0.004","5005.05","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","<i>meso</i>-α,α-5,15-Bis(<i>o</i>-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate","<i>meso</i>-α,α-5,15-Bis(2-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate","","- C62 H52 N8 O2 -","- C62 H52 N8 O2 -","- C248 H208 N32 O8 -","4","2","BH4080","Sun, Xiaotao; Li, Jianfeng","meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate","IUCrData","2023","8","12","x231085","","10.1107/S2414314623010854","","","0.71073","MoKα","","0.1108","0.0721","","","0.1795","0.2231","","","","","","1.07","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""
"2300520","7.53","","7.53","","7.53","","90","","90","","90","","426.958","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Os2 Pu -","- Os2 Pu -","- Os16 Pu8 -","8","0.0416667","","Roof, R.B.jr.","Crystal data of two polymorphic forms of Pu Os2","Journal of Applied Crystallography","1975","8","","687","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310179","6.59","","6.76","","7.06","","106.08","","101.87","","92.79","","293.872","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Hg K -","- Hg K -","- Hg4 K4 -","4","2","","Duwell, E.J.; Baenziger, N.C.","The crystal structures of K Hg and K Hg2","Acta Crystallographica (1,1948-23,1967)","1955","8","","705","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310180","8.1","","5.16","","8.77","","90","","90","","90","","366.551","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Hg2 K -","- Hg2 K -","- Hg8 K4 -","4","0.25","","Duwell, E.J.; Baenziger, N.C.","The crystal structures of K Hg and K Hg2","Acta Crystallographica (1,1948-23,1967)","1955","8","","705","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310208","5.769","","5.769","","9.64","","90","","90","","120","","277.849","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd3 U -","- Pd3 U -","- Pd12 U4 -","4","0.166667","","Hael, T.J.; Williams, G.I.","Compounds of uranium with the transition metals of the second and third long period","Acta Crystallographica (1,1948-23,1967)","1955","8","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310209","5.764","","5.764","","4.899","","90","","90","","120","","140.957","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pt3 U -","- Pt3 U -","- Pt6 U2 -","2","0.0833333","","Hael, T.J.; Williams, G.I.","Compounds of uranium with the transition metals of the second and third long period","Acta Crystallographica (1,1948-23,1967)","1955","8","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310312","9.07","","17.01","","4.74","","90","","90","","90","","731.291","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Cr9.61 Mo25.12 Ni21.27 -","- Cr9.608 Mo25.12 Ni21.272 -","- Cr9.608 Mo25.12 Ni21.272 -","1","0.125","","Shoemaker, C.B.; Shoemaker, D.P.","A variation on the sigma-phase structure: the structure of the P phase, Mo - Ni - Cr","Acta Crystallographica (1,1948-23,1967)","1955","8","","734","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310803","5.704","","5.704","","6.699","","90","","90","","90","","217.956","","","","","","","","","","","","","2","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","","","- K O2 -","- K O2 -","- K4 O8 -","4","","","Abrahams, S.C.; Kalnajs, J.","The crystal structure of alpha-potassium superoxide","Acta Crystallographica (1,1948-23,1967)","1955","8","","503","506","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310804","10.437","","12.845","","24.369","","90","","90","","90","","3266.99","","","","","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","Abrahams, S.C.","The crystal and molecular structure of orthorhombic sulphur","Acta Crystallographica (1,1948-23,1967)","1955","8","","661","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310811","6.815","","6.815","","4.136","","90","","90","","120","","166.358","","","","","","","","","","","","","2","P -3","-P 3","147","","U3 O8","","- O8 U3 -","- O8 U3 -","- O8 U3 -","1","0.166667","","Siegel, S.","The crystal structure of trigonal U3 O8","Acta Crystallographica (1,1948-23,1967)","1955","8","","617","619","","","","","","","","","","","","","","","","","","","","","","has coordinates","161931","2020-10-21","18:00:00",""
"2310816","7.07","","12.12","","10.66","","90","","90","","90","","913.438","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Cu (N H3)4 S O4 H2 O","","- Cu H14 N4 O5 S -","- Cu H14 N4 O5 S -","- Cu4 H56 N16 O20 S4 -","4","0.5","","Mazzi, F.","The crystal structure of cupric tetrammine sulfate monohydrate, Cu (N H3)4 S O4 H2 O","Acta Crystallographica (1,1948-23,1967)","1955","8","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310817","12.26","","12.26","","12.26","","90","","90","","90","","1842.77","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Sn I4","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Meller, F.; Fankuchen, I.","The crystal structure of tin tetraiodide","Acta Crystallographica (1,1948-23,1967)","1955","8","","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310819","7.297","","4.392","","4.885","","90","","90","","90","","156.557","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","N H2 O H","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Meyers, E.A.; Lipscomb, W.N.","The crystal structure of hydroxylamine","Acta Crystallographica (1,1948-23,1967)","1955","8","","583","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310822","7.678","","7.678","","7.678","","90","","90","","90","","452.631","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","H P F6 (H2 O)6","","- F6 H13 O6 P -","- F6 H12 O6 P -","- F12 H24 O12 P2 -","2","0.0208333","","Bode, H.; Teufer, G.","Die Kristallstruktur der Hexafluorophosphorsaeure","Acta Crystallographica (1,1948-23,1967)","1955","8","","611","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310823","6.86","","9.98","","11.09","","90","","90","","90","","759.252","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","","","- Cs I3 -","- Cs I3 -","- Cs4 I12 -","4","0.5","","Tasman, H.A.; Boswijk, K.H.","Re-investigation of the crystal structure of Cs I3","Acta Crystallographica (1,1948-23,1967)","1955","8","","59","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310825","6.971","","6.971","","6.165","","90","","90","","120","","259.45","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Hg2 N H Br2","","- Br2 H Hg2 N -","- Br2 Hg2 N -","- Br4 Hg4 N2 -","2","0.333333","","Brodersen, K.","Die Struktur von Hg2 N H Br2","Acta Crystallographica (1,1948-23,1967)","1955","8","","723","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310844","3.798","","3.798","","3.798","","90","","90","","90","","54.785","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti O F2","","- F2 O Ti -","- F2.01 O0.99 Ti -","- F2.01 O0.99 Ti -","1","0.0208333","","Vorres, K.; Donohue, J.","The structure of titanium oxydifluoride","Acta Crystallographica (1,1948-23,1967)","1955","8","","25","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310845","7.54","","7.54","","8.22","","90","","117.2","","120","","343.746","","","","","","","","","","","","","4","P -1","-P 1","2","","Zn Mn3 O7 (H2 O)3","","- H6 Mn3 O10 Zn -","- Mn3 O10 Zn -","- Mn6 O20 Zn2 -","2","1","","Wadsley, A.D.","The crystal structure of chalcophanite, Zn Mn3 O7 (H2 O)3","Acta Crystallographica (1,1948-23,1967)","1955","8","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310846","10.08","","3.61","","15.44","","90","","109.6","","90","","529.288","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Na V6 O15","","- Na O15 V6 -","- Na O15 V6 -","- Na2 O30 V12 -","2","0.25","","Wadsley, A.D.","The crystal structure of Na2-x V6 O15","Acta Crystallographica (1,1948-23,1967)","1955","8","","695","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","206168","2020-10-21","18:00:00",""
"2310854","7.352","","7.352","","7.235","","90","","90","","120","","338.673","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K (As F6)","","- As F6 K -","- As F6 K -","- As3 F18 K3 -","3","0.166667","","Roof, R.B.jr.","The crystal structure of K As F6","Acta Crystallographica (1,1948-23,1967)","1955","8","","739","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310855","10.82","","5.23","","3.57","","90","","90","","90","","202.021","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","H N C O","","- C H N O -","- C H N O -","- C4 H4 N4 O4 -","4","0.5","","von Dohlen, W. C.; Carpenter, G. B.","The crystal structure of isocyanic acid","Acta Crystallographica (1,1948-23,1967)","1955","8","10","646","651","10.1107/S0365110X55002016","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310904","7.509","","7.509","","7.509","","90","","90","","90","","423.396","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 U -","- Ir2 U -","- Ir16 U8 -","8","0.0416667","","Hael, T.J.; Williams, G.I.","Compounds of uranium with the transition metals of the second and third long period","Acta Crystallographica (1,1948-23,1967)","1955","8","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311049","17.01","","4.74","","9.07","","90","","90","","90","","731.291","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cr9 Mo21 Ni20)1.12","","- Cr10.08 Mo23.52 Ni22.4 -","- Cr10.08 Mo23.52 Ni22.4 -","- Cr10.08 Mo23.52 Ni22.4 -","1","0.125","","Shoemaker, C.B.; Shoemaker, D.P.","A variation on the sigma-phase structure: the crystal structure of the P phase, Mo - Ni - Cr","Acta Crystallographica (1,1948-23,1967)","1955","8","","734","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","172171","2020-10-21","18:00:00",""
"3000167","4.6226","0.001","12.6213","0.003","5.0321","0.001","90","","90","","90","","293.59","0.11","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Sr (Al D5)","","- Al D5 Sr -","- Al D5 Sr -","- Al4 D20 Sr4 -","4","0.5","","Sato, Toyoto; Takagi, Shigeyuki; Sorby, Magnus H.; Deledda, Stefano; Hauback, Bjorn C.; Orimo, Shin-ichi","Crystal Structural Determination of SrAlD5 with Corner-sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction","Crystals","2018","8","","89","","10.3390/cryst8020089","","","","","","","","","","","","","","","","","","","","","has coordinates","206345","2020-10-21","18:00:00",""
"4001653","6.794","0.002","15.525","0.002","10.496","0.002","90","","90.54","0.02","90","","1107","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl7 Er -","- Ba2 Cl7 Er -","- Ba8 Cl28 Er4 -","4","1","","Wickleder, M. S.; Egger, P.; Riedener, T.; Furer, N.; Güdel, H. U.; Hulliger, J.","Synthesis and Crystal Structure of the New Ternary Halide Series Ba2MCl7(M = Gd−Yb, Y) Containing the Highly Efficient Up-Conversion Material Ba2ErCl7","Chemistry of Materials","1996","8","12","2828","","10.1021/cm960324f","","","0.71073","MoKα","","0.034","0.0255","","0.0751","0.0681","","","","1.175","1.141","1.141","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001654","6.8261","0.001","15.584","0.002","10.5578","0.001","90","","90.67","0.01","90","","1123","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl7 Gd -","- Ba2 Cl7 Gd -","- Ba8 Cl28 Gd4 -","4","1","","Wickleder, M. S.; Egger, P.; Riedener, T.; Furer, N.; Güdel, H. U.; Hulliger, J.","Synthesis and Crystal Structure of the New Ternary Halide Series Ba2MCl7(M = Gd−Yb, Y) Containing the Highly Efficient Up-Conversion Material Ba2ErCl7","Chemistry of Materials","1996","8","12","2828","","10.1021/cm960324f","","","0.71073","MoKα","","0.0284","0.0226","","0.0715","0.069","","","","1.052","1.072","1.072","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002639","13.6447","","13.6447","","19.72928","","90","","90","","120","","3181.04","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Na3.06 H4.14 (Al7.2 Si40.8 O96)","","- Al7.2 H4.14 Na3.06 O96 Si40.8 -","- Al7.2 Na3.06 O96 Si40.8 -","- Al7.2 Na3.06 O96 Si40.8 -","1","0.0416667","","Lobo, R.F.; Zones, S.I.; Medrud, R.C.","Synthesis and rietveld refinement of the small-pore zeolite SSZ-16","Chemistry of Materials (1,1989-)","1996","8","","2409","2411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4029712","15.0119","0.0006","3.99067","0.00018","22.8802","0.0009","90","","93.428","0.004","90","","1368.24","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br2 N2 O3 -","- C13 H12 Br2 N2 O3 -","- C52 H48 Br8 N8 O12 -","4","1","","Gonsior, Nina; Mohr, Fabian; Ritter, Helmut","Synthesis of mesomeric betaine compounds with imidazolium-enolate structure.","Beilstein journal of organic chemistry","2012","8","","390","397","10.3762/bjoc.8.42","","","1.5418","CuKα","","0.0374","0.0317","","","0.0895","0.0921","","","","","","1.038","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029713","22.587","0.003","5.7481","0.0008","16.118","0.002","90","","90","","90","","2092.6","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","1","","Sun, Jing; Gao, Hong; Wu, Qun; Yan, Chao-Guo","Facile synthesis of functionalized tetrahydroquinolines via domino Povarov reactions of arylamines, methyl propiolate and aromatic aldehydes.","Beilstein journal of organic chemistry","2012","8","","1839","1843","10.3762/bjoc.8.211","","","0.71073","MoKα","","0.045","0.0355","","","0.0792","0.085","","","","","","1.038","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029714","11.7117","0.0002","11.9571","0.0002","32.2561","0.0006","90","","92.6441","0.0014","90","","4512.27","0.14","100","","100","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Fe N6 -","- C26 H26 Fe N6 -","- C208 H208 Fe8 N48 -","8","2","","White, Nicholas G.; Beer, Paul D.","A ferrocene redox-active triazolium macrocycle that binds and senses chloride.","Beilstein journal of organic chemistry","2012","8","","246","252","10.3762/bjoc.8.25","","","0.6889","Synchrotron","","0.0673","0.0656","","0.1525","0.1523","0.1525","","","","","","1.0444","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029715","21.1393","0.0008","11.1627","0.0002","9.8316","0.0002","90","","101.439","0.003","90","","2273.9","0.11","120","","120","","","","","","","","synthesised","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Fe2 N12 -","- C52 H52 Fe2 N12 -","- C104 H104 Fe4 N24 -","2","0.5","","White, Nicholas G.; Beer, Paul D.","A ferrocene redox-active triazolium macrocycle that binds and senses chloride.","Beilstein journal of organic chemistry","2012","8","","246","252","10.3762/bjoc.8.25","","","0.6889","Synchrotron","","0.0645","0.0495","","0.098","0.0914","0.098","","","","","","0.9278","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029716","10.5893","0.0006","19.1221","0.0011","12.1578","0.0007","90","","100.076","0.002","90","","2423.9","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H21 Au I N3 O -","- C27 H21 Au I N3 O -","- C108 H84 Au4 I4 N12 O4 -","4","2","","Wang, Feijun; Li, Shengke; Qu, Mingliang; Zhao, Mei-Xin; Liu, Lian-Jun; Shi, Min","Synthesis of axially chiral oxazoline-carbene ligands with an N-naphthyl framework and a study of their coordination with AuCl·SMe(2).","Beilstein journal of organic chemistry","2012","8","","726","731","10.3762/bjoc.8.81","","","0.71073","MoKα","","0.0238","0.0228","","","0.0576","0.0581","","","","","","1.03","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029717","10.4511","0.0007","9.1426","0.0006","16.1139","0.0011","90","","105.858","0.001","90","","1481.09","0.17","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H36 Cl N3 O2 S -","- C31 H36 Cl N3 O2 S -","- C62 H72 Cl2 N6 O4 S2 -","2","1","","Callebaut, Gert; Mangelinckx, Sven; Van der Veken, Pieter; Törnroos, Karl W; Augustyns, Koen; De Kimpe, Norbert","Asymmetric synthesis of γ-chloro-α,β-diamino- and β,γ-aziridino-α-aminoacylpyrrolidines and -piperidines via stereoselective Mannich-type additions of N-(diphenylmethylene)glycinamides across α-chloro-N-sulfinylimines.","Beilstein journal of organic chemistry","2012","8","","2124","2131","10.3762/bjoc.8.239","","","0.71073","MoKα","","0.0603","0.0595","","","0.1511","0.1523","","","","","","1.083","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029718","9.7263","0.0006","12.2692","0.0007","17.1677","0.0012","90","","90","","90","","2048.7","0.2","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl Fe N2 O2 -","- C23 H23 Cl Fe N2 O2 -","- C92 H92 Cl4 Fe4 N8 O8 -","4","1","","Takebayashi, Satoshi; Shizuno, Tsubasa; Otani, Takashi; Shibata, Takanori","Rh(III)-catalyzed directed C-H bond amidation of ferrocenes with isocyanates.","Beilstein journal of organic chemistry","2012","8","","1844","1848","10.3762/bjoc.8.212","","","0.71075","MoKα","","","0.0304","","","","0.0753","","","","","","1.027","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029719","9.528","0.0006","9.6271","0.0006","16.3779","0.001","90","","90","","90","","1502.3","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O3 -","- C16 H14 Br N O3 -","- C64 H56 Br4 N4 O12 -","4","1","","Deng, Hong-Ping; Wang, De; Wei, Yin; Shi, Min","Chiral multifunctional thiourea-phosphine catalyzed asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates with maleimides.","Beilstein journal of organic chemistry","2012","8","","1098","1104","10.3762/bjoc.8.121","","","0.71073","MoKα","","0.0577","0.0384","","","0.09","0.0995","","","","","","1.024","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029720","13.8017","0.0007","17.0279","0.0009","18.9988","0.0014","89.971","0.007","80.984","0.007","70.15","0.008","4141.1","0.5","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C89.5 H89 Cl2 N2 Pd -","- C89.5 H89 Cl2 N2 Pd -","- C179 H178 Cl4 N4 Pd2 -","2","1","","Martin, Anthony R.; Chartoire, Anthony; Slawin, Alexandra M. Z.; Nolan, Steven P.","Extending the utility of [Pd(NHC)(cinnamyl)Cl] precatalysts: Direct arylation of heterocycles.","Beilstein journal of organic chemistry","2012","8","","1637","1643","10.3762/bjoc.8.187","","","0.71075","MoKα","","","0.0843","","","","0.2577","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029721","13.7345","0.0013","12.6611","0.0009","25.128","0.002","90","","93.942","0.008","90","","4359.3","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H21 N13 -","- C56 H21 N13 -","- C224 H84 N52 -","4","1","","Avellaneda, Antonio; Hollis, Courtney A.; He, Xin; Sumby, Christopher J.","Fluorescent hexaaryl- and hexa-heteroaryl[3]radialenes: Synthesis, structures, and properties.","Beilstein journal of organic chemistry","2012","8","","71","80","10.3762/bjoc.8.7","","","0.7107","MoKα","","0.1324","0.0682","","","0.1296","0.1608","","","","","","1.025","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029722","17.373","0.011","17.241","0.011","24.421","0.016","90","","91.219","0.009","90","","7313","8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H19 N O -","- C23 H19 N O -","- C368 H304 N16 O16 -","16","4","","Lu, Nianhong; Wang, Lihong; Li, Zhanshan; Zhang, Wei","A concise synthesis of 3-(1-alkenyl)isoindolin-1-ones and 5-(1-alkenyl)pyrrol-2-ones by the intermolecular coupling reactions of N-acyliminium ions with unactivated olefins.","Beilstein journal of organic chemistry","2012","8","","192","200","10.3762/bjoc.8.21","","","0.71073","MoKα","","0.1786","0.0696","","","0.1427","0.1999","","","","","","0.959","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029723","7.8821","0.0016","18.975","0.004","15.737","0.003","90","","92.84","0.03","90","","2350.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Li N O4 -","- C22 H38 Li N O4 -","- C88 H152 Li4 N4 O16 -","4","1","","Wheatley, Andrew E. H.; Clayden, Jonathan; Hillier, Ian H.; Campbell Smith, Alison; Vincent, Mark A.; Taylor, Laurence J.; Haywood, Joanna","On the control of secondary carbanion structure utilising ligand effects during directed metallation.","Beilstein journal of organic chemistry","2012","8","","50","60","10.3762/bjoc.8.5","","","0.71073","MoKα","","0.1263","0.0938","","","0.2489","0.2729","","","","","","1.04","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029724","9.6194","0.0002","29.1721","0.0008","10.0296","0.0003","90","","102.643","0.002","90","","2746.24","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Li N4 O -","- C25 H47 Li N4 O -","- C100 H188 Li4 N16 O4 -","4","1","","Wheatley, Andrew E. H.; Clayden, Jonathan; Hillier, Ian H.; Campbell Smith, Alison; Vincent, Mark A.; Taylor, Laurence J.; Haywood, Joanna","On the control of secondary carbanion structure utilising ligand effects during directed metallation.","Beilstein journal of organic chemistry","2012","8","","50","60","10.3762/bjoc.8.5","","","0.7107","MoKα","","0.1008","0.0493","","","0.1121","0.1261","","","","","","0.976","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029725","11.405","0.002","14.943","0.003","10.8676","0.0018","90","","90","","90","","1852.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H21 N3 O6 -","- C19 H21 N3 O6 -","- C76 H84 N12 O24 -","4","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.028","0.0271","","","0.0667","0.0672","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029726","6.4732","0.0005","10.4674","0.0007","14.5108","0.001","90","","95.05","0.001","90","","979.4","0.12","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C46 H46 N6 O8 -","2","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0276","0.0273","","","0.0713","0.0715","","","","","","1.088","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029727","15.0761","0.0019","10.72","0.0013","23.726","0.003","90","","90","","90","","3834.5","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C184 H184 N24 O32 -","8","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0718","0.0416","","","0.093","0.1026","","","","","","0.891","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029728","6.6527","0.0001","14.3997","0.0002","14.2861","0.0002","90","","91.7612","0.0006","90","","1367.92","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O6 -","- C13 H16 N2 O6 -","- C52 H64 N8 O24 -","4","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0502","0.0356","","0.0865","0.0814","0.0865","","","","","","0.9401","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029729","20.7471","0.0006","7.3739","0.0002","12.0188","0.0003","90","","90.9587","0.0014","90","","1838.46","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0891","0.0501","","0.1558","0.1161","0.1558","","","","","","0.9724","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029730","27.975","0.005","27.975","0.005","48.786","0.017","90","","90","","90","","38180","16","150","2","150","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C66 H70 F12 N8 O20 Ru4 S4 -","- C66 H70 F12 N8 O20 Ru4 S4 -","- C1056 H1120 F192 N128 O320 Ru64 S64 -","16","1","","Shanmugaraju, Sankarasekaran; Samanta, Dipak; Mukherjee, Partha Sarathi","Self-assembly of Ru(4) and Ru(8) assemblies by coordination using organometallic Ru(II)(2) precursors: Synthesis, characterization and properties.","Beilstein journal of organic chemistry","2012","8","","313","322","10.3762/bjoc.8.34","","","0.71073","MoKα","","0.3104","0.1152","","","0.2819","0.4337","","","","","","1.04","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029731","13.8087","0.0013","18.1428","0.0014","15.5037","0.0013","90","","103.271","0.003","90","","3780.4","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 Ag2 F6 Ir2 N2 O8 P4 S2 -","- C64 H100 Ag2 F6 Ir2 N2 O8 P4 S2 -","- C128 H200 Ag4 F12 Ir4 N4 O16 P8 S4 -","2","0.5","","Whited, Matthew T.","Metal-ligand multiple bonds as frustrated Lewis pairs for C-H functionalization.","Beilstein journal of organic chemistry","2012","8","","1554","1563","10.3762/bjoc.8.177","","","0.71073","MoKα","","0.0655","0.0324","","","0.0457","0.0478","","","","","","1.977","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331453","7.503","","7.503","","10.784","","90","","90","","90","","607.085","","","","","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","Zn (N H3)4 (B8 H8)","","- B8 H8 N4 Zn -","- B8 H8 N4 Zn -","- B16 H16 N8 Zn2 -","2","0.125","","Guggenberger, L.J.","The Crystal Structure of Tetraamminezinc Octahydrooctaborate(-2), Zn (N H3)4 (B8 H8)","Inorganic Chemistry","1969","8","","2771","2774","10.1021/ic50082a046","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331455","13.893","","10.578","","6.075","","90","","90","","90","","892.783","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","B4 F6 P F3","","- B4 F9 P -","- B4 F9 P -","- B16 F36 P4 -","4","0.5","","de Boer, B.G.; Templeton, D.H.; Zalkin, A.","The crystal and molecular structure of phosphorus trifluoride-tris(difluoroboryl)borane, B4 F6 P F3","Inorganic Chemistry","1969","8","","836","841","10.1021/ic50074a028","","","","","","","","","","","","","","","","","","","","","has coordinates","301839","2025-08-20","22:57:35",""
"4343742","7.608","","10.616","","11.101","","90","","108.5","","90","","850.257","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Eu4 Al2 O9","","- Al2 Eu4 O9 -","- Al2 Eu4 O9 -","- Al8 Eu16 O36 -","4","1","","Brandle, C.D.; Steinfink, H.","The crystal structure of Eu4 Al2 O9","Inorganic Chemistry","1969","8","","1320","1324","","","","","","","","","","","","","","","","","","","","","","has coordinates","148572","2020-10-21","18:00:00",""
"4343756","7.089","","19.24","","20.682","","90","","98","","90","","2793.41","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Cs2 (B9 C2 H11) Co (B8 C2 H10) Co (B9 C2 H11) H2 O","","- C6 H34 B26 Co2 Cs2 O -","- C6 H32 B26 Co2 Cs2 O -","- C24 H128 B104 Co8 Cs8 O4 -","4","1","","Clair, D.S.; Templeton, D.H.; Zalkin, A.","The crystal structure of Cs2 (B9 C2 H11) Co (B8 C2 H10) Co (B9 C2 H11) H2 O)","Inorganic Chemistry","1969","8","","2080","2086","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343765","3.438","","11.88","","4.725","","90","","90","","90","","192.985","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","","","- Nb P S -","- Nb P S -","- Nb4 P4 S4 -","4","0.25","","Donohue, P.C.; Bierstedt, P.E.","The synthesis, crystal structure, and superconducting properties of niobium phosphorus sulfide, niobium phosphorus selenide, and tantalum phosphorus sulfide","Inorganic Chemistry","1969","8","","2690","2694","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343766","3.462","","12.33","","4.821","","90","","90","","90","","205.791","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","","","- Nb P Se -","- Nb P Se -","- Nb4 P4 Se4 -","4","0.25","","Donohue, P.C.; Bierstedt, P.E.","The synthesis, crystal structure, and superconducting properties of niobium phosphorus sulfide, niobium phosphorus selenide, and tantalum phosphorus sulfide","Inorganic Chemistry","1969","8","","2690","2694","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343770","24.18","","12.69","","14.14","","90","","92.1","","90","","4335.86","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na12 (Mn Nb12 O38) (H2 O)50","","- Mn Nb12 O86 -","- Mn Nb12 O86 -","- Mn2 Nb24 O172 -","2","0.5","","Flynn, C.M.; Stucky, G.D.","The crystal structure of sodium 12-niobomanganate(IV), Na12 Mn Nb12 O38 (H2 O)50","Inorganic Chemistry","1969","8","","335","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343771","11.72","","6.74","","9.65","","90","","107.8","","90","","725.79","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Mn (N O) (C O)4","","- C4 Mn N O5 -","- C4 Mn N O5 -","- C16 Mn4 N4 O20 -","4","0.5","","Frenz, B.A.; Enemark, J.H.; Ibers, J.A.","The structure of nitrosyltetracarbonylmanganese, Mn (N O) (C O)4","Inorganic Chemistry","1969","8","","1288","1293","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343773","8.4","","7.17","","19.52","","90","","97.3","","90","","1166.12","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cu2 (N S C)3 (N H3)3","","- C3 H9 Cu2 N6 S3 -","- C3 Cu2 N6 S3 -","- C12 Cu8 N24 S12 -","4","1","","Garaj, J.","The crystal chemistry of tri-mue-thiocyanato-triammine copper(I)copper(II)","Inorganic Chemistry","1969","8","","304","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","148955","2020-10-21","18:00:00",""
"4343774","6.846","","6.846","","5.744","","90","","90","","120","","233.141","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba Ta S3","","- Ba S3 Ta -","- Ba S3 Ta -","- Ba2 S6 Ta2 -","2","0.0833333","","Gardner, R.A.; Vlasse, M.; Wold, A.","Electrical properties and crystal structure of barium tantalum sulfide, Ba Ta S3","Inorganic Chemistry","1969","8","","2784","2787","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343777","12.85","","5.912","","7.434","","90","","111.2","","90","","526.535","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(N H4)2 Zn (N H3)2 (Cr O4)2","","- Cr2 H14 N4 O8 Zn -","- Cr2 N4 O8 Zn -","- Cr4 N8 O16 Zn2 -","2","0.25","","Harel, M.; Knobler, C.; McCullough, J.D.","The crystal structure of the ammonium salt of catena-di-mue-chromato-diamminezincate(II), (N H4)2 (Zn (N H3)2 (Cr O4)2)","Inorganic Chemistry","1969","8","","11","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343779","7.374","","6.811","","8.185","","90","","90","","90","","411.086","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","K Xe O3 F","","- F K O3 Xe -","- F K O3 Xe -","- F4 K4 O12 Xe4 -","4","1","","Hodgson, D.J.; Ibers, J.A.","The crystal and molecular structure of potassium monofluoroxenate(VI), K Xe O3 F","Inorganic Chemistry","1969","8","","326","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343785","12.508","","15.196","","5.448","","90","","90","","90","","1035.51","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Re2 O7","","- O7 Re2 -","- O7 Re2 -","- O56 Re16 -","8","2","","Krebs, B.; Mueller, A.; Beyer, H.H.","The crystal structure of rhenium(VII) oxide","Inorganic Chemistry","1969","8","","436","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","149375","2020-10-21","18:00:00",""
"4343793","5.487","","5.487","","14.51","","90","","90","","120","","378.328","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- In2 O3 -","- In2 O3 -","- In12 O18 -","6","0.166667","","Prewitt, C.T.; Rogers, D.B.; Shannon, R.D.; Sleight, W.W.","The C rare earth oxide-corundum transition and crystal chemistry of oxides having the corundum structure","Inorganic Chemistry","1969","8","","1985","1993","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343799","8.93","","5.921","","7.488","","90","","90","","90","","395.924","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K Br O4","","- Br K O4 -","- Br K O4 -","- Br4 K4 O16 -","4","0.5","","Siegel, S.; Tani, B.S.; Appelman, E.","The crystal structure of potassium perbromate","Inorganic Chemistry","1969","8","","1190","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343801","4.4493","","4.4493","","11.8037","","90","","90","","120","","202.363","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al H3 -","- Al H3 -","- Al6 H18 -","6","0.166667","","Turley, J.W.; Rinn, H.W.","The crystal structure of aluminium hydride","Inorganic Chemistry","1969","8","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343802","4.4309","","4.4309","","11.7744","","90","","90","","120","","200.195","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al D3 -","- Al D3 -","- Al6 D18 -","6","0.166667","","Turley, J.W.; Rinn, H.W.","The crystal structure of aluminium hydride","Inorganic Chemistry","1969","8","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343805","12.16","","6.28","","19.34","","90","","91.2","","90","","1476.57","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","H Mn (C O)5","","- C5 H Mn O5 -","- C5 H Mn O5 -","- C40 H8 Mn8 O40 -","8","1","","la Placa, S.J.; Hamilton, W.C.; Davison, A.; Ibers, J.A.","Nature of the metal-hydrogen bond in transition metal-hydrogen complexes: Neutron and X-ray diffraction studies of beta pentacarbonylmanganese hydride","Inorganic Chemistry","1969","8","","1928","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343806","14.23","","20.26","","5.62","","90","","90","","90","","1620.24","","","","","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- B10 D14 -","- B5 D7 -","- B40 D56 -","8","2","","Tippe, A.; Hamilton, W.C.","Neutron diffraction study of decaborane","Inorganic Chemistry","1969","8","","464","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343832","9.1908","","16.0054","","9.6791","","90","","115.289","","90","","1287.37","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H16 N O12 P3 Zn -","- C3 H16 N O12 P3 Zn -","- C12 H64 N4 O48 P12 Zn4 -","4","1","","Demadis, K.D.; Katarachia, S.D.; Koutmos, M.","Crystal growth and characterization of zinc-(amino-tris-(methylenephosphonate)) organic-inorganic hybrid networks and their inhibiting effect on metallic corrosion","Inorganic Chemistry Communications","2005","8","","254","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344145","10.814","","16.706","","26.273","","90","","90","","90","","4746.45","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pb6 O (O H)6 (Cl O4)4 (H2 O)","","- Cl4 H8 O24 Pb6 -","- Cl4 O24 Pb6 -","- Cl32 O192 Pb48 -","8","1","","Spiro, G.T.; Zalkin, A.; Templeton, D.H.","The Crystal Structure of a Hexanuclear Basic Lead(II) Perchlorate Hydrate: Pb6 O (O H)6 (Cl O4)4 (H2 O)","Inorganic Chemistry","1969","8","","856","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344162","7.026","","12.098","","7.439","","90","","90","","90","","632.319","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(N H4)2 Ce F6","","- Ce F6 H8 N2 -","- Ce F6 N2 -","- Ce4 F24 N8 -","4","0.5","","Ryan, R.R.; Kruse, F.H.; Larson, A.C.","Crystal Structure of Ammonium Hexafluorocerate(IV), (N H4)2 Ce F6","Inorganic Chemistry","1969","8","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344191","7.19","","7.19","","16.662","","90","","90","","120","","745.96","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Rb3 (Mo2 Cl8)","","- Cl8 Mo2 Rb3 -","- Cl8.0001 Mo2 Rb3 -","- Cl16.0002 Mo4 Rb6 -","2","0.166667","","Bennett, M.J.; Brencic, J.V.; Cotton, F.A.","The preparation and structural characterization of trirubidium octachlorodimolybdenum. A binuclear structure with strong metal-metal bonding.","Inorganic Chemistry","1969","8","","1060","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","160793","2020-10-21","18:00:00",""
"4344195","8.005","","13.267","","8.059","","90","","90","","90","","855.885","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","K4 Mo2 Cl8 (H2 O)2","","- Cl8 H4 K4 Mo2 O2 -","- Cl8 K4 Mo2 O2 -","- Cl16 K8 Mo4 O4 -","2","0.25","","Brencic, J.V.; Cotton, F.A.","The Octachlorodimolybdate(II) Ion. A New Species with a Quadruple Metal-Metal Bond","Inorganic Chemistry","1969","8","","7","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344197","13.27","","9.85","","6.84","","90","","90","","90","","894.053","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K2 Os N Cl5","","- Cl5 K2 N Os -","- Cl5 K2 N Os -","- Cl20 K8 N4 Os4 -","4","0.5","","Bright, D.; Ibers, J.A.","Studies of Metal-Nitrogen Multiple Bonds. V. The Crystal Structure of Potassium Nitridopentachloroosmate(VI), K2 Os N Cl5","Inorganic Chemistry","1969","8","","709","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344211","8.451","","13.196","","17.304","","90","","103.9","","90","","1873.22","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((N H3)4 Co (N H2) (O2) Co (N H3)4) (N O3)4","","- Co2 H26 N13 O14 -","- Co2 H26 N13 O14 -","- Co8 H104 N52 O56 -","4","1","","Christoph, G.G.; Schaefer, W.P.; Marsh, R.E.","The Crystal Structure of mue-Amido-mue-superoxobis(tetraamminecobalt(III)) Tetranitrate ((N H3)4 Co (N H2) (O2) Co (N H3)4) (N O3)4","Inorganic Chemistry","1969","8","","291","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344318","8.225","","8.225","","8.225","","90","","90","","90","","556.426","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Tm2.667 S4","","- S4 Tm2.667 -","- S4 Tm2.667 -","- S16 Tm10.668 -","4","0.0833333","","Eatough, N.L.; Webb, A.W.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquichalcogenides","Inorganic Chemistry","1969","8","","2069","2071","","","","","","","","","","","","","","","","","","","","","","has coordinates","166177","2020-10-21","18:00:00",""
"4344319","8.306","","8.306","","8.306","","90","","90","","90","","573.028","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Y2.667 S4","","- S4 Y2.667 -","- S4 Y2.667 -","- S16 Y10.668 -","4","0.0833333","","Eatough, N.L.; Hall, H.T.; Webb, A.W.","High-pressure Th3P4-type polymorphs of rare earth sesquichalcogenides","Inorganic Chemistry","1969","8","","2069","2071","","","","","","","","","","","","","","","","","","","","","","has coordinates","166180","2020-10-21","18:00:00",""
"4344320","8.224","","8.224","","8.224","","90","","90","","90","","556.223","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Yb2.667 S4","","- S4 Yb2.667 -","- S4 Yb2.667 -","- S16 Yb10.668 -","4","0.0833333","","Eatough, N.L.; Webb, A.W.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquichalcogenides","Inorganic Chemistry","1969","8","","2069","2071","","","","","","","","","","","","","","","","","","","","","","has coordinates","166183","2020-10-21","18:00:00",""
"4344321","8.265","","8.265","","8.265","","90","","90","","90","","564.584","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Ho2.667 S4 -","- Ho2.667 S4 -","- Ho10.668 S16 -","4","0.0833333","","Eatough, N.L.; Webb, A.W.; Hall, H.T.","Highpressure Th3P4-type polymorphs of rare earth sesquichalcogenides","Inorganic Chemistry","1969","8","","2069","2071","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344322","8.614","","8.614","","8.614","","90","","90","","90","","639.167","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Ho2.667 Se4 -","- Ho2.667 Se4 -","- Ho10.668 Se16 -","4","0.0833333","","Eatough, N.L.; Webb, A.W.; Hall, H.T.","Highpressure Th3P4-type polymorphs of rare earth sesquichalcogenides","Inorganic Chemistry","1969","8","","2069","2071","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344323","8.198","","8.198","","8.198","","90","","90","","90","","550.965","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Lu2.667 S4 -","- Lu2.667 S4 -","- Lu10.668 S16 -","4","0.0833333","","Eatough, N.L.; Webb, A.W.; Hall, H.T.","High-pressure Th3P4-type polymorphs of rare earth sesquichalcogenides","Inorganic Chemistry","1969","8","","2069","2071","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344329","12.318","","3.6491","","6.2821","","90","","118.36","","90","","248.487","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ni Rh2 Se4 -","- Ni Rh2 Se4 -","- Ni2 Rh4 Se8 -","2","0.25","","Bouchard, R.J.","The crystal structure and transport properties of Ni Rh2 Se4","Inorganic Chemistry","1969","8","","850","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344516","9.24","","12.02","","17.74","","90","","90.01","","90","","1970.29","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rh4 (C O)12","","- C12 O12 Rh4 -","- C12 O12 Rh4 -","- C48 O48 Rh16 -","4","1","","Wei, C.H.","Structural analyses of tetracobalt dodecacarbonyl and tetrarhodium dodecacarbonyl. crystallographic treatments of a disordered structure and a twinned composite","Inorganic Chemistry","1969","8","","2384","2397","","","","","","","","","","","","","","","","","","","","","","has coordinates","173227","2020-10-21","18:00:00",""
"4500039","11.905","0.005","12.714","0.005","27.347","0.01","90","","90","","90","","4139","3","226","2","226","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H49 N15 O6 S4 -","- C26 H49 N15 O6 S4 -","- C104 H196 N60 O24 S16 -","4","1","","Fatima Helzy; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines","Cryst. Growth & Design","2008","8","","1547","1553","10.1021/cg700798z","","","1.54178","CuKα","","0.0931","0.0684","","","0.1624","0.1743","","","","","","0.987","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500040","10.8239","0.0005","12.0117","0.0007","15.85","0.0009","79.084","0.004","86.515","0.004","69.273","0.003","1892.42","0.18","223","2","223","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C18 H25 N15 O2 -","- C18 H25 N15 O2 -","- C36 H50 N30 O4 -","2","1","","Fatima Helzy; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines","Cryst. Growth & Design","2008","8","","1547","1553","10.1021/cg700798z","","","1.54178","CuKα","","0.092","0.0766","","","0.2099","0.2256","","","","","","1.151","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500041","11.8963","0.0002","13.2249","0.0003","14.5323","0.0002","90","","102.435","0.001","90","","2232.69","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H57 N15 O7 S4 -","- C29 H57 N15 O7 S4 -","- C58 H114 N30 O14 S8 -","2","1","","Fatima Helzy; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines","Cryst. Growth & Design","2008","8","","1547","1553","10.1021/cg700798z","","","1.54178","CuKα","","0.0892","0.0687","","","0.1803","0.2134","","","","","","1.089","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500042","18.0047","0.0008","17.8601","0.0008","18.6114","0.0009","90","","115.519","0.002","90","","5400.9","0.4","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 B N O4 -","- C32 H36 B N O4 -","- C256 H288 B8 N8 O32 -","8","2","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.0557","0.0421","","","0.1038","0.1087","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500043","12.041","0.004","17.599","0.005","19.68","0.006","90","","94.518","0.009","90","","4157","2","280","2","280","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 B N O4 -","- C44 H60 B N O4 -","- C176 H240 B4 N4 O16 -","4","1","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.0717","0.06","","","0.1341","0.1354","","","","","","1.036","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500044","14.449","0.003","12.011","0.002","17.798","0.004","90","","104.99","0.03","90","","2983.7","1.1","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H36 B N O6 -","- C34 H36 B N O6 -","- C136 H144 B4 N4 O24 -","4","1","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","0.71073","MoKα","","0.1267","0.0542","","","0.1199","0.1502","","","","","","1.005","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500045","11.1413","0.0003","16.3143","0.0004","19.2076","0.0004","90","","90.428","0.001","90","","3491.12","0.15","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 B N O4 -","- C40 H52 B N O4 -","- C160 H208 B4 N4 O16 -","4","1","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.0601","0.0452","","","0.1093","0.1146","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500046","14.5833","0.0003","12.0045","0.0002","17.6323","0.0003","90","","104.137","0.001","90","","2993.32","0.1","200","2","200","2","","","","","","","Synthesized by the authors. See text","5","P 1 2 1","P 2y","3","","","","- C34 H36 B N O6 -","- C34 H36 B N O6 -","- C136 H144 B4 N4 O24 -","4","2","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.0471","0.0443","","","0.1251","0.1297","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500047","30.5053","0.0009","30.5053","0.0009","12.156","0.0004","90","","90","","90","","11312","0.6","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","I 41/a :2","-I 4ad","88","","","","- C31 H35 B N2 O5 -","- C31 H35 B N2 O5 -","- C496 H560 B16 N32 O80 -","16","1","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.1109","0.0715","","","0.1983","0.2183","","","","","","1.066","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500048","12.0516","0.0002","12.5212","0.0002","17.4375","0.0003","90","","100.04","0.001","90","","2591.03","0.07","291","2","291","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B N2 O5 -","- C29 H31 B N2 O5 -","- C116 H124 B4 N8 O20 -","4","1","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.0663","0.0585","","","0.1729","0.1829","","","","","","1.071","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500049","11.866","0.002","14.925","0.003","21.304","0.004","90","","95.84","0.03","90","","3753.4","1.2","291","2","291","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 B O4 P -","- C48 H36 B O4 P -","- C192 H144 B4 O16 P4 -","4","1","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.0765","0.0569","","","0.1154","0.1166","","","","","","1.063","","","","has coordinates","301842","2025-08-21","00:37:07",""
"4500050","23.105","0.005","17.302","0.004","16.392","0.003","90","","102.49","0.03","90","","6398","2","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B N O4 -","- C36 H44 B N O4 -","- C288 H352 B8 N8 O32 -","8","2","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.1169","0.0623","","","0.1539","0.1812","","","","","","0.974","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500051","12.8717","0.0004","12.0303","0.0004","14.9133","0.0005","90","","90.344","0.002","90","","2309.29","0.13","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 2/n 1","-P 2yac","13","","","","- C52 H48 B2 Cl3 N3 O9 -","- C52 H48 B2 Cl3 N3 O9 -","- C104 H96 B4 Cl6 N6 O18 -","2","0.5","","Emilie Voisin; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl","Cryst. Growth & Design","2008","8","","308","318","10.1021/cg700803k","","","1.54178","CuKα","","0.0861","0.0768","","","0.2383","0.2474","","","","","","1.078","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500052","15.2276","0.0003","15.6443","0.0003","19.1539","0.0003","90","","108.837","0.001","90","","4318.55","0.14","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C110 H89 B2 N3 O11 -","- C110 H89 B2 N3 O11 -","- C220 H178 B4 N6 O22 -","2","1","","Tao Tu; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)","Cryst. Growth & Design","2008","8","","1541","1546","10.1021/cg7008013","","","1.54178","CuKα","","0.0445","0.0437","","","0.1195","0.1213","","","","","","1.038","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500053","18.6055","0.0005","21.7959","0.0006","13.1561","0.0004","90","","90","","90","","5335.1","0.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 B N O4 -","- C44 H36 B N O4 -","- C264 H216 B6 N6 O24 -","6","1.5","","Tao Tu; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)","Cryst. Growth & Design","2008","8","","1541","1546","10.1021/cg7008013","","","1.54178","CuKα","","0.0889","0.0684","","","0.1489","0.1586","","","","","","1.056","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500054","28.665","0.006","15.857","0.003","7.3927","0.0015","90","","91.81","0.03","90","","3358.6","1.2","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 c 1","C -2yc","9","","","","- C44 H36 B N O4 -","- C44 H36 B N O4 -","- C176 H144 B4 N4 O16 -","4","1","","Tao Tu; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)","Cryst. Growth & Design","2008","8","","1541","1546","10.1021/cg7008013","","","1.54178","CuKα","","0.0489","0.048","","","0.1147","0.115","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:08",""
"4500055","24.969","0.001","24.969","0.001","16.924","0.001","90","","90","","120","","9137.7","0.7","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 65","P 65","170","","","","- C54 H40 B N O4 -","- C54 H40 B N O4 -","- C486 H360 B9 N9 O36 -","9","1.5","","Tao Tu; Thierry Maris; James D. Wuest","Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)","Cryst. Growth & Design","2008","8","","1541","1546","10.1021/cg7008013","","","1.54178","CuKα","","0.1052","0.1041","","","0.2708","0.2716","","","","","","1.089","","","","has coordinates,has disorder","301842","2025-08-21","00:37:08",""
"4503032","7.4613","0.0002","7.747","0.0003","16.341","0.0006","90","","93.693","0.001","90","","942.59","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(rac)-2-(2-bromophenoxy)propionic acid","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C36 H36 Br4 O12 -","4","1","","Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid","Crystal Growth & Design","2008","8","2","612","","10.1021/cg700789y","","","1.54178","CuKα","","0.0214","0.0213","","","0.0542","0.0543","","","","","","1.165","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503033","11.0496","0.0007","11.087","0.0007","15.7565","0.001","83.308","0.001","82.956","0.001","89.15","0.001","1902.7","0.2","173","2","193","2","","","","","","","","3","P -1","-P 1","2","","(rac)-2-(2-methylphenoxy)propanoic acid","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","4","","Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid","Crystal Growth & Design","2008","8","2","612","","10.1021/cg700789y","","","0.71073","MoKα","","0.0487","0.0416","","","0.1137","0.1197","","","","","","1.048","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503034","7.4281","0.0002","7.7164","0.0002","16.3508","0.0005","90","","93.283","0.001","90","","935.66","0.05","173","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-2-(2-bromophenoxy)propionic acid/(S)-2-(2-chlorophenoxy)propionic acid","","- C18 H18 Br Cl O6 -","- C18 H18 Br Cl O6 -","- C36 H36 Br2 Cl2 O12 -","2","1","","Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid","Crystal Growth & Design","2008","8","2","612","","10.1021/cg700789y","","","1.54178","CuKα","","0.0291","0.0291","","","0.0868","0.0868","","","","","","1.092","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503035","7.3844","0.0003","7.8299","0.0004","16.409","0.0008","90","","93.838","0.003","90","","946.63","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2-(2-bromophenoxy)propionic acid/(S)-2-(2-methyl)propionic acid","","- C19 H21 Br O6 -","- C19 H21 Br O6 -","- C38 H42 Br2 O12 -","2","1","","Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid","Crystal Growth & Design","2008","8","2","612","","10.1021/cg700789y","","","0.71073","MoKα","","0.0434","0.031","","","0.0688","0.0724","","","","","","0.998","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503036","11.1927","0.0002","11.1966","0.0002","31.0565","0.0006","90","","90.32","0.001","90","","3891.95","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2-(2-bromophenoxy)propionic acid/(S)-2-(2-methyl)propionic acid","","- C19 H21 Br O6 -","- C19 H21 Br O6 -","- C152 H168 Br8 O48 -","8","4","","Lineberry, Aaron M.; Benjamin, Ellis T.; Davis, Raymond E.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Racemates and Quasiracemates: Chloro, Bromo, and Methyl Adducts of 2-Phenoxypropionic Acid","Crystal Growth & Design","2008","8","2","612","","10.1021/cg700789y","","","0.71073","MoKα","","0.0695","0.0496","","","0.1315","0.142","","","","","","1.069","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503037","7.0664","0.0019","7.532","0.002","7.645","0.002","90","","117.363","0.004","90","","361.37","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H4 Mn N2 O5 -","- C5 H4 Mn N2 O5 -","- C10 H8 Mn2 N4 O10 -","2","1","","Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu","Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains","Crystal Growth & Design","2008","8","1","192","","10.1021/cg060778h","","","0.71073","MoKα","","0.0313","0.0275","","","0.0673","0.069","","","","","","1.029","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503038","11.374","0.0019","6.8092","0.0011","12.029","0.002","90","","106.946","0.003","90","","891.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Fe N3 O5 -","- C7 H9 Fe N3 O5 -","- C28 H36 Fe4 N12 O20 -","4","1","","Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu","Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains","Crystal Growth & Design","2008","8","1","192","","10.1021/cg060778h","","","0.71073","MoKα","","0.0453","0.0301","","","0.0668","0.0723","","","","","","1.096","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503039","11.4597","0.0017","6.8693","0.001","12.1575","0.0018","90","","107.328","0.003","90","","913.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Mn N3 O5 -","- C7 H9 Mn N3 O5 -","- C28 H36 Mn4 N12 O20 -","4","1","","Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu","Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains","Crystal Growth & Design","2008","8","1","192","","10.1021/cg060778h","","","0.71073","MoKα","","0.0486","0.0316","","","0.0676","0.0734","","","","","","1.077","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503040","11.634","0.003","6.8989","0.0019","12.185","0.004","90","","108.033","0.003","90","","929.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Cd N3 O5 -","- C7 H9 Cd N3 O5 -","- C28 H36 Cd4 N12 O20 -","4","1","","Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu","Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains","Crystal Growth & Design","2008","8","1","192","","10.1021/cg060778h","","","0.71073","MoKα","","0.0721","0.0512","","","0.1335","0.1459","","","","","","1.094","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503041","11.4717","0.0018","6.6509","0.0011","11.7926","0.0019","90","","106.777","0.003","90","","861.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Co N3 O5 -","- C7 H6 Co N3 O5 -","- C28 H24 Co4 N12 O20 -","4","1","","Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu","Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains","Crystal Growth & Design","2008","8","1","192","","10.1021/cg060778h","","","0.71073","MoKα","","0.0359","0.0251","","","0.0578","0.0627","","","","","","1.083","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503042","7.1368","0.0018","13.564","0.003","13.981","0.004","90","","90","","90","","1353.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 Fe N2 O5 -","- C5 H4 Fe N2 O5 -","- C40 H32 Fe8 N16 O40 -","8","1","","Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu","Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains","Crystal Growth & Design","2008","8","1","192","","10.1021/cg060778h","","","0.71073","MoKα","","0.0589","0.0358","","","0.0826","0.0908","","","","","","1.102","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503043","16.105","0.002","4.8728","0.0007","29.455","0.004","90","","101.13","0.002","90","","2268","0.5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu N16 O10 -","- C12 H18 Cu N16 O10 -","- C48 H72 Cu4 N64 O40 -","4","0.5","","Yu, Qing; Zhang, Xiuqing; Bian, Hedong; Liang, Hong; Zhao, Bin; Yan, Shiping; Liao, Daizheng","pH-Dependent Cu(II) Coordination Polymers with Tetrazole-1-acetic Acid: Synthesis, Crystal Structures, EPR and Magnetic Properties","Crystal Growth & Design","2008","8","4","1140","","10.1021/cg070022y","","","0.71073","MoKα","","0.0434","0.0347","","","0.0849","0.0889","","","","","","1.113","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503044","4.7999","0.0007","11.7936","0.0016","9.4857","0.0013","90","","103.665","0.002","90","","521.77","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cu N8 O4 -","- C6 H6 Cu N8 O4 -","- C12 H12 Cu2 N16 O8 -","2","0.5","","Yu, Qing; Zhang, Xiuqing; Bian, Hedong; Liang, Hong; Zhao, Bin; Yan, Shiping; Liao, Daizheng","pH-Dependent Cu(II) Coordination Polymers with Tetrazole-1-acetic Acid: Synthesis, Crystal Structures, EPR and Magnetic Properties","Crystal Growth & Design","2008","8","4","1140","","10.1021/cg070022y","","","0.71073","MoKα","","0.0275","0.023","","","0.0641","0.0673","","","","","","1.057","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503045","8.5325","0.0012","9.4912","0.0014","11.047","0.0016","106.534","0.002","93.207","0.002","107.294","0.002","809.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cu2 N8 O9 -","- C8 H14 Cu2 N8 O9 -","- C16 H28 Cu4 N16 O18 -","2","1","","Yu, Qing; Zhang, Xiuqing; Bian, Hedong; Liang, Hong; Zhao, Bin; Yan, Shiping; Liao, Daizheng","pH-Dependent Cu(II) Coordination Polymers with Tetrazole-1-acetic Acid: Synthesis, Crystal Structures, EPR and Magnetic Properties","Crystal Growth & Design","2008","8","4","1140","","10.1021/cg070022y","","","0.71073","MoKα","","0.0376","0.0284","","","0.0705","0.0756","","","","","","1.029","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503046","8.6369","0.0009","19.3517","0.0019","12.0519","0.0013","90","","108.295","0.001","90","","1912.5","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cu2 N12 O9 -","- C9 H14 Cu2 N12 O9 -","- C36 H56 Cu8 N48 O36 -","4","1","","Yu, Qing; Zhang, Xiuqing; Bian, Hedong; Liang, Hong; Zhao, Bin; Yan, Shiping; Liao, Daizheng","pH-Dependent Cu(II) Coordination Polymers with Tetrazole-1-acetic Acid: Synthesis, Crystal Structures, EPR and Magnetic Properties","Crystal Growth & Design","2008","8","4","1140","","10.1021/cg070022y","","","0.71073","MoKα","","0.0368","0.0286","","","0.0689","0.0728","","","","","","1.063","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503047","7.8867","0.0005","7.5288","0.0006","14.3507","0.0009","90","","93.163","0.007","90","","850.81","0.1","293","","293","","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 Cl2 N4 O4 -","- C20 H8 Cl2 N4 O4 -","- C40 H16 Cl4 N8 O8 -","2","0.5","","Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen","Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction","Crystal Growth & Design","2008","8","4","1147","","10.1021/cg070058q","powder diffraction","x-ray","1.54051","CuKalpha1","","","","","","","","0.05949","","2.01","","","","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503048","9.62291","0.00011","17.813","0.0004","9.24178","0.00011","90","","90","","90","","1584.16","0.04","293","","293","","","","","","","","synthesis","4","P c a 21","P 2c -2ac","29","","","","- C18 H8 N6 O4 -","- C18 H8 N6 O4 -","- C72 H32 N24 O16 -","4","1","","Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen","Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction","Crystal Growth & Design","2008","8","4","1147","","10.1021/cg070058q","powder diffraction","x-ray","1.54051","CuKalpha1","","","","","","","","0.1092","","2.16","","","","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503049","11.39876","0.00018","11.8643","0.00015","3.80225","0.00006","96.3647","0.0014","95.9064","0.0015","108.898","0.0012","478.197","0.013","293","","293","","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C20 H18 N4 O8 -","- C20 H18 N4 O8 -","- C20 H18 N4 O8 -","1","0.5","","Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen","Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction","Crystal Growth & Design","2008","8","4","1147","","10.1021/cg070058q","powder diffraction","x-ray","1.54051","CuKα1","","","","","","","","0.09115","","2.51","","","","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503050","11.2777","0.0006","12.8578","0.0005","6.47179","0.00014","90","","94.697","0.004","90","","935.3","0.07","293","","293","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N6 O8 -","- C18 H16 N6 O8 -","- C36 H32 N12 O16 -","2","0.5","","Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen","Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction","Crystal Growth & Design","2008","8","4","1147","","10.1021/cg070058q","powder diffraction","x-ray","1.54051","CuKalpha1","","","","","","","","0.06952","","2.53","","","","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503051","34.5859","0.0016","5.71316","0.00009","8.0155","0.00009","90","","90","","90","","1583.82","0.08","293","","293","","","","","","","","synthesis","4","C m c a","-C 2ac 2","64","","","","- C20 H10 N4 O4 -","- C20 H10 N4 O4 -","- C80 H40 N16 O16 -","4","","","Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen","Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction","Crystal Growth & Design","2008","8","4","1147","","10.1021/cg070058q","powder diffraction","x-ray","1.54051","CuKalpha1","","","","","","","","0.08185","","2.77","","","","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503052","22.3839","0.0012","3.95869","0.00015","11.6243","0.0007","90","","98.094","0.005","90","","1019.78","0.09","293","","293","","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cl2 N4 O8 -","- C20 H16 Cl2 N4 O8 -","- C40 H32 Cl4 N8 O16 -","2","0.5","","Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen","Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction","Crystal Growth & Design","2008","8","4","1147","","10.1021/cg070058q","powder diffraction","x-ray","1.54051","CuKα1","","","","","","","","0.0787","","3.03","","","","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503053","9.5774","0.0019","16.913","0.003","25.396","0.005","90","","90","","90","","4113.7","1.4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H30 Cd3 Cl N2 O14 -","- C24 H30 Cd3 Cl N2 O14 -","- C96 H120 Cd12 Cl4 N8 O56 -","4","0.5","","Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun","Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties","Crystal Growth & Design","2008","8","2","427","","10.1021/cg0701022","","","0.71073","MoKα","","0.0888","0.0887","","","0.2243","0.2244","","","","","","1.077","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503054","8.969","0.003","9.419","0.003","17.29","0.005","100.468","0.005","92.754","0.006","117.702","0.004","1256.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 Cd3 N5 O17 -","- C37 H28 Cd3 N5 O17 -","- C37 H28 Cd3 N5 O17 -","1","0.5","","Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun","Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties","Crystal Growth & Design","2008","8","2","427","","10.1021/cg0701022","","","0.71073","MoKα","","0.0446","0.0369","","","0.1112","0.1215","","","","","","1.064","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503055","8.9436","0.0014","9.4538","0.0015","19.005","0.003","95.166","0.003","93.05","0.003","117.534","0.003","1410.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Cd3 N4 O16 -","- C36 H42 Cd3 N4 O16 -","- C36 H42 Cd3 N4 O16 -","1","0.5","","Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun","Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties","Crystal Growth & Design","2008","8","2","427","","10.1021/cg0701022","","","0.71073","MoKα","","0.0486","0.0418","","","0.1169","0.1208","","","","","","1.032","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503056","16.016","0.003","8.9028","0.0018","17.642","0.004","90","","102.93","0.03","90","","2451.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H22 N2 O12 Zn3 -","- C28 H22 N2 O12 Zn3 -","- C56 H44 N4 O24 Zn6 -","2","0.25","","Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun","Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties","Crystal Growth & Design","2008","8","2","427","","10.1021/cg0701022","","","0.71073","MoKα","","0.0769","0.067","","","0.1946","0.2054","","","","","","1.008","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503057","8.9508","0.0018","9.0892","0.0018","19.802","0.004","95.64","0.03","97.68","0.03","118.25","0.03","1382.1","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H22 N2 O13 Zn3 -","- C30 H22 N2 O13 Zn3 -","- C30 H22 N2 O13 Zn3 -","1","1","","Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun","Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties","Crystal Growth & Design","2008","8","2","427","","10.1021/cg0701022","","","0.71073","MoKα","","0.0795","0.0708","","","0.23","0.2423","","","","","","1.003","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503058","7.1403","0.0008","7.2638","0.0008","8.2418","0.0009","72.781","0.002","70.3","0.002","66.349","0.002","362.18","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-nitro-2,5-dichlorobenzene","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C12 H6 Cl4 N2 O4 -","2","1","","Barnett, Sarah A.; Johnston, Andrea; Florence, Alastair J.; Price, Sarah L.; Tocher, Derek A.","A Systematic Experimental and Theoretical Study of the Crystalline State of Six Chloronitrobenzenes","Crystal Growth & Design","2008","8","1","24","","10.1021/cg070131c","","","0.71073","MoKα","","0.0245","0.024","","","0.0691","0.07","","","","","","1.089","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503059","20.682","0.003","3.7484","0.0005","20.961","0.003","90","","118.235","0.002","90","","1431.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-nitro-2,4-Dichlorobenzene","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C48 H24 Cl16 N8 O16 -","8","2","","Barnett, Sarah A.; Johnston, Andrea; Florence, Alastair J.; Price, Sarah L.; Tocher, Derek A.","A Systematic Experimental and Theoretical Study of the Crystalline State of Six Chloronitrobenzenes","Crystal Growth & Design","2008","8","1","24","","10.1021/cg070131c","","","0.71073","MoKα","","0.0333","0.0317","","","0.0825","0.0836","","","","","","1.124","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503060","27.9342","0.0019","27.9342","0.0019","3.7655","0.0005","90","","90","","90","","2938.3","0.5","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","1-nitro-3,4-dichlorobenzene","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C96 H48 Cl32 N16 O32 -","16","1","","Barnett, Sarah A.; Johnston, Andrea; Florence, Alastair J.; Price, Sarah L.; Tocher, Derek A.","A Systematic Experimental and Theoretical Study of the Crystalline State of Six Chloronitrobenzenes","Crystal Growth & Design","2008","8","1","24","","10.1021/cg070131c","","","0.71073","MoKα","","0.0477","0.0428","","","0.0873","0.0892","","","","","","1.204","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503061","7.554","0.003","7.821","0.003","13.453","0.005","90","","96.307","0.007","90","","790","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Chloro-3,4-dinitrobenzene beta polymorph","","- C6 H3 Cl N2 O4 -","- C6 H3 Cl N2 O4 -","- C24 H12 Cl4 N8 O16 -","4","1","","Barnett, Sarah A.; Johnston, Andrea; Florence, Alastair J.; Price, Sarah L.; Tocher, Derek A.","A Systematic Experimental and Theoretical Study of the Crystalline State of Six Chloronitrobenzenes","Crystal Growth & Design","2008","8","1","24","","10.1021/cg070131c","","","0.71073","MoKα","","0.0666","0.0606","","","0.1441","0.1473","","","","","","1.242","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503062","5.5245","0.0011","11.778","0.002","11.939","0.002","90","","90","","90","","776.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Chloro-3,4-dinitrobenzene gamma polymorph","","- C6 H3 Cl N2 O4 -","- C6 H3 Cl N2 O4 -","- C24 H12 Cl4 N8 O16 -","4","1","","Barnett, Sarah A.; Johnston, Andrea; Florence, Alastair J.; Price, Sarah L.; Tocher, Derek A.","A Systematic Experimental and Theoretical Study of the Crystalline State of Six Chloronitrobenzenes","Crystal Growth & Design","2008","8","1","24","","10.1021/cg070131c","","","0.71073","MoKα","","0.0243","0.0236","","","0.062","0.0625","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503063","10.7328","0.0013","10.7328","0.0013","10.7328","0.0013","90","","90","","90","","1236.3","0.3","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","tetramethylsilane","","- C4 H12 Si -","- C4 H12 Si -","- C32 H96 Si8 -","8","0.333333","","Gajda, Roman; Katrusiak, Andrzej","The Interplay of Molecular Conformation and Crystal Packing in Pressure-Frozen Tetramethylsilane","Crystal Growth & Design","2008","8","1","211","","10.1021/cg070135h","","","0.71073","MoKα","","0.0576","0.0551","","","0.0941","0.0948","","","","","","1.381","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503064","21.5715","0.0016","15.1534","0.0011","18.3085","0.0014","90","","118.367","0.001","90","","5266.1","0.7","292","2","292","2","","","","","","","Chemical synthesis","7","C 1 2/m 1","-C 2y","12","","","","- C36 H50 Ag4 B4 F16 N16 O -","- C36 H48 Ag4 B4 F16 N16 O -","- C144 H192 Ag16 B16 F64 N64 O4 -","4","0.5","","Jin, Chuan-Ming; Wu, Ling-Yan; Lu, Huang; Xu, Yan","Two Distinct Supramolecular Motifs from Bis(2-methylimidazo-1-yl) Methane: An Infinite [n]Catenane and A Discrete M6 Metal-Organic Framework","Crystal Growth & Design","2008","8","1","215","","10.1021/cg070143y","","","0.71073","MoKα","","0.0849","0.0695","","","0.206","0.2175","","","","","","1.075","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503065","17.6984","0.0014","17.6984","0.0014","17.6984","0.0014","116.66","","116.66","","116.66","","2572.6","0.4","293","2","293","2","","","","","","","Chemical synthesis","7","R -3 :R","-P 3*","148","","","","- C10 H12 Ag F3 N4 O3 S -","- C10 H12 Ag F3 N4 O3 S -","- C60 H72 Ag6 F18 N24 O18 S6 -","6","1","","Jin, Chuan-Ming; Wu, Ling-Yan; Lu, Huang; Xu, Yan","Two Distinct Supramolecular Motifs from Bis(2-methylimidazo-1-yl) Methane: An Infinite [n]Catenane and A Discrete M6 Metal-Organic Framework","Crystal Growth & Design","2008","8","1","215","","10.1021/cg070143y","","","0.71073","MoKα","","0.0766","0.0628","","","0.2024","0.2152","","","","","","1.123","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503066","4.6469","0.0009","4.9285","0.001","9.0403","0.0018","90","","90","","90","","207.04","0.07","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methanol","Methanol","","- C H4 O -","- C H4 O -","- C4 H16 O4 -","4","1","","Kirchner, Michael T.; Das, Dinabandhu; Boese, Roland","Cocrystallization with Acetylene: Molecular Complex with Methanol","Crystal Growth & Design","2008","8","3","763","","10.1021/cg0701877","","","0.71073","MoKα","","0.0393","0.0338","","","0.0915","0.0959","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503067","6.401","0.002","7.22","0.003","4.647","0.001","90","","90","","90","","214.76","0.12","160","2","160","2","","","","","","","","3","C m c 21","C 2c -2","36","Methanol","Methanol","","- C H4 O -","- C H4 O -","- C4 H16 O4 -","4","0.5","","Kirchner, Michael T.; Das, Dinabandhu; Boese, Roland","Cocrystallization with Acetylene: Molecular Complex with Methanol","Crystal Growth & Design","2008","8","3","763","","10.1021/cg0701877","","x-ray","0.71073","MoKα","","0.0488","0.037","","","0.1048","0.1132","","","","","","1.068","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503068","4.565","0.003","7.314","0.005","13.165","0.008","90","","90","","90","","439.6","0.5","155","2","155","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ethine methanol cocrystal","ethine methanol cocrystal","","- C3 H6 O -","- C3 H6 O -","- C12 H24 O4 -","4","1","","Kirchner, Michael T.; Das, Dinabandhu; Boese, Roland","Cocrystallization with Acetylene: Molecular Complex with Methanol","Crystal Growth & Design","2008","8","3","763","","10.1021/cg0701877","","","0.71073","MoKα","","0.1974","0.0543","","","0.1151","0.1427","","","","","","0.722","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503069","7.2604","0.0005","20.4231","0.0017","23.6356","0.0016","90","","90","","90","","3504.7","0.4","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ethinyl estradiol acetonitrile","","","- C21 H25.5 N0.5 O2 -","- C21 H25.5 N0.5 O2 -","- C168 H204 N4 O16 -","8","2","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0837","0.0514","","0.1015","0.0919","0.1015","","","1.088","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503070","6.7531","0.0009","12.23","0.0014","50.824","0.007","90","","90","","90","","4197.6","0.9","208","2","208","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ethinyl estradiol dioxane","","","- C24 H32 O4 -","- C24 H32 O4 -","- C192 H256 O32 -","8","2","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0839","0.0565","","0.1279","0.1178","0.1279","","","1.024","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503071","7.0732","0.0003","11.2715","0.0006","30.645","0.002","90","","94.895","0.006","90","","2434.3","0.2","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","ethinyl estradiol dimethylformamide","","","- C26 H38 N2 O4 -","- C26 H38 N2 O4 -","- C104 H152 N8 O16 -","4","2","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.1406","0.1306","","0.3801","0.3729","0.3801","","","1.662","","","1.662","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503072","7.725","0.0004","14.681","0.0013","23.9456","0.0016","90","","94.327","0.004","90","","2707.9","0.3","208","2","208","2","","","","","","","","3","P 1 21 1","P 2yb","4","ethinyl estradiol ethanolate","","","- C21.33 H28 O2.67 -","- C21.1513 H27.454 O2.57567 -","- C126.908 H164.724 O15.454 -","6","3","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.1386","0.0643","","0.1492","0.1219","0.1492","","","1.02","","","1.02","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503073","21.0163","0.0007","6.5877","0.0005","12.0946","0.0005","90","","91.099","0.003","90","","1674.18","0.16","208","2","208","2","","","","","","","","3","C 1 2 1","C 2y","5","ethinyl estradiol hemi-hydrate","","","- C20 H25 O2.5 -","- C20 H25 O2.5 -","- C80 H100 O10 -","4","1","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0751","0.0509","","0.0954","0.0881","0.0954","","","1.06","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503074","6.6449","0.0007","16.5425","0.0014","8.648","0.0004","90","","106.09","0.007","90","","913.38","0.13","208","2","208","2","","","","","","","","3","P 1 21 1","P 2yb","4","ethinyl estradiol methanolate","","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0554","0.0412","","0.0877","0.0828","0.0877","","","1.037","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503075","12.2381","0.0005","6.7999","0.0007","21.4221","0.0014","90","","94.878","0.004","90","","1776.2","0.2","208","2","208","2","","","","","","","","4","P 1 21 1","P 2yb","4","ethinyl estradiol nitromethane","","","- C20.5 H25.5 N0.5 O3 -","- C20.5 H25.5 N0.5 O3 -","- C82 H102 N2 O12 -","4","2","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0766","0.0588","","0.1628","0.1534","0.1628","","","1.099","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503076","15.061","0.004","19.05","0.005","18.765","0.005","90","","106.909","0.004","90","","5151","2","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C44 H60 Cu2 N8 O82.5 V2 W18 Y -","- C44 H32 Cu2 N8 O82.5 V2 W18 Y -","- C88 H64 Cu4 N16 O165 V4 W36 Y2 -","2","0.5","","Wang, Jingping; Li, Suzhi; Shen, Yue; Niu, Jingyang","Novel Tungstovanadate Wells−Dawson Organic‒Inorganic Heteropolyoxometalate Compound: Synthesis and Crystal Structure of [Cu2(2,2′-bipy)2(Inic)2(H2O)2][Y(Inic)2(H2O)5]H3[V2W18O62]·5.5H2O (Where 2,2′-bipy = 2,2′-Bipyridine, Inic = γ-Picolinic Acid)","Crystal Growth & Design","2008","8","2","372","","10.1021/cg070234v","","","0.71073","MoKα","","0.0728","0.0465","","","0.1138","0.1254","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503077","11.753","0.0012","16.8295","0.0016","13.3393","0.0012","90","","104.118","0.003","90","","2558.8","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Cu Mo N3 O S3 -","- C17 H40 Cu Mo N3 O S3 -","- C68 H160 Cu4 Mo4 N12 O4 S12 -","4","1","","Zhang, Wen-Hua; Song, Ying-Lin; Zhang, Yong; Lang, Jian-Ping","Binuclear Cluster-to-Cluster-Based Supramolecular Compounds: Design, Assembly, and Enhanced Third-Order Nonlinear Optical Performances of {[Et4N]2[MoOS3Cu2(μ-CN)]2·2aniline}nand {[Et4N]4[MoOS3Cu3CN(μ′-CN)]2(μ-CN)2}n","Crystal Growth & Design","2008","8","1","253","","10.1021/cg070235n","","","0.7107","MoKα","","0.0793","0.0618","","","0.1344","0.1444","","","","","","1.124","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503078","12.908","0.003","16.105","0.003","11.332","0.002","90","","115.88","0.03","90","","2119.5","0.9","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Cu2 Mo N3 O S3 -","- C15 H27 Cu2 Mo N3 O S3 -","- C60 H108 Cu8 Mo4 N12 O4 S12 -","4","1","","Zhang, Wen-Hua; Song, Ying-Lin; Zhang, Yong; Lang, Jian-Ping","Binuclear Cluster-to-Cluster-Based Supramolecular Compounds: Design, Assembly, and Enhanced Third-Order Nonlinear Optical Performances of {[Et4N]2[MoOS3Cu2(μ-CN)]2·2aniline}nand {[Et4N]4[MoOS3Cu3CN(μ′-CN)]2(μ-CN)2}n","Crystal Growth & Design","2008","8","1","253","","10.1021/cg070235n","","","0.71073","MoKα","","0.0726","0.0515","","","0.0797","0.0861","","","","","","1.165","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503079","16.014","0.003","11.566","0.002","16.186","0.003","90","","103.61","0.03","90","","2913.8","1","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 Cu3 Mo N5 O S3 -","- C19 H40 Cu3 Mo N5 O S3 -","- C76 H160 Cu12 Mo4 N20 O4 S12 -","4","1","","Zhang, Wen-Hua; Song, Ying-Lin; Zhang, Yong; Lang, Jian-Ping","Binuclear Cluster-to-Cluster-Based Supramolecular Compounds: Design, Assembly, and Enhanced Third-Order Nonlinear Optical Performances of {[Et4N]2[MoOS3Cu2(μ-CN)]2·2aniline}nand {[Et4N]4[MoOS3Cu3CN(μ′-CN)]2(μ-CN)2}n","Crystal Growth & Design","2008","8","1","253","","10.1021/cg070235n","","","0.71073","MoKα","","0.0994","0.0811","","","0.1568","0.1652","","","","","","1.249","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503080","10.4576","0.0003","17.0583","0.0005","20.9776","0.0005","90","","90","","90","","3742.17","0.18","90","1","90","1","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C98 H72 Cd2 N10 S8 -","- C98 H72 Cd2 N10 S8 -","- C196 H144 Cd4 N20 S16 -","2","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","","0.71073","MoKα","","0.028","0.0237","","","0.0649","0.0681","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503081","11.7155","0.0003","16.5374","0.0004","42.09","0.0008","90","","90","","90","","8154.7","0.3","100","2","100","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C100 H80.8 Cd2 Cl0.24 N6 S8 -","- C100 H80.8 Cd2 Cl0.24 N6 S8 -","- C400 H323.2 Cd8 Cl0.96 N24 S32 -","4","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","","0.71073","MoKα","","0.0316","0.0252","","","0.0618","0.065","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4503082","10.349","0.0004","16.9698","0.0007","20.8387","0.0009","90","","90","","90","","3659.7","0.3","90","1","90","1","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C98 H72 Fe2 N10 S8 -","- C98 H72 Fe2 N10 S8 -","- C196 H144 Fe4 N20 S16 -","2","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","","0.71073","MoKα","","0.0395","0.0342","","","0.1499","0.1565","","","","","","1.365","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503083","16.1521","0.0005","16.9573","0.0004","10.556","0.0003","90","","99.733","0.001","90","","2849.63","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H40 Hg2 N4 S8 -","- C80 H40 Hg2 N4 S8 -","- C160 H80 Hg4 N8 S16 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","","0.71073","MoKα","","0.0255","0.0218","","","0.0623","0.0711","","","","","","1.169","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503084","16.9422","0.0011","20.1412","0.0013","29.786","0.002","90","","94.917","0.001","90","","10126.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C358 H90 Cl4 Hg2 N6 S8 -","- C358 H90 Cl4 Hg2 N6 S8 -","- C716 H180 Cl8 Hg4 N12 S16 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","","0.71073","MoKα","","0.0637","0.0561","","","0.1501","0.1559","","","","","","1.069","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503085","10.441","0.0004","17.0608","0.0006","20.9215","0.0007","90","","90","","90","","3726.8","0.2","100","2","100","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C98 H76 Mn2 N10 S8 -","- C98 H76 Mn2 N10 S8 -","- C196 H152 Mn4 N20 S16 -","2","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","x-ray","0.71073","MoKα","","0.0388","0.0364","","","0.113","0.1146","","","","","","1.067","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503086","10.2365","0.0005","16.8848","0.0008","20.818","0.001","90","","90","","90","","3598.2","0.3","90","2","90","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C92 H57 Cl N6 S8 Zn2 -","- C91 H54 Cl N6 S8 Zn2 -","- C182 H108 Cl2 N12 S16 Zn4 -","2","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","","0.71073","MoKα","","0.0702","0.0548","","","0.158","0.1806","","","","","","1.137","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503087","10.3921","0.0004","16.9217","0.0006","22.3916","0.0008","84.147","0.001","76.65","0.001","89.885","0.001","3810.3","0.2","95","2","95","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H69 Cl N12 S8 Zn2 -","- C98 H69 Cl N12 S8 Zn2 -","- C196 H138 Cl2 N24 S16 Zn4 -","2","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kovalevsky, Andrey Yu.; Lopatin, Dmitri V.; Rodaev, Vyacheslav V.; Saito, Gunzi; Náfrádi, Bálint; Forró, László; Lyubovskaya, Rimma N.","Supramolecular Approach to the Synthesis of [60]Fullerene−Metal Dithiocarbamate Complexes, {(MII(R2dtc)2)x·L}·C60(M = Zn, Cd, Hg, Fe, and Mn;x= 1 and 2). The Study of Magnetic Properties and Photoconductivity","Crystal Growth & Design","2008","8","4","1161","","10.1021/cg0702481","","","0.71073","MoKα","","0.0419","0.0376","","","0.0885","0.0906","","","","","","1.053","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503088","9.1907","0.0013","9.1907","0.0013","12.759","0.003","90","","90","","120","","933.3","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C10 H10 Cd N2 O6 -","- C10 H10 Cd N2 O6 -","- C30 H30 Cd3 N6 O18 -","3","0.5","","Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang","Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures","Crystal Growth & Design","2008","8","2","452","","10.1021/cg0702636","","","0.71073","MoKα","","0.0152","0.0151","","","0.0374","0.0375","","","","","","1.096","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503089","9.1884","0.0013","9.1884","0.0013","12.743","0.003","90","","90","","120","","931.7","0.3","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C10 H10 Cd N2 O6 -","- C10 H10 Cd N2 O6 -","- C30 H30 Cd3 N6 O18 -","3","0.5","","Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang","Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures","Crystal Growth & Design","2008","8","2","452","","10.1021/cg0702636","","","0.71073","MoKα","","0.0155","0.0152","","","0.0374","0.0375","","","","","","1.107","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503090","6.5548","0.0013","8.5026","0.0017","10.02","0.002","109.39","0.03","96.87","0.03","100.86","0.03","507.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cd3 N2 O16 -","- C16 H12 Cd3 N2 O16 -","- C16 H12 Cd3 N2 O16 -","1","0.5","","Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang","Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures","Crystal Growth & Design","2008","8","2","452","","10.1021/cg0702636","","","0.71073","MoKα","","0.0228","0.0193","","","0.0472","0.0493","","","","","","1.067","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503091","9.977","0.002","10.141","0.002","12.699","0.003","107.1","0.03","94.64","0.03","112.5","0.03","1107","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd4 N2 O18 -","- C16 H14 Cd4 N2 O18 -","- C32 H28 Cd8 N4 O36 -","2","1","","Zou, Ru-Qiang; Zhong, Rui-Qin; Du, Miao; Pandey, Daya S.; Xu, Qiang","Controllable Congregating of Homochiral and Achiral Coordination Polymers: Cadmium(II) Pyridine-2,4,6-Tricarboxylate Species with Double-Helical Strand and Molecular Building Block Structures","Crystal Growth & Design","2008","8","2","452","","10.1021/cg0702636","","","0.71073","MoKα","","0.0518","0.0409","","","0.0969","0.1035","","","","","","1.006","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503092","11.4021","0.0002","32.4814","0.0006","26.1045","0.0006","90","","91.164","0.001","90","","9666","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 Cd N6 S2 -","- C50 H54 Cd N6 S2 -","- C400 H432 Cd8 N48 S16 -","8","1","","Liu, Hui-Jun; Tao, Xu-Tang; Yang, Jia-Xiang; Yan, Yun-Xing; Ren, Yan; Zhao, Hua-Ping; Xin, Qian; Yu, Wen-Tao; Jiang, Min-Hua","Three-Dimensional Metal−Organic Network Architecture with Large π-Conjugated Indolocarbazole Derivative: Synthesis, Supramolecular Structure, and Highly Enhanced Fluorescence","Crystal Growth & Design","2008","8","1","259","","10.1021/cg070276j","","","0.71073","MoKα","","0.2051","0.0971","","","0.2735","0.3395","","","","","","0.934","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503093","23.493","0.003","4.427","0.001","13.654","0.002","90","","117.81","0.01","90","","1256","0.4","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-diiodopyrazabole","","- C6 H8 B2 I2 N4 -","- C6 H8 B2 I2 N4 -","- C24 H32 B8 I8 N16 -","4","0.5","","Cavero, Emma; Giménez, Raquel; Uriel, Santiago; Beltrán, Eduardo; Serrano, José Luis; Alkorta, Ibon; Elguero, José","The Boat Conformation in Pyrazaboles. A Theoretical and Experimental Study†","Crystal Growth & Design","2008","8","3","838","","10.1021/cg0702939","","x-ray","0.71073","MoKα","","0.065","0.0444","","","0.1128","0.1432","","","","","","1.16","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503094","24.106","0.009","4.717","0.002","13.759","0.005","90","","119.86","0.02","90","","1356.8","1","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,4,8,8-tetrafluoro-2,6-diiodopyrazabole","","- C6 H4 B2 F4 I2 N4 -","- C6 H4 B2 F4 I2 N4 -","- C24 H16 B8 F16 I8 N16 -","4","0.5","","Cavero, Emma; Giménez, Raquel; Uriel, Santiago; Beltrán, Eduardo; Serrano, José Luis; Alkorta, Ibon; Elguero, José","The Boat Conformation in Pyrazaboles. A Theoretical and Experimental Study†","Crystal Growth & Design","2008","8","3","838","","10.1021/cg0702939","","x-ray","0.71073","MoKα","","0.0645","0.0583","","","0.1592","0.17","","","","","","1.071","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503095","4.237","0.001","15.905","0.003","8.414","0.001","90","","92.02","0.01","90","","566.66","0.18","295","","295","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,6-bis(ethynyl)pyrazabole","","- C10 H10 B2 N4 -","- C10 H10 B2 N4 -","- C20 H20 B4 N8 -","2","0.5","","Cavero, Emma; Giménez, Raquel; Uriel, Santiago; Beltrán, Eduardo; Serrano, José Luis; Alkorta, Ibon; Elguero, José","The Boat Conformation in Pyrazaboles. A Theoretical and Experimental Study†","Crystal Growth & Design","2008","8","3","838","","10.1021/cg0702939","","","0.71073","MoKα","","0.0655","0.0414","","","0.0952","0.1091","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503096","10.974","0.003","9.604","0.004","5.5258","0.001","90","","100.205","0.018","90","","573.2","0.3","295","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","4,4,8,8-tetrafluoro-2,6-bis(ethynyl)pyrazabole","","- C10 H6 B2 F4 N4 -","- C10 H6 B2 F4 N4 -","- C20 H12 B4 F8 N8 -","2","0.25","","Cavero, Emma; Giménez, Raquel; Uriel, Santiago; Beltrán, Eduardo; Serrano, José Luis; Alkorta, Ibon; Elguero, José","The Boat Conformation in Pyrazaboles. A Theoretical and Experimental Study†","Crystal Growth & Design","2008","8","3","838","","10.1021/cg0702939","","","0.71073","MoKα","","0.0331","0.0281","","","0.08","0.0825","","","","","","1.121","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503097","10.9005","0.0018","9.559","0.0019","5.461","0.003","90","","101.39","0.03","90","","557.8","0.3","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","4,4,8,8-tetrafluoro-2,6-bis(ethynyl)pyrazabole","","- C10 H6 B2 F4 N4 -","- C10 H6 B2 F4 N4 -","- C20 H12 B4 F8 N8 -","2","0.25","","Cavero, Emma; Giménez, Raquel; Uriel, Santiago; Beltrán, Eduardo; Serrano, José Luis; Alkorta, Ibon; Elguero, José","The Boat Conformation in Pyrazaboles. A Theoretical and Experimental Study†","Crystal Growth & Design","2008","8","3","838","","10.1021/cg0702939","","","0.71073","MoKα","","0.0283","0.0251","","","0.0714","0.0731","","","","","","1.104","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503098","10.2464","0.0012","12.5259","0.0014","13.6442","0.0016","95.145","0.002","90.464","0.002","111.482","0.002","1621.4","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 Ce N3 O24 Zn -","- C21 H33 Ce N3 O24 Zn -","- C42 H66 Ce2 N6 O48 Zn2 -","2","1","","Prasad, T. K.; Rajasekharan, M. V.","Solvent Dependent Crystallization of Isomeric Chain Coordination Polymers in the Ce-Zn/Cd-dipic System","Crystal Growth & Design","2008","8","4","1346","","10.1021/cg070349z","","","0.71073","MoKα","","0.0348","0.0344","","","0.0925","0.0929","","","","","","1.043","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503099","10.0594","0.0006","21.8172","0.0012","14.6047","0.0008","90","","110.109","0.001","90","","3009.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 Ce N3 O19 Zn -","- C23.018 H27.018 Ce N3 O19 Zn -","- C92.072 H108.072 Ce4 N12 O76 Zn4 -","4","0.5","","Prasad, T. K.; Rajasekharan, M. V.","Solvent Dependent Crystallization of Isomeric Chain Coordination Polymers in the Ce-Zn/Cd-dipic System","Crystal Growth & Design","2008","8","4","1346","","10.1021/cg070349z","","","0.71073","MoKα","","0.0585","0.0575","","","0.1481","0.149","","","","","","1.054","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503100","10.3824","0.0013","22.829","0.003","14.3127","0.0018","90","","110.667","0.002","90","","3174.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Ce N3 O19 Zn -","- C25 H31 Ce N3 O19 Zn -","- C100 H124 Ce4 N12 O76 Zn4 -","4","1","","Prasad, T. K.; Rajasekharan, M. V.","Solvent Dependent Crystallization of Isomeric Chain Coordination Polymers in the Ce-Zn/Cd-dipic System","Crystal Growth & Design","2008","8","4","1346","","10.1021/cg070349z","","","0.71073","MoKα","","0.0387","0.0345","","","0.0873","0.0902","","","","","","1.039","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503101","13.41","0.0009","10.5921","0.0007","34.73","0.002","90","","94.364","0.001","90","","4918.7","0.5","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C63 H91 Cd2 Ce3 N9 O67 -","- C63 H67 Cd2 Ce3 N9 O67 -","- C126 H134 Cd4 Ce6 N18 O134 -","2","0.5","","Prasad, T. K.; Rajasekharan, M. V.","Solvent Dependent Crystallization of Isomeric Chain Coordination Polymers in the Ce-Zn/Cd-dipic System","Crystal Growth & Design","2008","8","4","1346","","10.1021/cg070349z","","","0.71073","MoKα","","0.053","0.0477","","","0.1327","0.1369","","","","","","1.044","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503102","10.2289","0.0011","22.036","0.002","14.6701","0.0013","90","","111.926","0.006","90","","3067.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cd Ce N3 O19 -","- C23 H27 Cd Ce N3 O19 -","- C92 H108 Cd4 Ce4 N12 O76 -","4","1","","Prasad, T. K.; Rajasekharan, M. V.","Solvent Dependent Crystallization of Isomeric Chain Coordination Polymers in the Ce-Zn/Cd-dipic System","Crystal Growth & Design","2008","8","4","1346","","10.1021/cg070349z","","","0.71073","MoKα","","0.0455","0.0368","","","0.0827","0.0866","","","","","","1.048","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503103","9.6829","0.0017","25.235","0.004","11.947","0.002","90","","94.25","0.003","90","","2911.2","0.8","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H23 Cd Ce N3 O19 -","- C21 H23 Cd Ce N3 O19 -","- C84 H92 Cd4 Ce4 N12 O76 -","4","1","","Prasad, T. K.; Rajasekharan, M. V.","Solvent Dependent Crystallization of Isomeric Chain Coordination Polymers in the Ce-Zn/Cd-dipic System","Crystal Growth & Design","2008","8","4","1346","","10.1021/cg070349z","","","0.71073","MoKα","","0.021","0.0206","","","0.0499","0.05","","","","","","1.087","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503104","5.0669","0.0009","5.3543","0.0009","19.302","0.003","90","","95.512","0.003","90","","521.24","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H6 F2 N O -","- C13 H6 F2 N O -","- C26 H12 F4 N2 O2 -","2","1","","Chopra, Deepak; Row, T. N. Guru","Disorder Induced Concomitant Polymorphism in 3-Fluoro-N-(3-fluorophenyl)benzamide","Crystal Growth & Design","2008","8","3","848","","10.1021/cg070350y","","","0.71073","MoKα","","0.0934","0.061","","","0.1516","0.1721","","","","","","1.08","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503105","14.767","0.003","14.926","0.003","15.933","0.003","79.58","0.03","73.47","0.03","81.16","0.03","3291.6","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H41 Cd3 N O24 -","- C63 H31 Cd3 N O24 -","- C126 H62 Cd6 N2 O48 -","2","1","","Han, Lei; Zhou, Yan; Zhao, Wen-Na","Assembly of a Cluster-Based Coordination Polymer from a Linear Trimetallic Building Block Surrounded by Flexible Hingelike Ligands","Crystal Growth & Design","2008","8","7","2052","","10.1021/cg070381t","","","0.71073","MoKα","","0.1019","0.0612","","","0.184","0.2146","","","","","","0.966","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503106","12.6395","0.0004","14.7442","0.0007","18.4913","0.0007","86.597","0.006","82.283","0.004","82.239","0.007","3380.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H45 Cd3 N3 O22 -","- C73 H32 Cd3 N3 O22 -","- C146 H64 Cd6 N6 O44 -","2","1","","Han, Lei; Zhou, Yan; Zhao, Wen-Na","Assembly of a Cluster-Based Coordination Polymer from a Linear Trimetallic Building Block Surrounded by Flexible Hingelike Ligands","Crystal Growth & Design","2008","8","7","2052","","10.1021/cg070381t","","","0.71073","MoKα","","0.0696","0.058","","","0.1726","0.1861","","","","","","0.939","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503107","15.94","0.003","6.4354","0.0013","7.9017","0.0016","90","","116.468","0.003","90","","725.6","0.2","273","2","273","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H3 Li O3 -","- C3 H3 Li O3 -","- C24 H24 Li8 O24 -","8","1","","Xiang, Jiangfeng; Chang, Caixian; Li, Ming; Wu, Simin; Yuan, Liangjie; Sun, Jutang","A Novel Coordination Polymer as Positive Electrode Material for Lithium Ion Battery","Crystal Growth & Design","2008","8","1","280","","10.1021/cg070386q","","","0.71073","MoKα","","0.0414","0.0397","","","0.1166","0.1175","","","","","","1.139","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503108","7.7048","0.0015","14.356","0.003","18.4","0.004","90","","90","","90","","2035.2","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","1","","Chen, Jianxin; Wang, Jingkang; Ulrich, Joachim; Yin, Qiuxiang; Xue, Lvzhong","Effect of Solvent on the Crystal Structure and Habit of Hydrocortisone","Crystal Growth & Design","2008","8","5","1490","","10.1021/cg0703947","","","0.71073","MoKα","","0.0365","0.0342","","","0.0996","0.1016","","","","","","1.174","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503109","9.1861","0.0014","11.669","0.0018","16.746","0.003","73.2","0.003","89.465","0.003","77.158","0.003","1672.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H70 Cl8 O2 P4 Rh2 -","- C65 H70 Cl8 O2 P4 Rh2 -","- C65 H70 Cl8 O2 P4 Rh2 -","1","0.5","","Janjic, Nikolina; Peli, Giulia; Garlaschelli, Luigi; Sironi, Angelo; Macchi, Piero","Synthesis and Solid-State Behavior of Host‒Guest Carbonyl Rh(I) Polymers Assembled through Bidentate Phosphine Ligands","Crystal Growth & Design","2008","8","3","854","","10.1021/cg070426q","","","0.71069","MoKα","","0.065","0.0461","","","0.1239","0.1383","","","","","","1.059","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503110","9.715","0.003","10.638","0.003","10.931","0.003","98.241","0.003","112.615","0.003","113.644","0.003","894.2","0.4","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Cl5 O P2 Rh -","- C33 H36 Cl5 O P2 Rh -","- C33 H36 Cl5 O P2 Rh -","1","0.5","","Janjic, Nikolina; Peli, Giulia; Garlaschelli, Luigi; Sironi, Angelo; Macchi, Piero","Synthesis and Solid-State Behavior of Host‒Guest Carbonyl Rh(I) Polymers Assembled through Bidentate Phosphine Ligands","Crystal Growth & Design","2008","8","3","854","","10.1021/cg070426q","","","0.71069","MoKα","","0.0793","0.0599","","","0.1582","0.1712","","","","","","1.04","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4503111","9.684","0.005","10.637","0.005","17.549","0.005","94.942","0.005","92.91","0.005","113.401","0.005","1645.7","1.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl3 O P2 Rh -","- C32 H34 Cl3 O P2 Rh -","- C64 H68 Cl6 O2 P4 Rh2 -","2","1","","Janjic, Nikolina; Peli, Giulia; Garlaschelli, Luigi; Sironi, Angelo; Macchi, Piero","Synthesis and Solid-State Behavior of Host‒Guest Carbonyl Rh(I) Polymers Assembled through Bidentate Phosphine Ligands","Crystal Growth & Design","2008","8","3","854","","10.1021/cg070426q","","","0.71069","MoKα","","0.2484","0.108","","","0.263","0.3459","","","","","","0.979","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4503112","9.5077","0.0014","18.833","0.003","10.5919","0.0016","90","","109.115","0.003","90","","1792","0.5","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl1.5 O P Rh0.5 -","- C18 H21 Cl1.5 O P Rh0.5 -","- C72 H84 Cl6 O4 P4 Rh2 -","4","1","","Janjic, Nikolina; Peli, Giulia; Garlaschelli, Luigi; Sironi, Angelo; Macchi, Piero","Synthesis and Solid-State Behavior of Host‒Guest Carbonyl Rh(I) Polymers Assembled through Bidentate Phosphine Ligands","Crystal Growth & Design","2008","8","3","854","","10.1021/cg070426q","","","0.71069","MoKα","","0.0696","0.0453","","","0.1023","0.1148","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4503113","9.153","0.005","10.376","0.005","16.317","0.005","97.68","0.005","90.057","0.005","114.465","0.005","1395.1","1.1","293","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H64 Cl2 Ir2 O2 P4 -","- C62 H64 Cl2 Ir2 O2 P4 -","- C62 H64 Cl2 Ir2 O2 P4 -","1","0.5","","Janjic, Nikolina; Peli, Giulia; Garlaschelli, Luigi; Sironi, Angelo; Macchi, Piero","Synthesis and Solid-State Behavior of Host‒Guest Carbonyl Rh(I) Polymers Assembled through Bidentate Phosphine Ligands","Crystal Growth & Design","2008","8","3","854","","10.1021/cg070426q","","","0.71069","MoKα","","0.1577","0.1043","","","0.2427","0.2632","","","","","","1.277","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4503114","9.369","0.002","11.834","0.003","16.531","0.004","74.323","0.005","88.336","0.005","76.061","0.005","1711.4","0.7","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Cl O2 P2 Rh -","- C34 H38 Cl O2 P2 Rh -","- C68 H76 Cl2 O4 P4 Rh2 -","2","1","","Janjic, Nikolina; Peli, Giulia; Garlaschelli, Luigi; Sironi, Angelo; Macchi, Piero","Synthesis and Solid-State Behavior of Host‒Guest Carbonyl Rh(I) Polymers Assembled through Bidentate Phosphine Ligands","Crystal Growth & Design","2008","8","3","854","","10.1021/cg070426q","","","0.71069","MoKα","","0.2576","0.0795","","","0.1884","0.2552","","","","","","0.957","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503115","10.9101","0.0011","15.5148","0.0015","7.2463","0.0007","90","","90","","90","","1226.6","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-diaminoadamantane dihydrochloride","","- C10 H20 Cl2 N2 -","- C10 H20 Cl2 N2 -","- C40 H80 Cl8 N8 -","4","1","","Ergaz, Itzhak; Toscano, Rubén Alfredo; Delgado, Guillermo; Steinberg, Avital; Glaser, Robert","The Effect of Environment on Molecular Structure: The Crystalline-State Stereochemistry ofN-Methylated Adamantane 1,3-Diammonium Salts","Crystal Growth & Design","2008","8","4","1399","","10.1021/cg0704908","","","0.71073","MoKα","","0.0335","0.0327","","","0.0766","0.0772","","","","","","1.084","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503116","17.482","0.002","22.194","0.002","9.66","0.001","90","","120.173","0.002","90","","3240.2","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetramethyl-1,3-diaminoadamantane dihydrochloride monohydrate","","- C14 H30 Cl2 N2 O -","- C14 H30 Cl2 N2 O -","- C112 H240 Cl16 N16 O8 -","8","1","","Ergaz, Itzhak; Toscano, Rubén Alfredo; Delgado, Guillermo; Steinberg, Avital; Glaser, Robert","The Effect of Environment on Molecular Structure: The Crystalline-State Stereochemistry ofN-Methylated Adamantane 1,3-Diammonium Salts","Crystal Growth & Design","2008","8","4","1399","","10.1021/cg0704908","","","0.71073","MoKα","","0.0399","0.0358","","","0.087","0.0897","","","","","","1.038","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503117","9.64","0.001","13.982","0.002","15.601","0.002","90","","90","","90","","2102.8","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N,N,N',N',N'-hexamethyl-1,3-diaminoadamantane diiodide monohydrate","","- C16 H34 I2 N2 O -","- C16 H34 I2 N2 O -","- C64 H136 I8 N8 O4 -","4","1","","Ergaz, Itzhak; Toscano, Rubén Alfredo; Delgado, Guillermo; Steinberg, Avital; Glaser, Robert","The Effect of Environment on Molecular Structure: The Crystalline-State Stereochemistry ofN-Methylated Adamantane 1,3-Diammonium Salts","Crystal Growth & Design","2008","8","4","1399","","10.1021/cg0704908","","","0.71073","MoKα","","0.0494","0.0457","","","0.1077","0.1104","","","","","","1.072","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503118","9.154","0.001","14.825","0.002","16.722","0.002","108.774","0.002","90.969","0.002","90.791","0.002","2147.8","0.5","173","2","294","2","","","","","","","","5","P -1","-P 1","2","","5,7,N,N,N,N',N',N'-octamethyl-1,3-diaminoadamantane dibromide dihydrate","","- C18 H40 Br2 N2 O2 -","- C18 H40 Br2 N2 O2 -","- C72 H160 Br8 N8 O8 -","4","2","","Ergaz, Itzhak; Toscano, Rubén Alfredo; Delgado, Guillermo; Steinberg, Avital; Glaser, Robert","The Effect of Environment on Molecular Structure: The Crystalline-State Stereochemistry ofN-Methylated Adamantane 1,3-Diammonium Salts","Crystal Growth & Design","2008","8","4","1399","","10.1021/cg0704908","","","0.71073","MoKα","","0.0559","0.0407","","","0.0914","0.0982","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503119","5.03","0.001","13.731","0.003","20.22","0.004","90","","92.19","0.03","90","","1395.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Hg3 I6 N4 O2 -","- C14 H14 Hg3 I6 N4 O2 -","- C28 H28 Hg6 I12 N8 O4 -","2","0.5","","Zeng, Qingdao; Li, Min; Wu, Dongxia; Lei, Shengbin; Liu, Caiming; Piao, Lingyu; Yang, Yanlian; An, Shiyan; Wang, Chen","Organic−Inorganic Hybrid Aligned by the Ligand−Ligand Hydrogen Bonds by Using Pyridyl-Substituted Oxalamides as the Building Blocks","Crystal Growth & Design","2008","8","3","869","","10.1021/cg070506u","","","0.71073","MoKα","","0.07","0.0537","","","0.1733","0.1819","","","","","","1.087","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503120","17.314","0.003","5.3628","0.0011","23.927","0.007","90","","133.577","0.017","90","","1609.5","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H64 Br4 Cu2 N16 O12 -","- C56 H64 Br4 Cu2 N16 O12 -","- C56 H64 Br4 Cu2 N16 O12 -","1","0.25","","Zeng, Qingdao; Li, Min; Wu, Dongxia; Lei, Shengbin; Liu, Caiming; Piao, Lingyu; Yang, Yanlian; An, Shiyan; Wang, Chen","Organic−Inorganic Hybrid Aligned by the Ligand−Ligand Hydrogen Bonds by Using Pyridyl-Substituted Oxalamides as the Building Blocks","Crystal Growth & Design","2008","8","3","869","","10.1021/cg070506u","","","0.71073","MoKα","","0.0862","0.0479","","","0.111","0.1344","","","","","","0.975","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503121","10.149","0.002","10.699","0.002","15.714","0.003","96.95","0.03","101.49","0.03","104.74","0.03","1590.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Hg I2 N8 O4 -","- C28 H27.7675 Hg I2 N8 O4 -","- C56 H55.535 Hg2 I4 N16 O8 -","2","1","","Zeng, Qingdao; Li, Min; Wu, Dongxia; Lei, Shengbin; Liu, Caiming; Piao, Lingyu; Yang, Yanlian; An, Shiyan; Wang, Chen","Organic−Inorganic Hybrid Aligned by the Ligand−Ligand Hydrogen Bonds by Using Pyridyl-Substituted Oxalamides as the Building Blocks","Crystal Growth & Design","2008","8","3","869","","10.1021/cg070506u","","","0.71073","MoKα","","0.0918","0.065","","","0.179","0.2001","","","","","","1.009","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503122","21.822","0.004","17.499","0.003","29.117","0.006","90","","90","","90","","11119","4","193","2","193","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C102 H88 Cl12 Mn4 N20 Nb6 O16 -","- C102 H88 Cl12 Mn4 N20 Nb6 O16 -","- C408 H352 Cl48 Mn16 N80 Nb24 O64 -","4","0.5","","Zhang, Jian-Jun; Zhao, Yue; Gamboa, Sergio Aarón; Lachgar, Abdessadek","Metal‒Ligand Directed Assembly of Layered Cluster-Based Coordination Polymer and Its Solvent-Mediated Structural Transformations","Crystal Growth & Design","2008","8","1","172","","10.1021/cg070532s","","","0.71073","MoKα","","0.0734","0.047","","","0.0913","0.0989","","","","","","1.035","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503123","14.949","0.004","13.373","0.004","22.736","0.006","90","","94.409","0.004","90","","4532","2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70.67 H73.33 Cl12 Mn4 N14 Nb6 O16 -","- C70.66 H64 Cl12 Mn4 N14 Nb6 O15.98 -","- C141.32 H128 Cl24 Mn8 N28 Nb12 O31.96 -","2","0.5","","Zhang, Jian-Jun; Zhao, Yue; Gamboa, Sergio Aarón; Lachgar, Abdessadek","Metal‒Ligand Directed Assembly of Layered Cluster-Based Coordination Polymer and Its Solvent-Mediated Structural Transformations","Crystal Growth & Design","2008","8","1","172","175","10.1021/cg070532s","","","0.71073","MoKα","","0.0671","0.0473","","","0.0954","0.1028","","","","","","1.056","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503124","13.381","0.002","20.966","0.004","13.915","0.002","90","","91.546","0.003","90","","3902.4","1.1","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 Cl12 Mn2 N12 Nb6 O10 -","- C54 H28 Cl12 Mn2 N12 Nb6 O10 -","- C108 H56 Cl24 Mn4 N24 Nb12 O20 -","2","0.5","","Zhang, Jian-Jun; Zhao, Yue; Gamboa, Sergio Aarón; Lachgar, Abdessadek","Metal‒Ligand Directed Assembly of Layered Cluster-Based Coordination Polymer and Its Solvent-Mediated Structural Transformations","Crystal Growth & Design","2008","8","1","172","","10.1021/cg070532s","","","0.71073","MoKα","","0.0869","0.0713","","","0.1473","0.1534","","","","","","1.206","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503125","20.3474","0.001","39.859","0.002","9.3583","0.0005","90","","90","","90","","7589.8","0.7","233","2","233","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H13 F3 N2 O4 Pb -","- C16 H13 F3 N2 O4 Pb -","- C256 H208 F48 N32 O64 Pb16 -","16","1","","Peedikakkal, Abdul Malik Puthan; Vittal, Jagadese J.","Molecular Fabric Structure Formed by the 1D Coordination Polymer, [Pb(bpe)(O2CCH3)(O2CCF3)]","Crystal Growth & Design","2008","8","2","375","","10.1021/cg070538h","","","0.71073","MoKα","","0.0479","0.0375","","","0.1061","0.112","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503126","10.699","0.007","10.232","0.007","9.759","0.007","90","","90.673","0.013","90","","1068.3","1.3","110","2","110","2","","","","","","","Aldrich","2","P 1 21/c 1","-P 2ybc","14","","Cyclohexene-III","","- C6 H10 -","- C6 H10 -","- C48 H80 -","8","2","","Ibberson, Richard M.; Telling, Mark T. F.; Parsons, Simon","Crystal Structures and Glassy Phase Transition Behavior of Cyclohexene","Crystal Growth & Design","2008","8","2","512","","10.1021/cg0705512","","","0.71073","MoKα","","0.0615","0.0472","","","0.1172","0.1261","","","","","","1.052","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503127","6.39679","0.00005","7.49764","0.00009","6.33845","0.00006","109.09","0.0008","118.363","0.0006","79.3203","0.001","252.629","0.005","2","","","","","","","","","","","2","P -1","-P 1","2","cyclohexene","perdeutero cyclohexene","","- C6 D10 -","- C6 D10 -","- C12 D20 -","2","1","","Ibberson, Richard M.; Telling, Mark T. F.; Parsons, Simon","Crystal Structures and Glassy Phase Transition Behavior of Cyclohexene","Crystal Growth & Design","2008","8","2","512","","10.1021/cg0705512","powder diffraction","neutron","","neutron","","","","","","","","0.07828","","1","","","","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503128","7.5336","0.0002","17.6877","0.0005","8.1416","0.0002","90","","94.872","0.001","90","","1080.97","0.05","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","2","","Trevor, Susannah L.; Butler, Micheal F.; Adams, Sarah; Laity, Peter R.; Burley, Jonathan C.; Cameron, Ruth E.","Structure and Phase Transitions of Genipin, An Herbal Medicine and Naturally Occurring Cross-Linker","Crystal Growth & Design","2008","8","5","1748","","10.1021/cg070560a","","","0.71073","MoKα","","0.0409","0.0382","","","0.0927","0.0946","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503129","5.112","0.003","7.944","0.004","9.247","0.005","85.623","0.01","74.924","0.01","75.352","0.009","350.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Urea Imidazolidone Co-crystal","Urea Imidazolidone Co-crystal","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C8 H20 N8 O4 -","2","1","","Deutsch, Zvicka; Bernstein, Joel","Cocrystal of Urea and Imidazolidone: Formation of an Unexpected 1-D Substructure in a Plausibly Predictable Cocrystal","Crystal Growth & Design","2008","8","10","3537","","10.1021/cg070569c","","","0.71073","MoKα","","0.0677","0.0491","","","0.1336","0.1596","","","","","","1.127","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503130","9.3214","0.0011","10.5932","0.0012","7.6988","0.0009","90","","95.059","0.008","90","","757.24","0.15","298","","298","","","","","","","","Sigma Aldrich","4","P 1 21/c 1","-P 2ybc","14","","3-aza-bicyclo(3.3.1)nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wood, Peter A.; Haynes, Delia A.; Lennie, Alistair R.; Motherwell, W. D. Samuel; Parsons, Simon; Pidcock, Elna; Warren, John E.","The Anisotropic Compression of the Crystal Structure of 3-Aza-bicyclo(3.3.1)nonane-2,4-dione to 7.1 GPa","Crystal Growth & Design","2008","8","2","549","","10.1021/cg0705815","","","0.71073","MoKα","","0.1185","0.0553","","0.1371","0.1082","0.1371","","","","","","0.9223","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503131","8.868","0.009","10.2833","0.0016","7.7016","0.0013","90","","95.88","0.03","90","","698.6","0.7","298","","298","","","","900000","","","","Sigma Aldrich","4","P 1 21/c 1","-P 2ybc","14","","3-aza-bicyclo(3.3.1)nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wood, Peter A.; Haynes, Delia A.; Lennie, Alistair R.; Motherwell, W. D. Samuel; Parsons, Simon; Pidcock, Elna; Warren, John E.","The Anisotropic Compression of the Crystal Structure of 3-Aza-bicyclo(3.3.1)nonane-2,4-dione to 7.1 GPa","Crystal Growth & Design","2008","8","2","549","","10.1021/cg0705815","","","0.846","synchrotron","","0.0598","0.0545","","0.1381","0.13","0.1381","","","","","","0.9516","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503132","8.564","0.007","10.0876","0.0018","7.6419","0.0012","90","","96.38","0.03","90","","656.1","0.6","298","","298","","","","1900000","","","","Sigma Aldrich","4","P 1 21/c 1","-P 2ybc","14","","3-aza-bicyclo(3.3.1)nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wood, Peter A.; Haynes, Delia A.; Lennie, Alistair R.; Motherwell, W. D. Samuel; Parsons, Simon; Pidcock, Elna; Warren, John E.","The Anisotropic Compression of the Crystal Structure of 3-Aza-bicyclo(3.3.1)nonane-2,4-dione to 7.1 GPa","Crystal Growth & Design","2008","8","2","549","","10.1021/cg0705815","","","0.846","synchrotron","","0.0585","0.0531","","0.1401","0.1318","0.1401","","","","","","0.9392","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503133","8.367","0.008","9.9317","0.0017","7.5667","0.0012","90","","96.49","0.03","90","","624.8","0.6","298","","298","","","","3000000","","","","Sigma Aldrich","4","P 1 21/c 1","-P 2ybc","14","","3-aza-bicyclo(3.3.1)nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wood, Peter A.; Haynes, Delia A.; Lennie, Alistair R.; Motherwell, W. D. Samuel; Parsons, Simon; Pidcock, Elna; Warren, John E.","The Anisotropic Compression of the Crystal Structure of 3-Aza-bicyclo(3.3.1)nonane-2,4-dione to 7.1 GPa","Crystal Growth & Design","2008","8","2","549","","10.1021/cg0705815","","","0.846","synchrotron","","0.0538","0.0497","","0.1227","0.1169","0.1227","","","","","","0.9008","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503134","8.254","0.004","9.8542","0.0015","7.5245","0.0011","90","","96.63","0.03","90","","607.9","0.3","298","","298","","","","4400000","","","","Sigma Aldrich","4","P 1 21/c 1","-P 2ybc","14","","3-aza-bicyclo(3.3.1)nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wood, Peter A.; Haynes, Delia A.; Lennie, Alistair R.; Motherwell, W. D. Samuel; Parsons, Simon; Pidcock, Elna; Warren, John E.","The Anisotropic Compression of the Crystal Structure of 3-Aza-bicyclo(3.3.1)nonane-2,4-dione to 7.1 GPa","Crystal Growth & Design","2008","8","2","549","","10.1021/cg0705815","","","0.846","synchrotron","","0.0472","0.044","","0.1092","0.1057","0.1092","","","","","","0.9013","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503135","8.054","0.007","9.782","0.003","7.5043","0.0019","90","","96.8","0.05","90","","587.1","0.6","298","","298","","","","5900000","","","","Sigma Aldrich","4","P 1 21/c 1","-P 2ybc","14","","3-aza-bicyclo(3.3.1)nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wood, Peter A.; Haynes, Delia A.; Lennie, Alistair R.; Motherwell, W. D. Samuel; Parsons, Simon; Pidcock, Elna; Warren, John E.","The Anisotropic Compression of the Crystal Structure of 3-Aza-bicyclo(3.3.1)nonane-2,4-dione to 7.1 GPa","Crystal Growth & Design","2008","8","2","549","","10.1021/cg0705815","","","0.846","synchrotron","","0.0651","0.0589","","0.1618","0.1497","0.1618","","","","","","0.9294","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503136","7.938","0.007","9.754","0.003","7.481","0.002","90","","97.03","0.06","90","","574.9","0.6","298","","298","","","","7100000","","","","Sigma Aldrich","4","P 1 21/c 1","-P 2ybc","14","","3-aza-bicyclo(3.3.1)nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wood, Peter A.; Haynes, Delia A.; Lennie, Alistair R.; Motherwell, W. D. Samuel; Parsons, Simon; Pidcock, Elna; Warren, John E.","The Anisotropic Compression of the Crystal Structure of 3-Aza-bicyclo(3.3.1)nonane-2,4-dione to 7.1 GPa","Crystal Growth & Design","2008","8","2","549","","10.1021/cg0705815","","","0.846","synchrotron","","0.0878","0.0761","","0.2057","0.1898","0.2057","","","","","","0.8534","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503137","4.693","0.0001","19.9373","0.0004","7.5503","0.0002","90","","103.159","0.001","90","","687.9","0.03","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-deoxylactose","","","- C12 H22 O10 -","- C12 H22 O10 -","- C24 H44 O20 -","2","1","","Guiry, Kevin P.; Coles, Simon J.; Moynihan, Humphrey A.; Lawrence, Simon E.","Effect of 1-Deoxy-d-lactose upon the Crystallization ofd-Lactose","Crystal Growth & Design","2008","8","11","3927","","10.1021/cg070598n","","","0.71073","MoKα","","0.03","0.0269","","","0.0653","0.0676","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503138","5.03","0.003","7.593","0.005","19.374","0.012","81.026","0.01","85.044","0.009","74.247","0.009","702.7","0.8","120","2","120","2","","","","","","","","3","P 1","P 1","1","alpha/beta lactose","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","2","","Guiry, Kevin P.; Coles, Simon J.; Moynihan, Humphrey A.; Lawrence, Simon E.","Effect of 1-Deoxy-d-lactose upon the Crystallization ofd-Lactose","Crystal Growth & Design","2008","8","11","3927","","10.1021/cg070598n","","","0.6911","synchrotron","","0.078","0.0746","","","0.2036","0.2067","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503139","15.8227","0.001","45.308","0.003","12.7105","0.0008","90","","90","","90","","9112.1","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H36 Cd N6 O16 -","- C26 H36 Cd N6 O16 -","- C208 H288 Cd8 N48 O128 -","8","0.5","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.0627","0.0573","","","0.1539","0.1596","","","","","","1.048","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503140","16.0984","0.0016","14.607","0.0014","16.1257","0.0016","90","","101.479","0.002","90","","3716.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cd2 N2 O18 -","- C34 H24 Cd2 N2 O18 -","- C136 H96 Cd8 N8 O72 -","4","1","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.1004","0.0933","","","0.2106","0.2369","","","","","","1.035","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503141","20.1824","0.0014","20.1824","0.0014","12.6052","0.0018","90","","90","","90","","5134.5","0.9","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C60 H76 Cd5 Cl4 N4 O24 -","- C60 H76 Cd5 Cl4 N4 O24 -","- C120 H152 Cd10 Cl8 N8 O48 -","2","0.25","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.0393","0.038","","","0.1255","0.1271","","","","","","1.017","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503142","10.243","0.002","36.485","0.008","17.971","0.004","90","","99.753","0.004","90","","6619","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Cd3 N O19 -","- C33 H25 Cd3 N O19 -","- C132 H100 Cd12 N4 O76 -","4","1","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.071","0.0576","","","0.1722","0.1848","","","","","","1.078","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503143","11.061","0.002","16.136","0.003","12.343","0.003","90","","102.48","0.03","90","","2150.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O7 Zn -","- C18 H25 N O7 Zn -","- C72 H100 N4 O28 Zn4 -","4","1","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.0564","0.0496","","","0.1518","0.1574","","","","","","1.062","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503144","10.0355","0.0005","12.819","0.0006","15.4797","0.0007","90","","102.486","0.001","90","","1944.29","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cd Cl0 N O6 -","- C18 H25 Cd N O6 -","- C72 H100 Cd4 N4 O24 -","4","1","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.0305","0.029","","","0.0872","0.0889","","","","","","1","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503145","10.2235","0.0011","12.9894","0.0013","30.487","0.003","90","","91.993","0.002","90","","4046.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cd2 N O13 -","- C30 H34 Cd2 N O13 -","- C120 H136 Cd8 N4 O52 -","4","1","","Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun","Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies","Crystal Growth & Design","2008","8","1","319","","10.1021/cg070604f","","","0.71073","MoKα","","0.1066","0.0943","","","0.2811","0.2933","","","","","","1.057","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503146","14.341","0.004","12.286","0.003","10.964","0.003","90","","93.13","0.03","90","","1928.9","0.9","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O11 -","- C20 H18 N2 O11 -","- C80 H72 N8 O44 -","4","1","","Wang, Yujiang; Tang, Liming; Yu, Jian","Investigation of Spontaneous Transition from Low-Molecular-Weight Hydrogel into Macroscopic Crystals","Crystal Growth & Design","2008","8","3","884","","10.1021/cg070619d","","","0.71073","MoKα","","0.0552","0.043","","","0.0892","0.0945","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503147","19.3236","0.0004","19.3236","","14.625","0.0002","90","","90","","120","","4729.36","0.12","100","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C41 H35 F O5 -","- C41 H35 F O5 -","- C246 H210 F6 O30 -","6","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces","Crystal Growth & Design","2008","8","3","890","","10.1021/cg070632y","","","0.71073","MoKα","","0.0989","0.0922","","","0.2276","0.234","","","","","","1.002","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503148","19.5","0.001","19.5","","14.5746","0.0004","90","","90","","120","","4799.5","0.3","100","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C41 H35 Cl O5 -","- C41 H35 Cl O5 -","- C246 H210 Cl6 O30 -","6","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces","Crystal Growth & Design","2008","8","3","890","","10.1021/cg070632y","","","0.71073","MoKα","","0.0702","0.0455","","","0.1007","0.1168","","","","","","1.004","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503149","19.552","0.001","19.552","","14.587","0.0003","90","","90","","120","","4829.2","0.3","100","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C41 H35 Br O5 -","- C41 H35 Br O5 -","- C246 H210 Br6 O30 -","6","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces","Crystal Growth & Design","2008","8","3","890","","10.1021/cg070632y","","","0.71073","MoKα","","0.0771","0.0557","","","0.1374","0.1566","","","","","","1.003","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503150","18.0409","0.0004","11.9567","0.0003","15.2864","0.0004","90","","90","","90","","3297.42","0.14","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C41 H35 I O5 -","- C41 H35 I O5 -","- C164 H140 I4 O20 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Raston, Colin L.","Mapping Out the Molecular Interplay in Monohalobenzene Inclusion Complexes ofp-H-calix[5]arene Using Hirshfeld Surfaces","Crystal Growth & Design","2008","8","3","890","","10.1021/cg070632y","","","0.71073","MoKα","","0.0652","0.0325","","","0.0544","0.0611","","","","","","1.001","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503151","11.0916","0.0017","14.785","0.002","15.723","0.002","90","","107.15","0.002","90","","2463.8","0.6","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C23 H20 Ag F3 N2 O3 S3 -","- C23 H20 Ag F3 N2 O3 S3 -","- C92 H80 Ag4 F12 N8 O12 S12 -","4","1","","Chen, Chun-Long; Yu, Zhi-Quan; Zhang, Qian; Pan, Mei; Zhang, Jian-Yong; Zhao, Cun-Yuan; Su, Cheng-Yong","Formation of Disilver(I) Metallacycle and One-Dimensional Polymeric Chain from the Same Mononuclear Building Block: Assembly Mechanism upon Crystallization","Crystal Growth & Design","2008","8","3","897","","10.1021/cg070634i","","","0.71073","MoKα","","0.0681","0.05","","","0.1444","0.1641","","","","","","1.003","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503152","20.882","0.003","15.122","0.002","17.797","0.003","90","","103.184","0.002","90","","5471.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H43 Ag2 F6 N5 O6 S6 -","- C48 H43 Ag2 F6 N5 O6 S6 -","- C192 H172 Ag8 F24 N20 O24 S24 -","4","0.5","","Chen, Chun-Long; Yu, Zhi-Quan; Zhang, Qian; Pan, Mei; Zhang, Jian-Yong; Zhao, Cun-Yuan; Su, Cheng-Yong","Formation of Disilver(I) Metallacycle and One-Dimensional Polymeric Chain from the Same Mononuclear Building Block: Assembly Mechanism upon Crystallization","Crystal Growth & Design","2008","8","3","897","","10.1021/cg070634i","","","0.71073","MoKα","","0.0778","0.0541","","","0.1546","0.1707","","","","","","1.032","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503153","15.101","0.004","8.02","0.002","36.983","0.01","90","","90","","90","","4479","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H40 Ag2 Cl2 N4 O6 S4 -","- C44 H40 Ag2 Cl2 N4 O6 S4 -","- C176 H160 Ag8 Cl8 N16 O24 S16 -","4","0.5","","Chen, Chun-Long; Yu, Zhi-Quan; Zhang, Qian; Pan, Mei; Zhang, Jian-Yong; Zhao, Cun-Yuan; Su, Cheng-Yong","Formation of Disilver(I) Metallacycle and One-Dimensional Polymeric Chain from the Same Mononuclear Building Block: Assembly Mechanism upon Crystallization","Crystal Growth & Design","2008","8","3","897","","10.1021/cg070634i","","","0.71073","MoKα","","0.1552","0.1235","","","0.2227","0.2392","","","","","","1.097","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503154","15.722","0.007","13.768","0.006","20.967","0.01","90","","99.739","0.009","90","","4473","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Ag2 Cl2 N4 O8 S4 -","- C44 H40 Ag2 Cl2 N4 O8 S4 -","- C176 H160 Ag8 Cl8 N16 O32 S16 -","4","1","","Chen, Chun-Long; Yu, Zhi-Quan; Zhang, Qian; Pan, Mei; Zhang, Jian-Yong; Zhao, Cun-Yuan; Su, Cheng-Yong","Formation of Disilver(I) Metallacycle and One-Dimensional Polymeric Chain from the Same Mononuclear Building Block: Assembly Mechanism upon Crystallization","Crystal Growth & Design","2008","8","3","897","","10.1021/cg070634i","","","0.71073","MoKα","","0.1268","0.0651","","","0.1715","0.216","","","","","","1.038","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503155","7.8165","0.0012","12.3313","0.0018","13.2004","0.0019","91.682","0.003","93.09","0.003","98.945","0.003","1254.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 Ag2 Cl2 N6 O8 S4 -","- C48 H46 Ag2 Cl2 N6 O8 S4 -","- C48 H46 Ag2 Cl2 N6 O8 S4 -","1","0.5","","Chen, Chun-Long; Yu, Zhi-Quan; Zhang, Qian; Pan, Mei; Zhang, Jian-Yong; Zhao, Cun-Yuan; Su, Cheng-Yong","Formation of Disilver(I) Metallacycle and One-Dimensional Polymeric Chain from the Same Mononuclear Building Block: Assembly Mechanism upon Crystallization","Crystal Growth & Design","2008","8","3","897","","10.1021/cg070634i","","","0.71073","MoKα","","0.1165","0.064","","","0.125","0.1342","","","","","","1.01","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503156","28.4132","0.0007","28.4132","0.0007","14.0586","0.0007","90","","90","","90","","11349.6","0.7","293","2","293","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H64 Cu19 I20 N30 -","- C68 H64 Cu19 I23 N30 -","- C272 H256 Cu76 I92 N120 -","4","0.25","","Wu, Tao; Li, Mian; Li, Dan; Huang, Xiao-Chun","Anionic CunInCluster-Based Architectures Induced by In Situ GeneratedN-Alkylated Cationic Triazolium Salts","Crystal Growth & Design","2008","8","2","568","","10.1021/cg070639f","","","0.71073","MoKα","","0.0704","0.0559","","","0.1596","0.1698","","","","","","1.097","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503157","7.9605","0.0005","8.2819","0.0006","8.3378","0.0006","116.322","0.001","99.543","0.001","104.153","0.001","453.34","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H5 Cu2 I2 N3 -","- C3 H5 Cu2 I2 N3 -","- C6 H10 Cu4 I4 N6 -","2","1","","Wu, Tao; Li, Mian; Li, Dan; Huang, Xiao-Chun","Anionic CunInCluster-Based Architectures Induced by In Situ GeneratedN-Alkylated Cationic Triazolium Salts","Crystal Growth & Design","2008","8","2","568","","10.1021/cg070639f","","","0.71073","MoKα","","0.0395","0.038","","","0.1023","0.1038","","","","","","1.107","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503158","10.6931","0.001","14.4122","0.0015","17.5869","0.0017","90","","102.795","0.002","90","","2643","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cu6 I5 N9 -","- C10 H16 Cu6 I5 N9 -","- C40 H64 Cu24 I20 N36 -","4","1","","Wu, Tao; Li, Mian; Li, Dan; Huang, Xiao-Chun","Anionic CunInCluster-Based Architectures Induced by In Situ GeneratedN-Alkylated Cationic Triazolium Salts","Crystal Growth & Design","2008","8","2","568","","10.1021/cg070639f","","","0.71073","MoKα","","0.1121","0.0617","","","0.1478","0.1778","","","","","","0.972","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503159","11.639","0.0007","29.7697","0.0019","4.1222","0.0003","90","","90","","90","","1428.3","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H8 Cu3 I N6 -","- C12 H8 Cu3 I N6 -","- C48 H32 Cu12 I4 N24 -","4","0.5","","Wu, Tao; Li, Mian; Li, Dan; Huang, Xiao-Chun","Anionic CunInCluster-Based Architectures Induced by In Situ GeneratedN-Alkylated Cationic Triazolium Salts","Crystal Growth & Design","2008","8","2","568","","10.1021/cg070639f","","","0.71073","MoKα","","0.0615","0.0486","","","0.1283","0.1434","","","","","","1.177","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503160","23.88","0.004","9.9487","0.0016","17.358","0.003","90","","108.96","0.002","90","","3900.1","1.1","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[C60(CH2NH(CH3)CH2)+][Rh(CO)2CL2-].CS2","","","- C66 H8 Cl2 N O2 Rh S2 -","- C66 H8 Cl2 N O2 Rh S2 -","- C264 H32 Cl8 N4 O8 Rh4 S8 -","4","1","","Chancellor, Christopher J.; Thorn, Adrienne A.; Beavers, Christine M.; Olmstead, Marilyn M.; Balch, Alan L.","Bilayer Packing of Amphiphilic Cationic Fullerenes in Crystalline Salts: Models for Self-Assembled Nanostructures","Crystal Growth & Design","2008","8","3","976","","10.1021/cg070643r","","","0.71073","MoKα","","0.1041","0.0729","","","0.1871","0.1958","","","","","","1.061","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503161","10.0021","0.0004","13.5113","0.0005","16.6519","0.0006","76.031","0.003","89.573","0.004","75.374","0.003","2109.61","0.14","90","2","90","2","","","","","","","","7","P -1","-P 1","2","C60pipH+ Rh(CO)2Cl2- .2CS2","","","- C68 H9 Cl2 N2 O2 Rh S4 -","- C68 H9 Cl2 N2 O2 Rh S4 -","- C136 H18 Cl4 N4 O4 Rh2 S8 -","2","1","","Chancellor, Christopher J.; Thorn, Adrienne A.; Beavers, Christine M.; Olmstead, Marilyn M.; Balch, Alan L.","Bilayer Packing of Amphiphilic Cationic Fullerenes in Crystalline Salts: Models for Self-Assembled Nanostructures","Crystal Growth & Design","2008","8","3","976","","10.1021/cg070643r","","","0.71073","MoKα","","0.0569","0.0384","","","0.0916","0.0963","","","","","","1.065","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503162","9.8929","0.0018","17.476","0.003","21.884","0.004","90","","94.645","0.004","90","","3771.1","1.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","{C~60~[CH~2~N(CH~3~)(CH~2~CH~3~)]CH~2~}I^.^CH~3~CH~2~I","N-methyl-N-ethyl-3,4-[60]fulleropyrrolidium iodide ethylliodide solvate","","- C67 H17 I2 N -","- C67 H17 I2 N -","- C268 H68 I8 N4 -","4","2","","Chancellor, Christopher J.; Thorn, Adrienne A.; Beavers, Christine M.; Olmstead, Marilyn M.; Balch, Alan L.","Bilayer Packing of Amphiphilic Cationic Fullerenes in Crystalline Salts: Models for Self-Assembled Nanostructures","Crystal Growth & Design","2008","8","3","976","","10.1021/cg070643r","","","0.7749","synchrotron","","0.0709","0.0648","","","0.1819","0.1885","","","","","","0.957","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503163","15.913","0.005","6.016","0.0016","18.043","0.005","90","","90.518","0.009","90","","1727.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu3 N2 O12 P2 -","- C12 H10 Cu3 N2 O12 P2 -","- C48 H40 Cu12 N8 O48 P8 -","4","0.5","","Yang, Yi-Fan; Ma, Yun-Sheng; Guo, Li-Rong; Zheng, Li-Min","Copper Phosphonates based on 2-Phosphonic-isonicotinate: Structures and Magnetic Properties","Crystal Growth & Design","2008","8","4","1213","","10.1021/cg700673x","","","0.71073","MoKα","","0.0504","0.0417","","","0.0942","0.0975","","","","","","1.076","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503164","19.039","0.003","7.1853","0.0013","12.355","0.002","90","","116.666","0.003","90","","1510.4","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu N2 O10 P2 -","- C12 H10 Cu N2 O10 P2 -","- C48 H40 Cu4 N8 O40 P8 -","4","0.5","","Yang, Yi-Fan; Ma, Yun-Sheng; Guo, Li-Rong; Zheng, Li-Min","Copper Phosphonates based on 2-Phosphonic-isonicotinate: Structures and Magnetic Properties","Crystal Growth & Design","2008","8","4","1213","","10.1021/cg700673x","","","0.71073","MoKα","","0.0461","0.0405","","","0.087","0.0896","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503165","12.627","0.002","7.8053","0.0013","5.8555","0.001","90","","95.954","0.003","90","","573.99","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ca2 O6 -","- C12 H8 Ca2 O6 -","- C24 H16 Ca4 O12 -","2","0.5","","Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Loiseau, Thierry","Hydrothermal Crystallization of Three Calcium-Based Hybrid Solids with 2,6-Naphthalene- or 4,4′-Biphenyl-Dicarboxylates","Crystal Growth & Design","2008","8","2","685","","10.1021/cg700685g","","","0.71073","MoKα","","0.0454","0.0376","","","0.1082","0.1151","","","","","","1.033","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503166","5.8237","0.0004","6.9339","0.0005","14.7231","0.0011","90","","93.588","0.003","90","","593.37","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H8 Ca O5 -","- C14 H8 Ca O5 -","- C28 H16 Ca2 O10 -","2","1","","Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Loiseau, Thierry","Hydrothermal Crystallization of Three Calcium-Based Hybrid Solids with 2,6-Naphthalene- or 4,4′-Biphenyl-Dicarboxylates","Crystal Growth & Design","2008","8","2","685","","10.1021/cg700685g","","","0.71073","MoKα","","0.0683","0.0416","","","0.0938","0.1237","","","","","","1.12","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503167","6.5444","0.0003","30.2468","0.0013","7.2194","0.0003","90","","90","","90","","1429.06","0.11","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C14 H8 Ca O7 -","- C14 H8 Ca O7 -","- C56 H32 Ca4 O28 -","4","0.5","","Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Loiseau, Thierry","Hydrothermal Crystallization of Three Calcium-Based Hybrid Solids with 2,6-Naphthalene- or 4,4′-Biphenyl-Dicarboxylates","Crystal Growth & Design","2008","8","2","685","","10.1021/cg700685g","","","0.71073","MoKα","","0.0684","0.0516","","","0.1554","0.1791","","","","","","1.213","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503168","16.7039","0.0011","14.0024","0.0009","26.8224","0.0017","90","","91.165","0.001","90","","6272.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H146.5 Cd8 N8 O77.5 -","- C88 H127 Cd8 N8 O77.25 -","- C176 H254 Cd16 N16 O154.5 -","2","1","","Lee, Ho Yong; Park, Jaejoon; Lah, Myoung Soo; Hong, Jong-In","One-Dimensional Double Helical Structure and 4-Fold Type [2 + 2] Interpenetration of Diamondoid Networks with Helical Fashion","Crystal Growth & Design","2008","8","2","587","","10.1021/cg7007232","","","0.71073","MoKα","","0.0337","0.0304","","","0.0717","0.0733","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503169","8.8575","0.001","9.0761","0.0011","9.9599","0.0012","85.761","0.002","81.076","0.002","71.338","0.002","749.16","0.15","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H17 N O9 Zn -","- C11 H17 N O9 Zn -","- C22 H34 N2 O18 Zn2 -","2","2","","Lee, Ho Yong; Park, Jaejoon; Lah, Myoung Soo; Hong, Jong-In","One-Dimensional Double Helical Structure and 4-Fold Type [2 + 2] Interpenetration of Diamondoid Networks with Helical Fashion","Crystal Growth & Design","2008","8","2","587","","10.1021/cg7007232","","","0.71073","MoKα","","0.0283","0.0273","","","0.0742","0.0746","","","","","","1.125","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503170","23.241","0.008","4.73","0.0016","15.601","0.005","90","","96.234","0.005","90","","1704.9","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd(Gly3)2.H2O","","","- C12 H22 Cd N6 O9 -","- C12 H22 Cd N6 O9 -","- C48 H88 Cd4 N24 O36 -","4","0.5","","Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.","Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions","Crystal Growth & Design","2008","8","1","296","","10.1021/cg700724h","","","0.71073","MoKα","","0.0359","0.0263","","","0.0629","0.0671","","","","","","1.082","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503171","26.188","0.003","5.4915","0.0006","9.0351","0.001","90","","107.324","0.001","90","","1240.4","0.2","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","Cd(Ala3)2","","","- C18 H32 Cd N6 O8 -","- C18 H32 Cd N6 O8 -","- C36 H64 Cd2 N12 O16 -","2","0.5","","Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.","Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions","Crystal Growth & Design","2008","8","1","296","","10.1021/cg700724h","","","0.71073","MoKα","","0.0356","0.0319","","","0.0678","0.0697","","","","","","1.059","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503172","13.871","0.0014","33.898","0.004","5.4168","0.0006","90","","90","","90","","2547","0.5","258","2","258","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Cd(Ala2)2","","","- C36 H66 Cd3 N12 O18 -","- C36 H66 Cd3 N12 O18 -","- C72 H132 Cd6 N24 O36 -","2","0.5","","Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.","Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions","Crystal Growth & Design","2008","8","1","296","","10.1021/cg700724h","","","0.71073","MoKα","","0.0433","0.0354","","","0.0757","0.0847","","","","","","1.076","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503173","15.257","0.004","10.489","0.003","8.092","0.002","90","","96.809","0.004","90","","1285.8","0.6","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","Cd(AlaThr)2.(H2O)4","","","- C14 H42 Cd N4 O16 -","- C14 H42 Cd N4 O16 -","- C28 H84 Cd2 N8 O32 -","2","0.5","","Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G.","Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions","Crystal Growth & Design","2008","8","1","296","","10.1021/cg700724h","","","0.71073","MoKα","","0.0118","0.0118","","","0.031","0.031","","","","","","1.073","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503174","9.697","0.003","5.2313","0.0016","39.674","0.003","90","","91.747","0.015","90","","2011.6","0.9","296","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H42 O2 -","- C20 H42 O2 -","- C80 H168 O8 -","4","0.5","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0687","","","","0.2348","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503175","9.691","0.004","5.235","0.003","43.416","0.006","90","","95.21","0.02","90","","2193.5","1.6","296","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H46 O2 -","- C22 H46 O2 -","- C88 H184 O8 -","4","0.5","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0501","","","","0.1744","","","","","","0.907","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503176","9.682","0.003","5.2434","0.0018","46.952","0.003","90","","93.688","0.018","90","","2378.7","1.1","296","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 O2 -","- C24 H50 O2 -","- C96 H200 O8 -","4","0.5","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0559","","","","0.1996","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503177","5.086","0.002","7.193","0.002","22.6641","0.0014","90","","94.25","0.016","90","","826.9","0.4","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H34 O2 -","- C16 H34 O2 -","- C32 H68 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0364","","","","0.1174","","","","","","0.979","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503178","5.0706","0.0017","7.212","0.003","25.2067","0.0012","90","","93.831","0.014","90","","919.7","0.5","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H38 O2 -","- C18 H38 O2 -","- C36 H76 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0378","","","","0.1218","","","","","","0.999","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503179","5.058","0.003","7.219","0.004","27.746","0.002","90","","93.47","0.02","90","","1011.3","0.8","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H42 O2 -","- C20 H42 O2 -","- C40 H84 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0454","","","","0.159","","","","","","0.96","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503180","5.045","0.002","7.256","0.004","30.29","0.0015","90","","93.226","0.017","90","","1107.1","0.8","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H46 O2 -","- C22 H46 O2 -","- C44 H92 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0447","","","","0.1509","","","","","","0.97","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503181","5.036","0.003","7.25","0.004","32.833","0.0018","90","","92.94","0.02","90","","1197.2","1","296","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H50 O2 -","- C24 H50 O2 -","- C48 H100 O4 -","2","1","","Uno, Kenjiro; Ogawa, Yoshihiro; Nakamura, Naotake","Polymorphism of Long-Chain Alkane-α,ω-Diols with an Even Number of Carbon Atoms","Crystal Growth & Design","2008","8","2","592","","10.1021/cg700729q","","x-ray","1.54178","CuKα","","","0.0394","","","","0.1263","","","","","","0.998","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503182","15.045","0.004","18.036","0.005","20.979","0.005","90","","101.493","0.004","90","","5579","3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 Mg3 N4 O16 -","- C56 H40 Mg3 N4 O16 -","- C224 H160 Mg12 N16 O64 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.2103","0.0821","","","0.1859","0.2414","","","","","","0.945","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503183","13.1647","0.0013","17.861","0.002","21.044","0.002","90","","99.965","0.002","90","","4873.5","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Mg3 N4 O16 -","- C48 H46 Mg3 N4 O16 -","- C192 H184 Mg12 N16 O64 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.1067","0.0755","","","0.196","0.2165","","","","","","1.042","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503184","13.627","0.003","9.941","0.002","17.686","0.004","90","","92.732","0.004","90","","2393.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Mg2 N2 O10 -","- C22 H22 Mg2 N2 O10 -","- C88 H88 Mg8 N8 O40 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.122","0.112","","","0.196","0.2","","","","","","1.31","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503185","17.85","0.004","10.684","0.002","19.96","0.004","90","","95.16","0.003","90","","3791.1","1.3","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 Ca3 N2 O14 -","- C34 H34 Ca3 N2 O14 -","- C136 H136 Ca12 N8 O56 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0923","0.0829","","","0.1981","0.2026","","","","","","1.18","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503186","6.885","0.001","21.065","0.003","9.9679","0.0014","90","","90","","90","","1445.7","0.4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H13 Ca N O5 -","- C15 H13 Ca N O5 -","- C60 H52 Ca4 N4 O20 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0512","0.0408","","","0.105","0.11","","","","","","1.23","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503187","6.8739","0.0011","25.022","0.004","12.785","0.002","90","","90","","90","","2199","0.6","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H23 Ca N O5 -","- C23 H12 Ca N O5 -","- C92 H48 Ca4 N4 O20 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.1059","0.0874","","","0.2154","0.231","","","","","","1.102","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503188","6.953","0.001","24.355","0.002","9.958","0.001","90","","90","","90","","1686.3","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 Ca N O5 -","- C19 H17 Ca N O5 -","- C76 H68 Ca4 N4 O20 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0372","0.0323","","","0.0844","0.0875","","","","","","1.073","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503189","10.599","0.001","10.599","0.001","9.806","0.002","90","","90","","120","","954","0.2","150","2","150","2","","","","","","","","5","P 32","P 32","145","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","x-ray","0.71073","MoKα","","0.0245","0.0238","","","0.0593","0.0596","","","","","","1.05","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503190","12.1864","0.0014","6.897","0.0008","18.516","0.002","90","","90","","90","","1556.3","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H17 N O6 Sr -","- C13 H6 N O6 Sr -","- C52 H24 N4 O24 Sr4 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0502","0.0387","","","0.1066","0.1139","","","","","","1.087","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4503191","7.1452","0.0008","10.1443","0.0011","20.695","0.002","90","","90","","90","","1500","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 Sr -","- C15 H13 N O5 Sr -","- C60 H52 N4 O20 Sr4 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0348","0.03","","","0.075","0.077","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503192","7.5731","0.0012","10.5515","0.0016","25.875","0.004","90","","90","","90","","2067.6","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O5 Sr -","- C23 H23 N O5 Sr -","- C92 H92 N4 O20 Sr4 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0507","0.0356","","","0.0724","0.0938","","","","","","1.005","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503193","7.4222","0.0006","10.6097","0.0008","25.8161","0.0019","90","","90","","90","","2032.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O5 Sr -","- C23 H19 N O5 Sr -","- C92 H76 N4 O20 Sr4 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.04","0.0339","","","0.0763","0.0784","","","","","","1.019","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503194","7.296","0.001","23.907","0.002","10.018","0.001","90","","90","","90","","1747.4","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 N O5 Sr -","- C19 H18 N O5 Sr -","- C76 H72 N4 O20 Sr4 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0284","0.0256","","","0.0602","0.0614","","","","","","1.063","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503195","8.0774","0.0015","10.446","0.002","21.327","0.004","90","","90","","90","","1799.5","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16.13 H15.63 Ba N1.38 O5.38 -","- C15 H13 Ba N O5 -","- C60 H52 Ba4 N4 O20 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0852","0.081","","","0.188","0.193","","","","","","1.13","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503196","16.497","0.004","22.453","0.005","17.775","0.004","90","","113.642","0.003","90","","6031","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H144 N14 O53 P6 Zn9 -","- C90 H98 N14 O53 P6 Zn9 -","- C180 H196 N28 O106 P12 Zn18 -","2","0.5","","Guo, Ya-Qin; Yang, Bing-Ping; Song, Jun-Ling; Mao, Jiang-Gao","Zinc(II) Phosphonate Cage Compounds Derived from Zn6(Zn)L6Centered Octahedral Cores","Crystal Growth & Design","2008","8","2","600","","10.1021/cg700735m","","","0.71073","MoKα","","0.06","0.0483","","","0.1236","0.1321","","","","","","1.071","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503197","15.4907","0.0002","13.5514","0.0002","19.6047","0.0002","90","","92.834","0.001","90","","4110.4","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H110 N6 O52 P6 Zn9 -","- C42 H66 N6 O52 P6 Zn9 -","- C84 H132 N12 O104 P12 Zn18 -","2","0.5","","Guo, Ya-Qin; Yang, Bing-Ping; Song, Jun-Ling; Mao, Jiang-Gao","Zinc(II) Phosphonate Cage Compounds Derived from Zn6(Zn)L6Centered Octahedral Cores","Crystal Growth & Design","2008","8","2","600","","10.1021/cg700735m","","","0.71073","MoKα","","0.06","0.0445","","","0.1013","0.1119","","","","","","1.084","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503198","28","0.018","22.383","0.013","19.152","0.011","90","","103.003","0.013","90","","11695","12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H114 N10 O46 P6 Zn9 -","- C62 H82 N10 O46 P6 Zn9 -","- C248 H328 N40 O184 P24 Zn36 -","4","0.5","","Guo, Ya-Qin; Yang, Bing-Ping; Song, Jun-Ling; Mao, Jiang-Gao","Zinc(II) Phosphonate Cage Compounds Derived from Zn6(Zn)L6Centered Octahedral Cores","Crystal Growth & Design","2008","8","2","600","","10.1021/cg700735m","","","0.71073","MoKα","","0.1111","0.0908","","","0.2581","0.2803","","","","","","1.078","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503199","9.721","0.0003","11.7984","0.0005","16.0976","0.0007","85.561","0.002","75.929","0.002","68.078","0.002","1661.2","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Compound HA012","","","- C56 H52 Ag2 Mo8 N4 O26 P2 -","- C56 H52 Ag2 Mo8 N4 O26 P2 -","- C56 H52 Ag2 Mo8 N4 O26 P2 -","1","0.5","","Abbas, Hamera; Streb, Carsten; Pickering, Alexandra L.; Neil, Andrew R.; Long, De-Liang; Cronin, Leroy","Molecular Growth of Polyoxometalate Architectures Based on [−Ag{Mo8}Ag−] Synthons: Toward Designed Cluster Assemblies","Crystal Growth & Design","2008","8","2","635","","10.1021/cg700736v","","","0.71073","MoKα","","0.0893","0.045","","","0.0669","0.075","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503200","9.6535","0.0003","10.8471","0.0003","12.1151","0.0003","80.068","0.002","82.515","0.001","85.153","0.002","1236.44","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Compound HA009","","","- C26 H36 Ag4 Mo8 N8 O30 -","- C26 H36 Ag4 Mo8 N8 O30 -","- C26 H36 Ag4 Mo8 N8 O30 -","1","0.5","","Abbas, Hamera; Streb, Carsten; Pickering, Alexandra L.; Neil, Andrew R.; Long, De-Liang; Cronin, Leroy","Molecular Growth of Polyoxometalate Architectures Based on [−Ag{Mo8}Ag−] Synthons: Toward Designed Cluster Assemblies","Crystal Growth & Design","2008","8","2","635","","10.1021/cg700736v","","","0.71073","MoKα","","0.0283","0.0229","","","0.0538","0.0556","","","","","","1.081","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503201","10.0246","0.0007","10.5735","0.0007","11.8724","0.0006","85.711","0.004","65.494","0.004","69.821","0.003","1071.33","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Compound ha020","","","- C16 H44 Ag2 Mo8 N6 O30 -","- C16 H44 Ag2 Mo8 N6 O30 -","- C16 H44 Ag2 Mo8 N6 O30 -","1","0.5","","Abbas, Hamera; Streb, Carsten; Pickering, Alexandra L.; Neil, Andrew R.; Long, De-Liang; Cronin, Leroy","Molecular Growth of Polyoxometalate Architectures Based on [−Ag{Mo8}Ag−] Synthons: Toward Designed Cluster Assemblies","Crystal Growth & Design","2008","8","2","635","","10.1021/cg700736v","","","0.71073","MoKα","","0.0877","0.0425","","","0.0729","0.0828","","","","","","0.991","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503202","10.1101","0.0002","11.4232","0.0003","11.5474","0.0003","63.312","0.001","76.6","0.002","88.951","0.001","1153.43","0.05","","","","","","","","","","","","5","P -1","-P 1","2","Compound AN16","","","- C18 Ag4 Mo8 N6 O32 -","- C18 Ag4 Mo8 N6 O32 -","- C18 Ag4 Mo8 N6 O32 -","1","0.5","","Abbas, Hamera; Streb, Carsten; Pickering, Alexandra L.; Neil, Andrew R.; Long, De-Liang; Cronin, Leroy","Molecular Growth of Polyoxometalate Architectures Based on [−Ag{Mo8}Ag−] Synthons: Toward Designed Cluster Assemblies","Crystal Growth & Design","2008","8","2","635","","10.1021/cg700736v","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503203","10.1101","0.0002","11.4232","0.0003","11.5474","0.0003","63.312","0.001","76.6","0.002","88.951","0.001","1153.43","0.05","","","","","","","","","","","","3","P -1","-P 1","2","Compound AN16","","","- Ag4 Mo8 O32 -","- Ag4 Mo8 O32 -","- Ag4 Mo8 O32 -","1","0.5","","Abbas, Hamera; Streb, Carsten; Pickering, Alexandra L.; Neil, Andrew R.; Long, De-Liang; Cronin, Leroy","Molecular Growth of Polyoxometalate Architectures Based on [−Ag{Mo8}Ag−] Synthons: Toward Designed Cluster Assemblies","Crystal Growth & Design","2008","8","2","635","","10.1021/cg700736v","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503204","10.426","0.002","14.962","0.003","21.102","0.004","100.01","0.03","93.54","0.03","106.9","0.03","3079.6","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H47 Cl0 Li0 Mn1.5 N4 O21 Zn3 -","- C64 H47 Mn1.5 N4 O21 Zn3 -","- C128 H94 Mn3 N8 O42 Zn6 -","2","1","","Ren, Peng; Shi, Wei; Cheng, Peng","Synthesis and Characterization of Three-Dimensional 3d−3d and 3d−4f Heterometallic Coordination Polymers with High Thermal Stability","Crystal Growth & Design","2008","8","4","1097","","10.1021/cg700740m","","","0.71073","MoKα","","0.1153","0.0687","","","0.1487","0.1824","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503205","10.4903","0.0013","18.331","0.002","22.282","0.003","90","","92.231","0.002","90","","4281.5","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 N2 O17 Pr Zn2 -","- C44 H31 N2 O17 Pr Zn2 -","- C176 H124 N8 O68 Pr4 Zn8 -","4","1","","Ren, Peng; Shi, Wei; Cheng, Peng","Synthesis and Characterization of Three-Dimensional 3d−3d and 3d−4f Heterometallic Coordination Polymers with High Thermal Stability","Crystal Growth & Design","2008","8","4","1097","","10.1021/cg700740m","","","0.71073","MoKα","","0.0764","0.0393","","","0.0729","0.0857","","","","","","1.003","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503206","5.5346","0.0001","7.4562","0.0001","8.8342","0.0001","90","","90.897","0.001","90","","364.517","0.009","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba2 Mo4 O18 Te2 -","2","1","","Zhang, Weiguo; Tao, Xutang; Zhang, Chengqian; Gao, Zeliang; Zhang, Yongzhuan; Yu, Wentao; Cheng, Xiufeng; Liu, Xuesong; Jiang, Minhua","Bulk Growth and Characterization of a Novel Nonlinear Optical Crystal BaTeMo2O9","Crystal Growth & Design","2008","8","1","304","","10.1021/cg700755p","","","0.71073","MoKα","","0.0163","0.0162","","","0.036","0.0361","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503207","14.178","0.003","10.118","0.002","20.936","0.004","90","","99.79","0.03","90","","2959.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H116 Co6 N24 O34 -","- C120 H104 Co6 N24 O34 -","- C120 H104 Co6 N24 O34 -","1","0.25","","Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin","Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2008","8","2","606","","10.1021/cg700758c","","","0.71073","MoKα","","0.1009","0.0527","","","0.1125","0.1304","","","","","","1.024","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503208","8.7582","0.0018","8.8731","0.0018","10.21","0.002","95.59","0.03","100.37","0.03","102.6","0.03","753.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N2 O7 Zn -","- C14 H13 N2 O7 Zn -","- C28 H26 N4 O14 Zn2 -","2","1","","Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin","Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2008","8","2","606","","10.1021/cg700758c","","x-ray","0.71073","MoKα","","0.029","0.0271","","","0.0788","0.0799","","","","","","1.105","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503209","8.2544","0.0017","10.044","0.002","12.819","0.003","96.61","0.03","102.07","0.03","90.54","0.03","1031.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Co N4 O6 -","- C21 H22 Co N4 O6 -","- C42 H44 Co2 N8 O12 -","2","1","","Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin","Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2008","8","2","606","","10.1021/cg700758c","","","0.71073","MoKα","","0.0628","0.044","","","0.0974","0.1062","","","","","","1.016","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503210","10.452","0.002","18.951","0.004","10.55","0.002","90","","103.78","0.03","90","","2029.6","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","","Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin","Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2008","8","2","606","","10.1021/cg700758c","","","0.71073","MoKα","","0.0297","0.0282","","","0.0688","0.0696","","","","","","1.042","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503211","15.389","0.003","9.4636","0.0019","12.728","0.003","90","","104.98","0.03","90","","1790.7","0.7","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N8 Ni2 O8 -","- C36 H36 N8 Ni2 O8 -","- C72 H72 N16 Ni4 O16 -","2","0.25","","Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin","Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2008","8","2","606","","10.1021/cg700758c","","x-ray","0.71073","MoKα","","0.0302","0.0263","","","0.0657","0.0677","","","","","","1.036","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503212","11.409","0.002","10.998","0.002","17.116","0.006","90","","112.34","0.02","90","","1986.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Co N4 O4 -","- C20 H22 Co N4 O4 -","- C80 H88 Co4 N16 O16 -","4","1","","Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin","Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2008","8","2","606","","10.1021/cg700758c","","","0.71073","MoKα","","0.0713","0.0483","","","0.1178","0.1306","","","","","","1.038","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503213","14.178","0.003","10.118","0.002","20.936","0.004","90","","99.79","0.03","90","","2959.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H58 Co3 N12 O17 -","- C60 H52 Co3 N12 O17 -","- C120 H104 Co6 N24 O34 -","2","0.5","","Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin","Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2008","8","2","606","","10.1021/cg700758c","","","0.71073","MoKα","","0.1015","0.0533","","","0.1139","0.132","","","","","","1.026","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503214","5.8731","0.0017","16.762","0.005","12.554","0.004","90","","93.499","0.009","90","","1233.6","0.6","299","2","299","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","","Barsky, Inna; Bernstein, Joel; Stephens, Peter W.; Stone, Kevin H.; Cheung, Eugene; Hickey, Magali B.; Henck, Jan-Olav","Disappearing and Reappearing Polymorphism inp-Methylchalcone","Crystal Growth & Design","2008","8","1","63","","10.1021/cg7007733","","","0.71073","MoKα","","0.0688","0.0439","","","0.1147","0.1297","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503215","26.2365","0.0009","5.8236","0.0002","15.5412","0.0005","90","","101.807","0.001","90","","2324.31","0.14","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O -","- C16 H14 O -","- C128 H112 O8 -","8","1","","Barsky, Inna; Bernstein, Joel; Stephens, Peter W.; Stone, Kevin H.; Cheung, Eugene; Hickey, Magali B.; Henck, Jan-Olav","Disappearing and Reappearing Polymorphism inp-Methylchalcone","Crystal Growth & Design","2008","8","1","63","","10.1021/cg7007733","","","0.71069","MoKα","","0.0414","0.0331","","","0.0856","0.0922","","","","","","1.01","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503216","9.5205","0.0005","15.55","0.0008","16.7196","0.001","90","","94.493","0.004","90","","2467.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 Pd -","- C20 H16 N2 O2 Pd -","- C120 H96 N12 O12 Pd6 -","6","1.5","","Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun","The Aggregations and Strong Emissions of d8 and d10 Metal–8-Hydroxyquinaldine Complexes","Crystal Growth & Design","2008","8","8","2721","2728","10.1021/cg700785h","","","0.71073","MoKα","","0.0448","0.0406","","","0.0817","0.0844","","","","","","1.204","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503217","14.638","0.0009","7.605","0.0005","17.2027","0.0013","90","","90","","90","","1915","0.2","173","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Ag N3 O5 -","- C20 H18 Ag N3 O5 -","- C80 H72 Ag4 N12 O20 -","4","0.5","","Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun","The Aggregations and Strong Emissions of d8 and d10 Metal‒8-Hydroxyquinaldine Complexes","Crystal Growth & Design","2008","8","8","2721","2728","10.1021/cg700785h","","","0.71073","MoKα","","0.0412","0.0381","","","0.0947","0.0966","","","","","","1.214","","","","has coordinates","211131","2020-10-21","18:00:00",""
"4503218","8.1581","0.0003","10.921","0.0003","20.0729","0.001","83.059","0.006","87.463","0.007","73.672","0.007","1703.58","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Ag N2 O2 -","- C20 H17 Ag N2 O2 -","- C80 H68 Ag4 N8 O8 -","4","2","","Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun","The Aggregations and Strong Emissions of d8 and d10 Metal‒8-Hydroxyquinaldine Complexes","Crystal Growth & Design","2008","8","8","2721","2728","10.1021/cg700785h","","","0.71073","MoKα","","0.0435","0.0322","","","0.0848","0.0932","","","","","","1.044","","","","has coordinates","211131","2020-10-21","18:00:00",""
"4503219","7.033","0.0006","8.1804","0.0008","10.1362","0.001","87.805","0.01","88.231","0.008","89.157","0.009","582.4","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl4 N2 O4 Pd -","- C20 H24 Cl4 N2 O4 Pd -","- C20 H24 Cl4 N2 O4 Pd -","1","0.5","","Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun","The Aggregations and Strong Emissions of d8 and d10 Metal‒8-Hydroxyquinaldine Complexes","Crystal Growth & Design","2008","8","8","2721","2728","10.1021/cg700785h","","","0.71073","MoKα","","0.0365","0.0306","","","0.061","0.0641","","","","","","1.087","","","","has coordinates","211131","2020-10-21","18:00:00",""
"4503220","10.9724","0.0005","9.1655","0.0005","29.1477","0.0015","90","","90","","90","","2931.3","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl N O Pt S -","- C14 H16 Cl N O Pt S -","- C112 H128 Cl8 N8 O8 Pt8 S8 -","8","1","","Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun","The Aggregations and Strong Emissions of d8 and d10 Metal‒8-Hydroxyquinaldine Complexes","Crystal Growth & Design","2008","8","8","2721","2728","10.1021/cg700785h","","","0.71073","MoKα","","0.0431","0.0355","","","0.0737","0.0772","","","","","","1.078","","","","has coordinates","211131","2020-10-21","18:00:00",""
"4503221","8.7086","0.0017","9.99","0.002","11.409","0.002","99.45","0.03","105.88","0.03","101.96","0.03","907.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[aquodichloro(pyrazino[2,3-f][1,10]phenanthroline-2,3-diamide) copper(II)] hydrate","","- C16 H14 Cl2 Cu N6 O4 -","- C16 H14 Cl2 Cu N6 O4 -","- C32 H28 Cl4 Cu2 N12 O8 -","2","1","","Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.","New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites","Crystal Growth & Design","2008","8","2","643","","10.1021/cg700820d","","","0.71073","MoKα","","0.0786","0.0604","","","0.1579","0.171","","","","","","1.036","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503222","9.4572","0.0019","10.011","0.002","11.879","0.002","103.24","0.03","97.97","0.03","107.36","0.03","1018.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[aquodibromo(pyrazino[2,3-f][1,10]phenanthroline-2,3-diamide) copper(II)] hydrate","","- C16 H16 Br2 Cu N6 O5 -","- C16 H16 Br2 Cu N6 O5 -","- C32 H32 Br4 Cu2 N12 O10 -","2","1","","Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.","New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites","Crystal Growth & Design","2008","8","2","643","","10.1021/cg700820d","","","0.71073","MoKα","","0.028","0.0242","","","0.0655","0.0679","","","","","","1.041","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503223","8.8005","0.0005","9.333","0.0005","9.937","0.0006","80.104","0.004","80.399","0.003","84.103","0.003","790.46","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[trichloro(1H,3H-imidazol[2,3-f][1,10]phenanthroline) copper(II)] hydrate","","- C13 H13 Cl3 Cu N4 O2 -","- C13 H13 Cl3 Cu N4 O2 -","- C26 H26 Cl6 Cu2 N8 O4 -","2","1","","Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.","New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites","Crystal Growth & Design","2008","8","2","643","","10.1021/cg700820d","","","0.71073","MoKα","","0.0655","0.0427","","","0.1187","0.1276","","","","","","1.082","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503224","7.0604","0.0008","11.1943","0.0012","15.5157","0.0016","100.739","0.002","93.515","0.002","108.297","0.002","1134.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[bis{2,2'-bipyridine-4,4'-diol}copper(II)] nitrate hydrate","","- C20 H18 Cu N6 O11 -","- C20 H18 Cu N6 O11 -","- C40 H36 Cu2 N12 O22 -","2","1","","Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.","New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites","Crystal Growth & Design","2008","8","2","643","","10.1021/cg700820d","","","0.8464","synchrotron","","0.0714","0.0575","","","0.1431","0.1545","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503225","14.744","0.0012","8.951","0.0007","10.0648","0.0008","90","","90","","90","","1328.29","0.18","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[{2,2'-bipyridine-4,4'-diamine}di(nitro)copper(II)]","","- C10 H10 Cu N6 O6 -","- C10 H10 Cu N6 O6 -","- C40 H40 Cu4 N24 O24 -","4","0.5","","Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.","New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites","Crystal Growth & Design","2008","8","2","643","","10.1021/cg700820d","","","0.8464","synchrotron","","0.0506","0.0389","","","0.0939","0.0998","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503226","8.7895","0.0002","19.1727","0.0004","7.1261","0.0002","90","","108.832","0.001","90","","1136.6","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{2,2'-bipyridine-4,4'-diammine}dichlorocopper(II)]","","- C10 H10 Cl2 Cu N4 -","- C10 H10 Cl2 Cu N4 -","- C40 H40 Cl8 Cu4 N16 -","4","1","","Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.","New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites","Crystal Growth & Design","2008","8","2","643","","10.1021/cg700820d","","","0.71073","MoKα","","0.0656","0.06","","","0.1563","0.1631","","","","","","1.042","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503227","8.4512","0.0017","22.888","0.005","7.1305","0.0014","90","","110.54","0.03","90","","1291.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[{2,2'-bipyridine-5,5'-bis(hydroxymethyl)}dichlorocopper(II)]","","- C12 H12 Cl2 Cu N2 O2 -","- C12 H12 Cl2 Cu N2 O2 -","- C48 H48 Cl8 Cu4 N8 O8 -","4","1","","Stephenson, Maria D.; Prior, Timothy J.; Hardie, Michaele J.","New Network Structures from Cu(II) Complexes of Chelating Ligands with Appended Hydrogen Bonding Sites","Crystal Growth & Design","2008","8","2","643","","10.1021/cg700820d","","","0.71073","MoKα","","0.0698","0.0556","","","0.1359","0.1466","","","","","","1.042","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503228","10.9","0.005","12.738","0.005","12.821","0.005","104.64","0.05","114.11","0.05","94.68","0.05","1537.3","1.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 Ca N O16 -","- C27 H31 Ca N O16 -","- C54 H62 Ca2 N2 O32 -","2","1","","Neogi, Subhadip; Navarro, Jorge A. R.; Bharadwaj, Parimal K.","Variation of Structures of Coordination Polymers of Ca(II), Sr(II), and Ba(II) with a Tripodal Ligand: Synthesis, Structural, and Gas Adsorption Studies","Crystal Growth & Design","2008","8","5","1554","","10.1021/cg700822y","","","0.71069","MoKα","","0.1149","0.0729","","","0.1532","0.2068","","","","","","1.117","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503229","11.329","0.005","12.372","0.005","13.34","0.004","110.228","0.005","94.941","0.004","103.332","0.005","1678.8","1.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H43 N O18 Sr -","- C27 H40 N O18 Sr -","- C54 H80 N2 O36 Sr2 -","2","1","","Neogi, Subhadip; Navarro, Jorge A. R.; Bharadwaj, Parimal K.","Variation of Structures of Coordination Polymers of Ca(II), Sr(II), and Ba(II) with a Tripodal Ligand: Synthesis, Structural, and Gas Adsorption Studies","Crystal Growth & Design","2008","8","5","1554","","10.1021/cg700822y","","","0.71069","MoKα","","0.0697","0.0453","","","0.1043","0.1143","","","","","","1.026","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503230","10.053","0.005","11.411","0.004","13.223","0.005","67.482","0.003","80.635","0.005","86.437","0.005","1382.6","1","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Ba N O12 -","- C27 H24 Ba N O12 -","- C54 H48 Ba2 N2 O24 -","2","1","","Neogi, Subhadip; Navarro, Jorge A. R.; Bharadwaj, Parimal K.","Variation of Structures of Coordination Polymers of Ca(II), Sr(II), and Ba(II) with a Tripodal Ligand: Synthesis, Structural, and Gas Adsorption Studies","Crystal Growth & Design","2008","8","5","1554","","10.1021/cg700822y","","","0.71069","MoKα","","0.1426","0.093","","","0.1743","0.2187","","","","","","1.321","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503231","8.2239","0.0006","8.8594","0.0002","22.2723","0.0015","90","","90","","90","","1622.73","0.17","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","van Eupen, J. Th. H.; Elffrink, W. W. J.; Keltjens, R.; Bennema, P.; de Gelder, R.; Smits, J. M. M.; van Eck, E. R. H.; Kentgens, A. P. M.; Deij, M. A.; Meekes, H.; Vlieg, E.","Polymorphism and Migratory Chiral Resolution of the Free Base of Venlafaxine. A Remarkable Topotactical Solid State Transition from a Racemate to a Racemic Conglomerate","Crystal Growth & Design","2008","8","1","71","","10.1021/cg700831z","","","0.71073","MoKα","","0.0725","0.0503","","0.1074","0.0987","0.1074","","","1.077","","","1.077","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503232","8.8397","0.0005","8.2699","0.0008","43.754","0.005","90","","90.971","0.006","90","","3198.1","0.5","208","2","208","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C136 H216 N8 O16 -","8","2","","van Eupen, J. Th. H.; Elffrink, W. W. J.; Keltjens, R.; Bennema, P.; de Gelder, R.; Smits, J. M. M.; van Eck, E. R. H.; Kentgens, A. P. M.; Deij, M. A.; Meekes, H.; Vlieg, E.","Polymorphism and Migratory Chiral Resolution of the Free Base of Venlafaxine. A Remarkable Topotactical Solid State Transition from a Racemate to a Racemic Conglomerate","Crystal Growth & Design","2008","8","1","71","","10.1021/cg700831z","","","0.71073","MoKα","","0.0947","0.0571","","0.1164","0.1051","0.1164","","","1.055","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503233","8.1461","0.001","8.803","0.0006","22.3022","0.0019","90","","90","","90","","1599.3","0.3","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","van Eupen, J. Th. H.; Elffrink, W. W. J.; Keltjens, R.; Bennema, P.; de Gelder, R.; Smits, J. M. M.; van Eck, E. R. H.; Kentgens, A. P. M.; Deij, M. A.; Meekes, H.; Vlieg, E.","Polymorphism and Migratory Chiral Resolution of the Free Base of Venlafaxine. A Remarkable Topotactical Solid State Transition from a Racemate to a Racemic Conglomerate","Crystal Growth & Design","2008","8","1","71","","10.1021/cg700831z","","","0.71073","MoKα","","0.1255","0.0682","","0.1377","0.1196","0.1377","","","1.108","","","1.108","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503234","8.2305","0.0005","8.872","0.0005","22.329","0.003","90","","90","","90","","1630.5","0.3","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","van Eupen, J. Th. H.; Elffrink, W. W. J.; Keltjens, R.; Bennema, P.; de Gelder, R.; Smits, J. M. M.; van Eck, E. R. H.; Kentgens, A. P. M.; Deij, M. A.; Meekes, H.; Vlieg, E.","Polymorphism and Migratory Chiral Resolution of the Free Base of Venlafaxine. A Remarkable Topotactical Solid State Transition from a Racemate to a Racemic Conglomerate","Crystal Growth & Design","2008","8","1","71","","10.1021/cg700831z","","","0.71073","MoKα","","0.0567","0.0452","","0.1052","0.0987","0.1052","","","1.081","","","1.081","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503235","8.3248","0.0003","8.824","0.0004","21.6121","0.0011","90","","92.217","0.004","90","","1586.39","0.12","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","van Eupen, J. Th. H.; Elffrink, W. W. J.; Keltjens, R.; Bennema, P.; de Gelder, R.; Smits, J. M. M.; van Eck, E. R. H.; Kentgens, A. P. M.; Deij, M. A.; Meekes, H.; Vlieg, E.","Polymorphism and Migratory Chiral Resolution of the Free Base of Venlafaxine. A Remarkable Topotactical Solid State Transition from a Racemate to a Racemic Conglomerate","Crystal Growth & Design","2008","8","1","71","","10.1021/cg700831z","","","0.71073","MoKα","","0.059","0.0457","","0.1101","0.1023","0.1101","","","1.073","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503236","10.1636","0.0002","11.7839","0.0003","13.1905","0.0003","64.02","0.01","89.97","0.01","87.46","0.01","1418.43","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Terbutaline sulfate monohydrate","bis-[1-(3,3-dihydroxyphenyl)-2-tert-butylaminoethanol] sulfate monohydrate","","- C24 H42 N2 O11 S -","- C24 H42 N2 O11 S -","- C48 H84 N4 O22 S2 -","2","1","","Harris, Robin K.; Hodgkinson, Paul; Larsson, Tomas; Muruganantham, Amsaveni; Ymén, Ingvar; Yufit, Dmitry S.; Zorin, Vadim","Characterization of Polymorphs and Solvates of Terbutaline Sulfate","Crystal Growth & Design","2008","8","1","80","","10.1021/cg700840j","","","0.71073","Mo-Kα","","0.0562","0.037","","","0.0935","0.103","","","","","","0.955","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503237","10.9566","0.0004","11.7848","0.0004","13.6136","0.0004","105.356","0.001","108.836","0.001","106.107","0.001","1471.97","0.09","121","2","121","2","","","","","","","","5","P -1","-P 1","2","Terbutaline sulfate 2.5 hydrate","bis-[1-(3,3-dihydroxyphenyl)-2-tert-butylaminoethanol] sulfate 2.5 hydrate","","- C24 H45 N2 O12.5 S -","- C24 H45 N2 O12.5 S -","- C48 H90 N4 O25 S2 -","2","1","","Harris, Robin K.; Hodgkinson, Paul; Larsson, Tomas; Muruganantham, Amsaveni; Ymén, Ingvar; Yufit, Dmitry S.; Zorin, Vadim","Characterization of Polymorphs and Solvates of Terbutaline Sulfate","Crystal Growth & Design","2008","8","1","80","","10.1021/cg700840j","","","0.71073","Mo-Kα","","0.053","0.048","","","0.1264","0.1296","","","","","","1.071","","","","has coordinates,has disorder","301842","2025-08-21","00:37:12",""
"4503238","10.3344","0.0012","16.9073","0.0019","17.618","0.002","90","","105.194","0.006","90","","2970.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C6F3I3, PPh4Br","1,3,5-trifluoro-2,4,6-triiodobenzene, tetraphenylphosphonium bromide","","- C30 H20 Br F3 I3 P -","- C30 H20 Br F3 I3 P -","- C120 H80 Br4 F12 I12 P4 -","4","1","","Triguero, Sonia; Llusar, Rosa; Polo, Victor; Fourmigué, Marc","Halogen Bonding Interactions ofsym-Triiodotrifluorobenzene with Halide Anions: A Combined Structural and Theoretical Study","Crystal Growth & Design","2008","8","7","2241","","10.1021/cg7008489","","x-ray","0.71073","MoKα","","0.0326","0.0241","","","0.0591","0.0696","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503239","10.153","0.002","17.118","0.003","17.657","0.004","90","","105.26","0.03","90","","2960.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","C6F3I3, PPh4Cl, 0.5 H2O","1,3,5-trifluoro-2,4,6-triiodobenzene, tetraphenylphosphonium chloride, hemi water solvate","","- C30 H21 Cl F3 I3 O0.5 P -","- C30 H20 Cl F3 I3 O0.487 P -","- C120 H80 Cl4 F12 I12 O1.948 P4 -","4","1","","Triguero, Sonia; Llusar, Rosa; Polo, Victor; Fourmigué, Marc","Halogen Bonding Interactions ofsym-Triiodotrifluorobenzene with Halide Anions: A Combined Structural and Theoretical Study","Crystal Growth & Design","2008","8","7","2241","","10.1021/cg7008489","","x-ray","0.71073","MoKα","","0.0244","0.022","","","0.0567","0.0584","","","","","","0.905","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503240","10.98","0.0005","12.627","0.0006","20.8445","0.0009","90","","94.262","0.001","90","","2882","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","C6F3I3,Bu4NBr","1,3,5-trifluoro-2,4,6-triiodobenzene,tetrabutylammonium bromide","","- C22 H36 Br F3 I3 N -","- C22 H36 Br F3 I3 N -","- C88 H144 Br4 F12 I12 N4 -","4","1","","Triguero, Sonia; Llusar, Rosa; Polo, Victor; Fourmigué, Marc","Halogen Bonding Interactions ofsym-Triiodotrifluorobenzene with Halide Anions: A Combined Structural and Theoretical Study","Crystal Growth & Design","2008","8","7","2241","","10.1021/cg7008489","","x-ray","0.71073","MoKα","","0.0443","0.0373","","","0.1065","0.1132","","","","","","0.998","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503241","11.6713","0.0005","12.0414","0.0006","20.2722","0.0009","90","","93.8338","0.001","90","","2842.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3,5-trifluoro-2,4,6-triiodobenzene, tetrabutylammonium chloride'","","- C22 H36 Cl F3 I3 N -","- C22 H36 Cl F3 I3 N -","- C88 H144 Cl4 F12 I12 N4 -","4","1","","Triguero, Sonia; Llusar, Rosa; Polo, Victor; Fourmigué, Marc","Halogen Bonding Interactions ofsym-Triiodotrifluorobenzene with Halide Anions: A Combined Structural and Theoretical Study","Crystal Growth & Design","2008","8","7","2241","","10.1021/cg7008489","","","0.71073","MoKα","","0.0444","0.0308","","","0.0668","0.0719","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503242","9.0114","0.0009","13.8878","0.0015","12.4264","0.0013","90","","106.442","0.002","90","","1491.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C56 H64 N24 O8 -","4","1","","Manzano, Blanca R.; Jalón, Félix A.; Soriano, M. Laura; Rodríguez, Ana M.; Hoz, Antonio de la; Sánchez-Migallón, Ana","Multiple Hydrogen Bonds in the Self-Assembly of Aminotriazine and Glutarimide. Decisive Role of the Triazine Substituents","Crystal Growth & Design","2008","8","5","1585","","10.1021/cg7008682","","","0.71073","MoKα","","0.0707","0.0476","","","0.1165","0.1285","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503243","10.676","0.0009","14.958","0.001","16.073","0.001","112.596","0.004","102.455","0.005","93.961","0.004","2280.8","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N6 O2 -","- C15 H18 N6 O2 -","- C90 H108 N36 O12 -","6","3","","Manzano, Blanca R.; Jalón, Félix A.; Soriano, M. Laura; Rodríguez, Ana M.; Hoz, Antonio de la; Sánchez-Migallón, Ana","Multiple Hydrogen Bonds in the Self-Assembly of Aminotriazine and Glutarimide. Decisive Role of the Triazine Substituents","Crystal Growth & Design","2008","8","5","1585","","10.1021/cg7008682","","","0.71069","MoKα","","0.1196","0.0691","","","0.1634","0.197","","","","","","0.972","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503244","12.441","0.007","7.59","0.004","12.84","0.007","90","","101.456","0.009","90","","1188.3","1.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H35 N13 O2 -","- C21 H35 N13 O2 -","- C42 H70 N26 O4 -","2","1","","Manzano, Blanca R.; Jalón, Félix A.; Soriano, M. Laura; Rodríguez, Ana M.; Hoz, Antonio de la; Sánchez-Migallón, Ana","Multiple Hydrogen Bonds in the Self-Assembly of Aminotriazine and Glutarimide. Decisive Role of the Triazine Substituents","Crystal Growth & Design","2008","8","5","1585","","10.1021/cg7008682","","","0.71069","MoKα","","0.1818","0.1255","","","0.296","0.3627","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503245","14.246","0.002","11.5917","0.0017","15.81","0.002","90","","111.28","0.02","90","","2432.8","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 F16 I4 N6 -","- C40 H36 F16 I4 N6 -","- C80 H72 F32 I8 N12 -","2","0.5","","Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Proserpio, Davide M.; Resnati, Giuseppe","Dendrimeric Tectons in Halogen Bonding-Based Crystal Engineering","Crystal Growth & Design","2008","8","2","654","","10.1021/cg700870t","","","0.71073","MoKα","","0.0553","0.032","","","0.0893","0.0948","","","","","","0.962","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503246","8.6941","0.0014","11.932","0.0018","32.228","0.005","90","","91.43","0.03","90","","3342.2","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H56 F16 I4 N10 -","- C64 H56 F16 I4 N10 -","- C128 H112 F32 I8 N20 -","2","0.5","","Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Proserpio, Davide M.; Resnati, Giuseppe","Dendrimeric Tectons in Halogen Bonding-Based Crystal Engineering","Crystal Growth & Design","2008","8","2","654","","10.1021/cg700870t","","","0.71073","MoKα","","0.0596","0.0418","","","0.1043","0.1109","","","","","","0.956","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503247","6.15","0.003","8.276","0.004","21.434","0.01","90","","94.388","0.009","90","","1087.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 N O6 -","- C10 H18 N O4 -","- C40 H72 N4 O16 -","4","1","","Wenger, Mazal; Bernstein, Joel","An Alternate Crystal Form of Gabapentin: A Cocrystal with Oxalic Acid","Crystal Growth & Design","2008","8","5","1595","","10.1021/cg7008732","","","0.71073","MoKα","","0.0743","0.0474","","","0.1169","0.1331","","","","","","0.977","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503248","10.9115","0.0015","10.9115","0.0015","23.638","0.005","90","","90","","90","","2814.4","0.8","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C18 H36 Cu3 N3 S4 W -","- C18 H36 Cu3 N3 S4 W -","- C72 H144 Cu12 N12 S16 W4 -","4","0.5","","Zhang, Jinfang; Song, Yinglin; Yang, Junyi; Humphrey, Mark G.; Zhang, Chi","A Single-Bridge Strategy for Synthesis of a 3-D Heterobimetallic Cluster with a Heavily Distorted Diamondoid Topology and Enhanced Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2008","8","2","387","","10.1021/cg700877n","","","0.71073","MoKα","","0.1274","0.0641","","","0.122","0.1516","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503249","14.12","0.002","14.443","0.002","15.428","0.002","64.468","0.002","79.16","0.002","79.482","0.002","2770.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Cl6 Mn2 N16 O12 -","- C44 H44 Cl6 Mn2 N16 O12 -","- C88 H88 Cl12 Mn4 N32 O24 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","A New Polycatenated 3D Array of Interlaced 2D Brickwall Layers and 1D Molecular Ladders in [Mn2(bix)3(NO3)4]·2CHCl3[bix = 1,4-bis(imidazol-1-ylmethyl)benzene] That Undergoes Supramolecular Isomerization upon Guest Removal","Crystal Growth & Design","2008","8","1","162","","10.1021/cg700884q","","","0.71073","MoKα","","0.2511","0.0948","","0.3342","0.251","","","","0.957","","","","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4503250","9.8134","0.0009","10.3112","0.0009","12.1302","0.0011","98.598","0.001","100.951","0.001","94.878","0.001","1183.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Mn N8 O6 -","- C21 H21 Mn N8 O6 -","- C42 H42 Mn2 N16 O12 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","A New Polycatenated 3D Array of Interlaced 2D Brickwall Layers and 1D Molecular Ladders in [Mn2(bix)3(NO3)4]·2CHCl3[bix = 1,4-bis(imidazol-1-ylmethyl)benzene] That Undergoes Supramolecular Isomerization upon Guest Removal","Crystal Growth & Design","2008","8","1","162","","10.1021/cg700884q","","","0.71073","MoKα","","0.0995","0.0488","","0.1011","0.0846","","","","1.005","","","","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503251","9.634","0.003","10.025","0.003","15.868","0.004","105.611","0.003","101.059","0.003","90.899","0.003","1444.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Mn N10 O6 -","- C28 H28 Mn N10 O6 -","- C56 H56 Mn2 N20 O12 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","A New Polycatenated 3D Array of Interlaced 2D Brickwall Layers and 1D Molecular Ladders in [Mn2(bix)3(NO3)4]·2CHCl3[bix = 1,4-bis(imidazol-1-ylmethyl)benzene] That Undergoes Supramolecular Isomerization upon Guest Removal","Crystal Growth & Design","2008","8","1","162","","10.1021/cg700884q","","","0.71073","MoKα","","0.2289","0.0685","","0.1815","0.1287","","","","0.924","","","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4503252","9.343","0.003","9.544","0.004","11.305","0.004","109.344","0.006","96.262","0.006","91.636","0.006","943.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Cd N14 O2 S2 -","- C34 H40 Cd N14 O2 S2 -","- C34 H40 Cd N14 O2 S2 -","1","0.5","","Chu, Zhao-Lian; Zhu, Hai-Bin; Hu, Da-Hua; Huang, Wei; Gou, Shao-Hua","1D Looped Chain, 1D Tube-like Chain, and 3D Inorganic‒Organic Hybrid Coordination Polymers Assembled from 1,6-Di(triazole-1-yl-methyl)-4-R-phenol and Cadmium(II) Thiocyanate","Crystal Growth & Design","2008","8","5","1599","","10.1021/cg700892z","","","0.71073","MoKα","","0.0481","0.0459","","","0.1153","0.1168","","","","","","1.068","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503253","5.929","0.004","13.332","0.009","13.364","0.009","91.8","0.012","94.277","0.013","101.147","0.011","1032.4","1.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cd N8 O2 S2 -","- C16 H18 Cd N8 O2 S2 -","- C32 H36 Cd2 N16 O4 S4 -","2","1","","Chu, Zhao-Lian; Zhu, Hai-Bin; Hu, Da-Hua; Huang, Wei; Gou, Shao-Hua","1D Looped Chain, 1D Tube-like Chain, and 3D Inorganic‒Organic Hybrid Coordination Polymers Assembled from 1,6-Di(triazole-1-yl-methyl)-4-R-phenol and Cadmium(II) Thiocyanate","Crystal Growth & Design","2008","8","5","1599","","10.1021/cg700892z","","","0.71073","MoKα","","0.0685","0.0521","","","0.1177","0.1239","","","","","","0.946","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503254","5.9697","0.0004","13.1004","0.0008","13.2752","0.0008","93.244","0.001","94.113","0.001","100.351","0.001","1016.11","0.11","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H15 Cd Cl N8 O2 S2 -","- C15 H15 Cd Cl N8 O2 S2 -","- C30 H30 Cd2 Cl2 N16 O4 S4 -","2","1","","Chu, Zhao-Lian; Zhu, Hai-Bin; Hu, Da-Hua; Huang, Wei; Gou, Shao-Hua","1D Looped Chain, 1D Tube-like Chain, and 3D Inorganic‒Organic Hybrid Coordination Polymers Assembled from 1,6-Di(triazole-1-yl-methyl)-4-R-phenol and Cadmium(II) Thiocyanate","Crystal Growth & Design","2008","8","5","1599","","10.1021/cg700892z","","","0.71073","MoKα","","0.0299","0.0247","","","0.0528","0.0545","","","","","","0.95","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503255","25.979","0.002","8.351","0.0007","17.1031","0.0014","90","","90","","90","","3710.5","0.5","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H11 Cd Cl N8 O S2 -","- C14 H11 Cd Cl N8 O S2 -","- C112 H88 Cd8 Cl8 N64 O8 S16 -","8","1","","Chu, Zhao-Lian; Zhu, Hai-Bin; Hu, Da-Hua; Huang, Wei; Gou, Shao-Hua","1D Looped Chain, 1D Tube-like Chain, and 3D Inorganic‒Organic Hybrid Coordination Polymers Assembled from 1,6-Di(triazole-1-yl-methyl)-4-R-phenol and Cadmium(II) Thiocyanate","Crystal Growth & Design","2008","8","5","1599","","10.1021/cg700892z","","","0.71073","MoKα","","0.0407","0.0313","","","0.0698","0.0734","","","","","","1.006","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503256","15.161","0.003","6.4431","0.0013","7.1366","0.0014","90","","91.87","0.03","90","","696.8","0.2","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H12 Cd O5 -","- C16 H12 Cd O5 -","- C32 H24 Cd2 O10 -","2","0.5","","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Jing-Gui","Three Interpenetrated Frameworks Assembly from a Long Multicarboxylate Ligand and Transition Metal","Crystal Growth & Design","2008","8","2","665","","10.1021/cg700896j","","","0.71073","MoKα","","0.0435","0.0388","","","0.0883","0.0913","","","","","","1.097","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503257","14.799","0.003","6.2738","0.0013","7.3671","0.0015","90","","93.13","0.03","90","","683","0.2","295","2","295","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H12 O5 Zn -","- C16 H12 O5 Zn -","- C32 H24 O10 Zn2 -","2","0.5","","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Jing-Gui","Three Interpenetrated Frameworks Assembly from a Long Multicarboxylate Ligand and Transition Metal","Crystal Growth & Design","2008","8","2","665","","10.1021/cg700896j","","","0.71073","MoKα","","0.0308","0.0253","","","0.0596","0.0616","","","","","","1.101","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503258","23.067","0.002","11.6485","0.0007","18.889","0.001","90","","119.375","0.002","90","","4422.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N2 Ni O4 -","- C26 H18 N2 Ni O4 -","- C208 H144 N16 Ni8 O32 -","8","1","","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Jing-Gui","Three Interpenetrated Frameworks Assembly from a Long Multicarboxylate Ligand and Transition Metal","Crystal Growth & Design","2008","8","2","665","","10.1021/cg700896j","","","0.71073","MoKα","","0.101","0.051","","","0.118","0.141","","","","","","1.06","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503259","37.709","0.0007","12.302","0.0009","16.303","0.0012","90","0.001","90","0.0009","90","0.001","7562.9","0.8","293","2","293","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C34 H44 Cu N10 O6 S2 -","- C34 H36 Cu N10 O6 S2 -","- C272 H288 Cu8 N80 O48 S16 -","8","1","","Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju","Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions","Crystal Growth & Design","2008","8","4","1250","","10.1021/cg7008978","","","0.71069","MoKα","","0.1023","0.0689","","","0.178","0.1931","","","","","","0.951","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503260","10.337","0.0003","11.2409","0.0003","17.2356","0.0008","90","","100.713","0.001","90","","1967.82","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu N10 O6 S2 -","- C36 H42 Cu N10 O6 S2 -","- C72 H84 Cu2 N20 O12 S4 -","2","0.5","","Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju","Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions","Crystal Growth & Design","2008","8","4","1250","","10.1021/cg7008978","","","0.71073","MoKα","","0.057","0.0444","","","0.1417","0.1461","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503261","8.375","0.005","13.382","0.006","18.232","0.01","81.49","0.02","89.74","0.02","75.69","0.02","1957","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cl4 Cu N10 O8 S2 -","- C32 H36 Cl4 Cu N10 O8 S2 -","- C64 H72 Cl8 Cu2 N20 O16 S4 -","2","1","","Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju","Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions","Crystal Growth & Design","2008","8","4","1250","","10.1021/cg7008978","","","0.71073","MoKα","","0.0909","0.0571","","","0.1307","0.1474","","","","","","1.086","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503262","8.583","0.005","8.705","0.004","12.119","0.008","97.08","0.02","93.54","0.02","93.01","0.02","895.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 Cu N6 O16 S2 -","- C28 H42 Cu N6 O16 S2 -","- C28 H42 Cu N6 O16 S2 -","1","0.5","","Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju","Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions","Crystal Growth & Design","2008","8","4","1250","","10.1021/cg7008978","","","0.71069","MoKα","","0.0511","0.0379","","","0.0917","0.097","","","","","","1.062","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503263","10.438","0.004","10.723","0.005","14.965","0.007","107.29","0.02","100.68","0.018","91.136","0.017","1566.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H37 Cu N6 O11 S2 -","- C25 H37 Cu N6 O11 S2 -","- C50 H74 Cu2 N12 O22 S4 -","2","1","","Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju","Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions","Crystal Growth & Design","2008","8","4","1250","","10.1021/cg7008978","","","0.71069","MoKα","","0.0632","0.0455","","","0.1053","0.1156","","","","","","1.053","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503264","9.1123","0.0009","11.2413","0.0011","14.5418","0.0015","69.421","0.001","85.203","0.002","75.75","0.002","1351.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H70 Cu N14 O6 S2 -","- C50 H56 Cu N14 O6 S2 -","- C50 H56 Cu N14 O6 S2 -","1","0.5","","Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju","Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions","Crystal Growth & Design","2008","8","4","1250","","10.1021/cg7008978","","","0.71073","MoKα","","0.0777","0.0615","","","0.1681","0.1834","","","","","","1.072","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503265","8.849","0.003","11.699","0.006","15.111","0.009","70.49","0.02","85.952","0.019","73.763","0.017","1415.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H74 Cu N14 O7 S2 -","- C52 H68 Cu N14 O7 S2 -","- C52 H68 Cu N14 O7 S2 -","1","0.5","","Zhang, Wen-Li; Liu, Ying-Ying; Ma, Jian-Fang; Jiang, Hui; Yang, Jin; Ping, Guang-Ju","Fine Tuning of the Cu(II)-Bis(imidazole) Networks by Changing Sulfonate Anions","Crystal Growth & Design","2008","8","4","1250","","10.1021/cg7008978","","","0.71073","MoKα","","0.0794","0.0506","","","0.1293","0.1487","","","","","","1.081","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503266","9.125","0.0013","10.301","0.0015","11.889","0.0017","90","","109.207","0.002","90","","1055.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Sparfloxamine trihydrate","","","- C19 H28 F2 N4 O6 -","- C19 H28 F2 N4 O6 -","- C38 H56 F4 N8 O12 -","2","1","","Llinàs, Antonio; Burley, Jonathan C.; Prior, Timothy J.; Glen, Robert C.; Goodman, Jonathan M.","Concomitant Hydrate Polymorphism in the Precipitation of Sparfloxacin from Aqueous Solution","Crystal Growth & Design","2008","8","1","114","","10.1021/cg700908m","","","0.6904","synchrotron","","0.0782","0.0571","","","0.1377","0.1511","","","","","","0.976","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503267","9.1533","0.0003","10.3248","0.0004","11.9341","0.0004","90","","109.221","0.002","90","","1064.97","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 F2 N4 O6 -","- C19 H28 F2 N4 O6 -","- C38 H56 F4 N8 O12 -","2","1","","Llinàs, Antonio; Burley, Jonathan C.; Prior, Timothy J.; Glen, Robert C.; Goodman, Jonathan M.","Concomitant Hydrate Polymorphism in the Precipitation of Sparfloxacin from Aqueous Solution","Crystal Growth & Design","2008","8","1","114","","10.1021/cg700908m","","","0.71073","MoKα","","0.0458","0.0373","","","0.0859","0.0905","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503268","15.327","0.002","5.8949","0.0009","26.692","0.004","90","","92.763","0.004","90","","2408.8","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N6 O4 S2 -","- C26 H16 N6 O4 S2 -","- C104 H64 N24 O16 S8 -","4","0.5","","Lutker, Katie M.; Tolstyka, Zachary P.; Matzger, Adam J.","Investigation of a Privileged Polymorphic Motif: a Dimeric ROY Derivative.","Crystal growth & design","2008","8","1","136","139","10.1021/cg700921w","","","0.71073","MoKα","","0.0771","0.0407","","","0.087","0.1032","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503269","7.7327","0.0012","8.1178","0.0013","21.309","0.003","95.762","0.004","91.092","0.004","117.525","0.004","1177","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N6 O4 S2 -","- C26 H16 N6 O4 S2 -","- C52 H32 N12 O8 S4 -","2","1","","Lutker, Katie M.; Tolstyka, Zachary P.; Matzger, Adam J.","Investigation of a Privileged Polymorphic Motif: a Dimeric ROY Derivative.","Crystal growth & design","2008","8","1","136","139","10.1021/cg700921w","","","0.71073","MoKα","","0.1115","0.065","","","0.1674","0.1882","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503270","9.412","0.005","8.372","0.004","16.858","0.008","90","","105.969","0.005","90","","1277.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 N Nd O9 -","- C9 H12 N Nd O9 -","- C36 H48 N4 Nd4 O36 -","4","1","","Huang, You-Gui; Jiang, Fei-Long; Yuan, Da-Qiang; Wu, Ming-Yan; Gao, Qiang; Wei, Wei; Hong, Mao-Chun","A Prototypical Zeolitic Lanthanide−Organic Framework with Nanotubular Structure","Crystal Growth & Design","2008","8","1","166","","10.1021/cg700927s","","","0.71073","MoKα","","0.0294","0.0267","","","0.0722","0.0743","","","","","","1.04","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503271","9.648","0.0019","13.219","0.003","18.633","0.004","89.14","0.03","86.43","0.03","82.22","0.03","2349.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Ag Cl3 Mo8 N6 O26 -","- C30 H24 Ag Cl3 Mo8 N6 O26 -","- C60 H48 Ag2 Cl6 Mo16 N12 O52 -","2","1","","Han, Zhangang; Gao, Yuanzhe; Hu, Changwen","Noncovalently Connected Framework Assembled from Unusual Octamolybdate-Based Inorganic Chain and Organic Cation","Crystal Growth & Design","2008","8","4","1261","","10.1021/cg700928p","","","0.71073","MoKα","","0.0973","0.0588","","","0.1344","0.1434","","","","","","0.918","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503272","6.6439","0.0001","23.2514","0.0004","33.5615","0.0007","90","","90","","90","","5184.58","0.16","240","2","240","2","","","","","","","","5","C m c a","-C 2ac 2","64","2.(CHCl3)2","caffeine-succinic acid-chloroform 4/1/2","","- C38 H48 Cl6 N16 O12 -","- C38 H49 Cl6 N16 O12 -","- C152 H196 Cl24 N64 O48 -","4","","","Friščić, Tomislav; Trask, Andrew V.; Motherwell, W. D. S.; Jones, W.","Guest-Directed Assembly of Caffeine and Succinic Acid into Topologically Different Heteromolecular Host Networks upon Grinding","Crystal Growth & Design","2008","8","5","1605","","10.1021/cg700929e","","","0.71073","MoKα","","0.134","0.089","","","0.2459","0.2849","","","","","","1.033","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503273","12.0064","0.0004","33.4489","0.0008","6.549","0.0002","90","","104.951","0.001","90","","2541.05","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2.(CHBr3)2","caffeine-succinic acid-bromoform 4/1/2","","- C38 H48 Br6 N16 O12 -","- C38 H48 Br6 N16 O12 -","- C76 H96 Br12 N32 O24 -","2","0.5","","Friščić, Tomislav; Trask, Andrew V.; Motherwell, W. D. S.; Jones, W.","Guest-Directed Assembly of Caffeine and Succinic Acid into Topologically Different Heteromolecular Host Networks upon Grinding","Crystal Growth & Design","2008","8","5","1605","","10.1021/cg700929e","","","0.71073","MoKα","","0.1359","0.1233","","","0.3147","0.3218","","","","","","1.092","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503274","33.054","0.0012","5.845","0.003","20.702","0.004","90","","121.116","0.003","90","","3424.2","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18.5 H14 N2 O5.5 Zn -","- C18.5 H14 N2 O5.5 Zn -","- C148 H112 N16 O44 Zn8 -","8","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wei, Guo-Hua; Zhang, Lai-Ping; Su, Zhong-Min","Structures and Luminescent Properties of Seven Coordination Polymers of Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone Tetracarboxylate Anion and Bis(imidazole)","Crystal Growth & Design","2008","8","2","675","","10.1021/cg7009385","","","0.71069","MoKα","","0.0746","0.0522","","","0.1248","0.1371","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503275","11.771","0.0003","4.789","0.0007","26.329","0.0016","90","","96.822","0.001","90","","1473.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H22 N4 O10 Zn2 -","- C31 H20 N4 O10 Zn2 -","- C62 H40 N8 O20 Zn4 -","2","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wei, Guo-Hua; Zhang, Lai-Ping; Su, Zhong-Min","Structures and Luminescent Properties of Seven Coordination Polymers of Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone Tetracarboxylate Anion and Bis(imidazole)","Crystal Growth & Design","2008","8","2","675","","10.1021/cg7009385","","","0.71069","MoKα","","0.0499","0.0389","","","0.0871","0.0925","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503276","10.908","0.0005","24.519","0.0007","14.7","0.0011","90","","95.969","0.001","90","","3910.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 N8 O12 Zn2 -","- C37 H40 N8 O12 Zn2 -","- C148 H160 N32 O48 Zn8 -","4","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wei, Guo-Hua; Zhang, Lai-Ping; Su, Zhong-Min","Structures and Luminescent Properties of Seven Coordination Polymers of Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone Tetracarboxylate Anion and Bis(imidazole)","Crystal Growth & Design","2008","8","2","675","","10.1021/cg7009385","","","0.71069","MoKα","","0.071","0.0407","","","0.0925","0.104","","","","","","1.034","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503277","10.648","0.0008","11.718","0.0009","13.638","0.001","74.211","0.001","72.877","0.001","80.594","0.001","1558.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N4 O11 Zn2.5 -","- C31 H31 N4 O11 Zn2.5 -","- C62 H62 N8 O22 Zn5 -","2","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wei, Guo-Hua; Zhang, Lai-Ping; Su, Zhong-Min","Structures and Luminescent Properties of Seven Coordination Polymers of Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone Tetracarboxylate Anion and Bis(imidazole)","Crystal Growth & Design","2008","8","2","675","","10.1021/cg7009385","","","0.71069","MoKα","","0.0395","0.0333","","","0.0878","0.0905","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503278","10.28","0.0013","13.627","0.0018","14.614","0.0019","93.972","0.002","100.465","0.002","95.312","0.002","1996.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 N6 O14 Zn2 -","- C41 H26 N6 O14 Zn2 -","- C82 H52 N12 O28 Zn4 -","2","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wei, Guo-Hua; Zhang, Lai-Ping; Su, Zhong-Min","Structures and Luminescent Properties of Seven Coordination Polymers of Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone Tetracarboxylate Anion and Bis(imidazole)","Crystal Growth & Design","2008","8","2","675","","10.1021/cg7009385","","","0.71069","MoKα","","0.0935","0.0583","","","0.1531","0.1631","","","","","","0.895","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503279","10.639","0.0004","11.302","0.0005","16.097","0.0006","95.619","0.001","101.781","0.001","100.51","0.001","1844.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H30 Cd2 N6 O11 -","- C41 H30 Cd2 N6 O11 -","- C82 H60 Cd4 N12 O22 -","2","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wei, Guo-Hua; Zhang, Lai-Ping; Su, Zhong-Min","Structures and Luminescent Properties of Seven Coordination Polymers of Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone Tetracarboxylate Anion and Bis(imidazole)","Crystal Growth & Design","2008","8","2","675","","10.1021/cg7009385","","","0.71069","MoKα","","0.0292","0.0259","","","0.0728","0.0748","","","","","","1.053","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503280","26.095","0.0014","10.896","0.0006","23.968","0.0013","90","","119.284","0.001","90","","5944","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H25 Cd N6 O5.5 -","- C32.5 H25 Cd N6 O5.5 -","- C260 H200 Cd8 N48 O44 -","8","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wei, Guo-Hua; Zhang, Lai-Ping; Su, Zhong-Min","Structures and Luminescent Properties of Seven Coordination Polymers of Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone Tetracarboxylate Anion and Bis(imidazole)","Crystal Growth & Design","2008","8","2","675","","10.1021/cg7009385","","","0.71069","MoKα","","0.1021","0.0447","","","0.0836","0.0947","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503281","9.3297","0.001","11.0816","0.0014","14.6701","0.0017","91.488","0.01","100.609","0.009","98.19","0.01","1473.5","0.3","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[1]2[4]","","","- C36 H32 N2 O8 -","- C36 H32 N2 O8 -","- C72 H64 N4 O16 -","2","1","","Timmons, Daren J.; Pacheco, Matthew R.; Fricke, Kyle A.; Slebodnick, Carla","Assembling Extended Structures with Flavonoids","Crystal Growth & Design","2008","8","8","2765","","10.1021/cg7009572","","x-ray","0.71073","MoKα","","0.0989","0.0552","","","0.1385","0.1613","","","","","","0.964","","","","has coordinates","301842","2025-08-21","00:37:12",""
"4503282","6.3156","0.0014","12.822","0.002","22.026","0.004","90","","90","","90","","1783.6","0.6","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","[1][4]","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Timmons, Daren J.; Pacheco, Matthew R.; Fricke, Kyle A.; Slebodnick, Carla","Assembling Extended Structures with Flavonoids","Crystal Growth & Design","2008","8","8","2765","","10.1021/cg7009572","","x-ray","0.71073","MoKα","","0.0396","0.0291","","","0.0611","0.0627","","","","","","0.957","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503283","10.551","0.003","17.532","0.003","11.5","0.003","90","","116.49","0.03","90","","1903.9","0.9","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","[3][4]","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Timmons, Daren J.; Pacheco, Matthew R.; Fricke, Kyle A.; Slebodnick, Carla","Assembling Extended Structures with Flavonoids","Crystal Growth & Design","2008","8","8","2765","","10.1021/cg7009572","","x-ray","0.71073","MoKα","","0.0942","0.0369","","","0.0664","0.0746","","","","","","0.792","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503284","11.94","0.03","12.84","0.04","15.99","0.02","98.57","0.17","91.47","0.15","116.7","0.3","2154","11","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[2]2[4]3","","","- C48 H56 N6 O14 -","- C48 H56 N6 O14 -","- C96 H112 N12 O28 -","2","1","","Timmons, Daren J.; Pacheco, Matthew R.; Fricke, Kyle A.; Slebodnick, Carla","Assembling Extended Structures with Flavonoids","Crystal Growth & Design","2008","8","8","2765","","10.1021/cg7009572","","x-ray","1.54184","CuKα","","0.2093","0.0549","","","0.085","0.1154","","","","","","0.521","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503285","7.7554","0.0003","8.4738","0.0003","13.5889","0.0005","74.136","0.001","87.049","0.001","85.93","0.001","856.37","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CoEnOx-26NDS-H2O","","","- C11 H23 Co N4 O9 S -","- C11 H23 Co N4 O9 S -","- C22 H46 Co2 N8 O18 S2 -","2","1","","Wang, Xin-Yi; Sevov, Slavi C.","A Series of Guest-Defined Metal-Complex/Disulfonate Frameworks of Hydrogen-Bonded [Co(en)2(ox)]+and 2,6-Naphtalenedisulfonate","Crystal Growth & Design","2008","8","4","1265","","10.1021/cg700968q","","","0.71073","MoKα","","0.0355","0.032","","","0.0842","0.0862","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503286","6.3976","0.0003","11.8749","0.0006","25.1729","0.0012","90","","93.088","0.003","90","","1909.63","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CoEnOX-26NDS-DMSO","","","- C13 H25 Co N4 O8 S2 -","- C13 H25 Co N4 O8 S2 -","- C52 H100 Co4 N16 O32 S8 -","4","1","","Wang, Xin-Yi; Sevov, Slavi C.","A Series of Guest-Defined Metal-Complex/Disulfonate Frameworks of Hydrogen-Bonded [Co(en)2(ox)]+and 2,6-Naphtalenedisulfonate","Crystal Growth & Design","2008","8","4","1265","","10.1021/cg700968q","","","0.71073","MoKα","","0.0488","0.0342","","","0.0758","0.0826","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503287","6.907","0.0002","12.569","0.0003","12.8507","0.0003","82.113","0.002","85.852","0.002","88.226","0.002","1101.92","0.05","446","2","100","2","","","","","","","","6","P -1","-P 1","2","CoEnOX-26NDS-pnp","","","- C17 H24 Co N5 O10 S -","- C17 H24 Co N5 O10 S -","- C34 H48 Co2 N10 O20 S2 -","2","1","","Wang, Xin-Yi; Sevov, Slavi C.","A Series of Guest-Defined Metal-Complex/Disulfonate Frameworks of Hydrogen-Bonded [Co(en)2(ox)]+and 2,6-Naphtalenedisulfonate","Crystal Growth & Design","2008","8","4","1265","","10.1021/cg700968q","","","0.71073","MoKα","","0.03","0.0267","","","0.0742","0.0762","","","","","","1.114","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503288","29.3244","0.0013","11.8856","0.0005","12.8941","0.0006","90","","106.036","0.002","90","","4319.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CoEnOX-26NDS-DMF","","","- C31 H63 Co2 N11 O19 S2 -","- C31 H52 Co2 N11 O19 S2 -","- C124 H208 Co8 N44 O76 S8 -","4","0.5","","Wang, Xin-Yi; Sevov, Slavi C.","A Series of Guest-Defined Metal-Complex/Disulfonate Frameworks of Hydrogen-Bonded [Co(en)2(ox)]+and 2,6-Naphtalenedisulfonate","Crystal Growth & Design","2008","8","4","1265","","10.1021/cg700968q","","","0.71073","MoKα","","0.0605","0.0454","","","0.1163","0.1304","","","","","","1.05","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503289","29.167","0.0013","11.8769","0.0006","13.0194","0.0006","90","","106.56","0.002","90","","4323","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CoEnOx-26NDS-dmapy","","","- C36 H58 Co2 N12 O14 S2 -","- C36 H58 Co2 N12 O14 S2 -","- C144 H232 Co8 N48 O56 S8 -","4","0.5","","Wang, Xin-Yi; Sevov, Slavi C.","A Series of Guest-Defined Metal-Complex/Disulfonate Frameworks of Hydrogen-Bonded [Co(en)2(ox)]+and 2,6-Naphtalenedisulfonate","Crystal Growth & Design","2008","8","4","1265","","10.1021/cg700968q","","","0.71073","MoKα","","0.0436","0.0359","","","0.0926","0.0969","","","","","","1.04","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503290","10.225","0.005","19.053","0.005","13.954","0.005","90","","99.509","0.005","90","","2681.1","1.8","180","","180","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H27 K2 N2 O22.5 Zr -","- C14 H14 K2 N2 O22.5 Zr -","- C56 H56 K8 N8 O90 Zr4 -","4","2","","Thétiot, Franck; Duhayon, Carine; Venkatakrishnan, Thengarai S.; Sutter, Jean-Pascal","Modular Assembling of [Zr(C2O4)4]4−and [DabcoH2]2+Units in Supramolecular Hybrid Architectures Including an Open Framework with Reversible Sorption Properties (Dabco = 1,4-Diazabicyclo[2. 2. 2]octane)","Crystal Growth & Design","2008","8","6","1870","","10.1021/cg700971n","","","0.71073","MoKα","","0.0513","0.0432","","0.0585","0.054","0.054","","","","","","1.0289","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503291","9.9952","0.0004","13.6353","0.0007","20.1922","0.001","90","","103.156","0.005","90","","2679.7","0.2","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 N4 O19 Zr -","- C20 H28 N4 O19 Zr -","- C80 H112 N16 O76 Zr4 -","4","1","","Thétiot, Franck; Duhayon, Carine; Venkatakrishnan, Thengarai S.; Sutter, Jean-Pascal","Modular Assembling of [Zr(C2O4)4]4−and [DabcoH2]2+Units in Supramolecular Hybrid Architectures Including an Open Framework with Reversible Sorption Properties (Dabco = 1,4-Diazabicyclo[2. 2. 2]octane)","Crystal Growth & Design","2008","8","6","1870","","10.1021/cg700971n","","","0.71073","MoKα","","0.1705","0.0985","","0.1238","0.0985","0.0985","","","","","","1.1102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503292","12.066","0.005","14.581","0.005","16.927","0.005","90","","93.872","0.005","90","","2971.2","1.8","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H39 N4 O21.5 Zr -","- C20 H36 N4 O21.5 Zr -","- C80 H144 N16 O86 Zr4 -","4","1","","Thétiot, Franck; Duhayon, Carine; Venkatakrishnan, Thengarai S.; Sutter, Jean-Pascal","Modular Assembling of [Zr(C2O4)4]4−and [DabcoH2]2+Units in Supramolecular Hybrid Architectures Including an Open Framework with Reversible Sorption Properties (Dabco = 1,4-Diazabicyclo[2. 2. 2]octane)","Crystal Growth & Design","2008","8","6","1870","","10.1021/cg700971n","","","0.71073","MoKα","","0.0351","0.0274","","0.034","0.0316","0.0316","","","","","","1.0498","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503293","13.391","0.001","10.3878","0.0008","14.712","0.0011","90","","90.875","0.009","90","","2046.2","0.3","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 K2 N4 O34 Zr2 -","- C26 H40 K2 N4 O34 Zr2 -","- C52 H80 K4 N8 O68 Zr4 -","2","0.5","","Thétiot, Franck; Duhayon, Carine; Venkatakrishnan, Thengarai S.; Sutter, Jean-Pascal","Modular Assembling of [Zr(C2O4)4]4−and [DabcoH2]2+Units in Supramolecular Hybrid Architectures Including an Open Framework with Reversible Sorption Properties (Dabco = 1,4-Diazabicyclo[2. 2. 2]octane)","Crystal Growth & Design","2008","8","6","1870","","10.1021/cg700971n","","","0.71073","MoKα","","0.0507","0.0389","","0.051","0.0449","0.0449","","","","","","1.0978","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503294","14.0395","0.0011","6.7633","0.0005","17.4564","0.0014","90","","97.023","0.001","90","","1645.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Dibromofuchsone","2,6-Dibromo-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C19 H12 Br2 O -","- C19 H12 Br2 O -","- C76 H48 Br8 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0402","0.0284","","","0.0675","0.0725","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503295","13.977","0.0006","6.6643","0.0003","17.3378","0.0008","90","","97.144","0.001","90","","1602.43","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dibromofuchsone","2,6-Dbromo-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C19 H12 Br2 O -","- C19 H12 Br2 O -","- C76 H48 Br8 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0338","0.0272","","","0.0706","0.074","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503296","31.056","0.0018","17.0663","0.001","23.9123","0.0014","90","","106.511","0.001","90","","12151.2","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,6-Dichlorofuchsone","2,6-Dichloro-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C19 H12 Cl2 O -","- C19 H12 Cl2 O -","- C608 H384 Cl64 O32 -","32","4","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0678","0.0511","","","0.1163","0.1253","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503297","14.066","0.005","6.489","0.002","17.068","0.006","90","","97.853","0.007","90","","1543.3","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dichloro-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C19 H12 Cl2 O -","- C18.99 H12 Cl2 O -","- C75.96 H48 Cl8 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.2086","0.1443","","","0.2508","0.2816","","","","","","1.195","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503298","8.9765","0.0007","20.8175","0.0015","21.5274","0.0016","90","","90","","90","","4022.8","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,6-Diisopropylfuchsone","2,6-Diisopropyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C25 H26 O -","- C25 H26 O -","- C200 H208 O8 -","8","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0536","0.0453","","","0.1007","0.1047","","","","","","1.106","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503299","10.183","0.0006","20.7015","0.0013","9.6029","0.0006","90","","104.737","0.001","90","","1957.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Diisopropylfuchsone","2,6-Diisopropyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C25 H26 O -","- C25 H26 O -","- C100 H104 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.066","0.0519","","","0.1212","0.1303","","","","","","1.032","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503300","8.3795","0.0012","18.562","0.003","9.8928","0.0014","90","","90.599","0.002","90","","1538.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dimethylfuchsone","2,6-Dimethyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C21 H18 O -","- C21 H18 O -","- C84 H72 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0599","0.0462","","","0.101","0.1079","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503301","8.0576","0.0011","10.7259","0.0014","17.609","0.002","90","","90","","90","","1521.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Dimethylfuchsone","2,6-Dimethyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C21 H18 O -","- C21 H18 O -","- C84 H72 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0331","0.0319","","","0.0782","0.0788","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503302","8.0562","0.0006","23.5228","0.0019","11.5384","0.0009","90","","90","","90","","2186.6","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,6-Diphenylfuchsone","2,6-Diphenyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","0.5","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0652","0.0577","","","0.1213","0.1249","","","","","","1.181","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503303","10.535","0.002","21.685","0.004","9.6923","0.0019","90","","103.07","0.03","90","","2156.9","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Ditertiarybutylfuchsone","2,6-Ditertiarybutyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C27 H30 O -","- C27 H30 O -","- C108 H120 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0643","0.0496","","","0.1084","0.116","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503304","10.187","0.002","17.517","0.004","12.322","0.003","90","","95.41","0.03","90","","2189","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Ditertiarybutylfuchsone","2,6-Ditertiarybutyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C27 H30 O -","- C27 H30 O -","- C108 H120 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0443","0.0386","","","0.0958","0.0996","","","","","","1.053","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503305","5.9514","0.0012","20.416","0.004","9.1338","0.0018","90","","94.53","0.03","90","","1106.3","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","2,6-Ditertiarybutylfuchsone","2,6-Ditertiarybutyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C27 H30 O -","- C27 H30 O -","- C54 H60 O2 -","2","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0695","0.0538","","","0.1038","0.1084","","","","","","1.186","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503306","8.5802","0.0017","16.575","0.003","10.004","0.002","90","","109.7","0.03","90","","1339.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Fuchsone","4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C19 H14 O -","- C19 H14 O -","- C76 H56 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0413","0.0365","","","0.088","0.0916","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503307","12.2996","0.0011","12.2996","0.0011","6.8558","0.0011","90","","90","","90","","1037.1","0.2","293","2","293","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H15 Cl4 Cu6 N5 O -","- C8 H16 Cl4 Cu6 N5 O -","- C16 H32 Cl8 Cu12 N10 O2 -","2","0.125","","Liu, Xi; Guo, Guo-Cong","A Volcano-Group-like Halogeno(cyano)cuprate with Efficient Green Luminescence","Crystal Growth & Design","2008","8","3","776","","10.1021/cg7009786","","","0.71073","MoKα","","0.033","0.0326","","","0.0959","0.0964","","","","","","1.005","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503308","19.041","0.004","23.089","0.005","15.056","0.003","90","","90","","90","","6619","2","173","2","173","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C55 H48 Cd5 N16 O23 -","- C55 H38 Cd5 N16 O23 -","- C220 H152 Cd20 N64 O92 -","4","0.25","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Four 3D Porous Metal−Organic Frameworks with Various Layered and Pillared Motifs","Crystal Growth & Design","2008","8","3","986","","10.1021/cg700979r","","","0.71073","MoKα","","0.1157","0.0954","","","0.2002","0.2113","","","","","","1.176","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503309","14.4247","0.0017","16.2067","0.0019","15.7309","0.0018","90","","90","","90","","3677.5","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H16 Cd5 N10 O16 -","- C30 H16 Cd5 N10 O16 -","- C120 H64 Cd20 N40 O64 -","4","0.5","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Four 3D Porous Metal−Organic Frameworks with Various Layered and Pillared Motifs","Crystal Growth & Design","2008","8","3","986","","10.1021/cg700979r","","","0.71073","MoKα","","0.0248","0.0197","","","0.0463","0.0485","","","","","","1.056","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503310","16.6207","0.0007","15.3719","0.0012","37.354","0.003","90","","90","","90","","9543.6","1.1","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C17.5 H15 Cd2.5 N5.5 O10.25 -","- C17.5 H9.5 Cd2.5 N5.5 O10.25 -","- C280 H152 Cd40 N88 O164 -","16","","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Four 3D Porous Metal−Organic Frameworks with Various Layered and Pillared Motifs","Crystal Growth & Design","2008","8","3","986","","10.1021/cg700979r","","","1.54178","CuKα","","0.109","0.0915","","","0.2009","0.2088","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503311","19.374","0.002","14.8874","0.0018","15.3721","0.0018","90","","111.753","0.002","90","","4118","0.8","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32.5 H28.5 Cd4 K N10.5 O19.5 -","- C32.5 H18.5 Cd4 K N10.5 O19.45 -","- C130 H74 Cd16 K4 N42 O77.8 -","4","1","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Four 3D Porous Metal−Organic Frameworks with Various Layered and Pillared Motifs","Crystal Growth & Design","2008","8","3","986","","10.1021/cg700979r","","","0.71073","MoKα","","0.111","0.0679","","","0.2062","0.2422","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4503312","8.1131","0.0011","13.093","0.0018","20.74","0.003","90","","90","","90","","2203.1","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 Eu N O9 -","- C6 H12 Eu N O9 -","- C48 H96 Eu8 N8 O72 -","8","1","","Chen, Zhi; Zhao, Bin; Zhang, Yang; Shi, Wei; Cheng, Peng","Construction and Characterization of Several New Lanthanide−Organic Frameworks: From 2D Lattice to 2D Double-Layer and to Porous 3D Net with Interweaving Triple-Stranded Helixes","Crystal Growth & Design","2008","8","7","2291","","10.1021/cg700988s","","","0.71073","MoKα","","0.0289","0.0234","","","0.0577","0.0602","","","","","","1.066","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503313","6.782","0.0015","6.5963","0.0014","19.879","0.004","90","","93.126","0.004","90","","888","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N O7 Tb -","- C6 H8 N O7 Tb -","- C24 H32 N4 O28 Tb4 -","4","1","","Chen, Zhi; Zhao, Bin; Zhang, Yang; Shi, Wei; Cheng, Peng","Construction and Characterization of Several New Lanthanide−Organic Frameworks: From 2D Lattice to 2D Double-Layer and to Porous 3D Net with Interweaving Triple-Stranded Helixes","Crystal Growth & Design","2008","8","7","2291","","10.1021/cg700988s","","","0.71073","MoKα","","0.0383","0.0306","","","0.0782","0.0811","","","","","","1.125","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503314","6.761","0.0014","6.5621","0.0013","19.794","0.004","90","","93.32","0.03","90","","876.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Ho N O7 S0 -","- C6 H8 Ho N O7 -","- C24 H32 Ho4 N4 O28 -","4","1","","Chen, Zhi; Zhao, Bin; Zhang, Yang; Shi, Wei; Cheng, Peng","Construction and Characterization of Several New Lanthanide−Organic Frameworks: From 2D Lattice to 2D Double-Layer and to Porous 3D Net with Interweaving Triple-Stranded Helixes","Crystal Growth & Design","2008","8","7","2291","","10.1021/cg700988s","","","0.71073","MoKα","","0.0254","0.0211","","","0.0529","0.0542","","","","","","1.058","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503315","7.5101","0.0012","8.8916","0.0015","13.734","0.002","90","","90","","90","","917.1","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Ho N O7 -","- C6 H8 Ho N O7 -","- C24 H32 Ho4 N4 O28 -","4","1","","Chen, Zhi; Zhao, Bin; Zhang, Yang; Shi, Wei; Cheng, Peng","Construction and Characterization of Several New Lanthanide−Organic Frameworks: From 2D Lattice to 2D Double-Layer and to Porous 3D Net with Interweaving Triple-Stranded Helixes","Crystal Growth & Design","2008","8","7","2291","","10.1021/cg700988s","","","0.71073","MoKα","","0.0187","0.0179","","","0.0425","0.0428","","","","","","1.086","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503316","7.5829","0.001","8.9941","0.0012","13.8525","0.0018","90","","90","","90","","944.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 N O7 Tm -","- C6 H8 N O7 Tm -","- C24 H32 N4 O28 Tm4 -","4","1","","Chen, Zhi; Zhao, Bin; Zhang, Yang; Shi, Wei; Cheng, Peng","Construction and Characterization of Several New Lanthanide−Organic Frameworks: From 2D Lattice to 2D Double-Layer and to Porous 3D Net with Interweaving Triple-Stranded Helixes","Crystal Growth & Design","2008","8","7","2291","","10.1021/cg700988s","","","0.71073","MoKα","","0.0238","0.0227","","","0.0549","0.0554","","","","","","1.087","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503317","16.851","0.0006","26.081","0.0007","14.564","0.0007","90","","116.735","0.001","90","","5716.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N3 O13 Zn2 -","- C28 H22 N3 O13 Zn2 -","- C224 H176 N24 O104 Zn16 -","8","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Fu, Yao-Mei; Yang, Jin; Ping, Guang-Ju; Liu, Jie; Su, Zhong-Min","Structures and Luminescent Properties of a Series of Zinc(II) and Cadmium(II) 4,4′-Oxydiphthalate Coordination Polymers with Various Ligands Based on Bis(pyridyl imidazole) under Hydrothermal Conditions","Crystal Growth & Design","2008","8","5","1610","","10.1021/cg700994p","","","0.71069","MoKα","","0.0587","0.0373","","","0.0967","0.1064","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503318","10.257","0.0006","13.514","0.0006","14.604","0.0008","94.744","0.001","99.826","0.001","95.543","0.001","1975.1","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N6 O14 Zn2 -","- C40 H36 N6 O14 Zn2 -","- C80 H72 N12 O28 Zn4 -","2","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Fu, Yao-Mei; Yang, Jin; Ping, Guang-Ju; Liu, Jie; Su, Zhong-Min","Structures and Luminescent Properties of a Series of Zinc(II) and Cadmium(II) 4,4′-Oxydiphthalate Coordination Polymers with Various Ligands Based on Bis(pyridyl imidazole) under Hydrothermal Conditions","Crystal Growth & Design","2008","8","5","1610","","10.1021/cg700994p","","","0.71069","MoKα","","0.0541","0.0399","","","0.1072","0.1164","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503319","11.129","0.0009","13.988","0.0011","16.141","0.0013","82.895","0.002","88.392","0.001","66.718","0.001","2289.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 N6 O16 Zn2 -","- C40 H26 N6 O16 Zn2 -","- C80 H52 N12 O32 Zn4 -","2","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Fu, Yao-Mei; Yang, Jin; Ping, Guang-Ju; Liu, Jie; Su, Zhong-Min","Structures and Luminescent Properties of a Series of Zinc(II) and Cadmium(II) 4,4′-Oxydiphthalate Coordination Polymers with Various Ligands Based on Bis(pyridyl imidazole) under Hydrothermal Conditions","Crystal Growth & Design","2008","8","5","1610","","10.1021/cg700994p","","","0.71069","MoKα","","0.0926","0.0683","","","0.19","0.2144","","","","","","1.018","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503320","17.11","0.0007","26.729","0.0007","14.702","0.0007","90","","118.402","0.0008","90","","5914.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd2 N3 O13 -","- C28 H16 Cd2 N3 O13 -","- C224 H128 Cd16 N24 O104 -","8","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Fu, Yao-Mei; Yang, Jin; Ping, Guang-Ju; Liu, Jie; Su, Zhong-Min","Structures and Luminescent Properties of a Series of Zinc(II) and Cadmium(II) 4,4′-Oxydiphthalate Coordination Polymers with Various Ligands Based on Bis(pyridyl imidazole) under Hydrothermal Conditions","Crystal Growth & Design","2008","8","5","1610","","10.1021/cg700994p","","","0.71069","MoKα","","0.0768","0.0445","","","0.103","0.1195","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503321","11.312","0.0008","20.119","0.0013","16.13","0.0015","90","","96.52","0.001","90","","3647.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 Cd N6 O10.5 -","- C40 H31 Cd N6 O10.5 -","- C160 H124 Cd4 N24 O42 -","4","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Fu, Yao-Mei; Yang, Jin; Ping, Guang-Ju; Liu, Jie; Su, Zhong-Min","Structures and Luminescent Properties of a Series of Zinc(II) and Cadmium(II) 4,4′-Oxydiphthalate Coordination Polymers with Various Ligands Based on Bis(pyridyl imidazole) under Hydrothermal Conditions","Crystal Growth & Design","2008","8","5","1610","","10.1021/cg700994p","","","0.71069","MoKα","","0.0896","0.0551","","","0.1505","0.1753","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503322","23.204","0.0007","16.007","0.0007","17.087","0.0008","90","","125.13","0.001","90","","5190.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H17 Cd1.5 N3 O9 -","- C28 H17 Cd1.5 N3 O9 -","- C224 H136 Cd12 N24 O72 -","8","1","","Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Fu, Yao-Mei; Yang, Jin; Ping, Guang-Ju; Liu, Jie; Su, Zhong-Min","Structures and Luminescent Properties of a Series of Zinc(II) and Cadmium(II) 4,4′-Oxydiphthalate Coordination Polymers with Various Ligands Based on Bis(pyridyl imidazole) under Hydrothermal Conditions","Crystal Growth & Design","2008","8","5","1610","","10.1021/cg700994p","","","0.71069","MoKα","","0.065","0.0445","","","0.1149","0.1272","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503323","6.1262","0.0003","14.4772","0.0006","7.2157","0.0003","90","","111.217","0.003","90","","596.58","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H3 N2 S2 -","- C5 H3 N2 S2 -","- C20 H12 N8 S8 -","4","2","","Alberola, Antonio; Clements, Owen P.; Collis, Rebecca J.; Cubbitt, Louisa; Grant, Craig M.; Less, Robert J.; Oakley, Richard T.; Rawson, Jeremy M.; Reed, Robert W.; Robertson, Craig M.","Polymorphism in a π-Stacked 1,3,2-Dithiazolyl Radical: Pyridyl-1,3,2-Dithiazolyl","Crystal Growth & Design","2008","8","1","155","","10.1021/cg7010056","","","0.71073","MoKα","","0.0415","0.0378","","","0.0872","0.0889","","","","","","0.99","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503324","6.062","0.004","14.537","0.009","13.716","0.009","90","","100.052","0.01","90","","1190.1","1.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 N2 S2 -","- C5 H3 N2 S2 -","- C40 H24 N16 S16 -","8","2","","Alberola, Antonio; Clements, Owen P.; Collis, Rebecca J.; Cubbitt, Louisa; Grant, Craig M.; Less, Robert J.; Oakley, Richard T.; Rawson, Jeremy M.; Reed, Robert W.; Robertson, Craig M.","Polymorphism in a π-Stacked 1,3,2-Dithiazolyl Radical: Pyridyl-1,3,2-Dithiazolyl","Crystal Growth & Design","2008","8","1","155","","10.1021/cg7010056","","","0.71073","MoKα","","0.0949","0.0637","","","0.1434","0.1565","","","","","","1.061","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503325","10.317","0.002","5.9699","0.0012","16.165","0.005","90","","123.64","0.02","90","","828.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Mn N2 O4 -","- C9 H4 Mn N2 O4 -","- C36 H16 Mn4 N8 O16 -","4","1","","Yao, Yali; Che, Yunxia; Zheng, Jimin","The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu)","Crystal Growth & Design","2008","8","7","2299","","10.1021/cg7010106","","x-ray","0.71073","MoKα","","0.0679","0.0494","","","0.1257","0.1459","","","","","","1.063","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503326","18.6818","0.0016","12.6689","0.0011","15.4333","0.0013","90","","108.411","0.001","90","","3465.8","0.5","294","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Er2 N8 O18 -","- C36 H22 Er2 N8 O18 -","- C144 H88 Er8 N32 O72 -","4","1","","Yao, Yali; Che, Yunxia; Zheng, Jimin","The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu)","Crystal Growth & Design","2008","8","7","2299","","10.1021/cg7010106","","x-ray","0.71073","MoKα","","0.0333","0.0247","","","0.0537","0.0564","","","","","","1.027","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503327","18.695","0.004","12.688","0.003","15.429","0.003","90","","108.32","0.03","90","","3474.3","1.4","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Ho2 N8 O18 -","- C36 H22 Ho2 N8 O18 -","- C144 H88 Ho8 N32 O72 -","4","1","","Yao, Yali; Che, Yunxia; Zheng, Jimin","The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu)","Crystal Growth & Design","2008","8","7","2299","","10.1021/cg7010106","","x-ray","0.71073","MoKα","","0.0263","0.0237","","","0.0567","0.0576","","","","","","1.1","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503328","22.344","0.005","9.1089","0.0018","13.041","0.003","90","","121.25","0.03","90","","2269.1","1.1","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N4 Ni2 O15 -","- C18 H22 N4 Ni2 O15 -","- C72 H88 N16 Ni8 O60 -","4","0.5","","Yao, Yali; Che, Yunxia; Zheng, Jimin","The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu)","Crystal Growth & Design","2008","8","7","2299","","10.1021/cg7010106","","x-ray","0.71073","MoKα","","0.0721","0.0493","","","0.1138","0.1234","","","","","","1.057","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503329","18.608","0.004","12.621","0.003","15.378","0.003","90","","108.63","0.03","90","","3422.3","1.4","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Lu2 N8 O18 -","- C36 H17 Lu2 N8 O18 -","- C144 H68 Lu8 N32 O72 -","4","1","","Yao, Yali; Che, Yunxia; Zheng, Jimin","The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu)","Crystal Growth & Design","2008","8","7","2299","","10.1021/cg7010106","","x-ray","0.71073","MoKα","","0.043","0.0343","","","0.0867","0.0985","","","","","","1.08","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503330","7.1552","0.0014","26.541","0.005","11.625","0.004","90","","123.93","0.02","90","","1831.7","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N4 O10 Tb -","- C18 H8 N4 O10 Tb -","- C72 H32 N16 O40 Tb4 -","4","1","","Yao, Yali; Che, Yunxia; Zheng, Jimin","The Coordination Chemistry of Benzimidazole-5,6-dicarboxylic Acid with Mn(II), Ni(II), and Ln(III) Complexes (Ln = Tb, Ho, Er, Lu)","Crystal Growth & Design","2008","8","7","2299","","10.1021/cg7010106","","","0.71073","MoKα","","0.0319","0.0254","","","0.0617","0.0641","","","","","","1.045","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503331","12.0907","0.0005","7.8788","0.0003","16.2614","0.0007","90","","109.618","0.002","90","","1459.14","0.1","213.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H52 O5 -","- C33 H52 O5 -","- C66 H104 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5419","CuKα","","","0.0911","","","","0.2147","","","","","","2.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503332","13.696","0.002","8.044","0.001","14.621","0.004","90","","115.814","0.009","90","","1450.1","0.5","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl2 O5 -","- C30 H44 Cl2 O5 -","- C60 H88 Cl4 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.059","","","","0.1491","","","","","","1.443","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503333","12.0042","0.0006","8.0636","0.0003","15.8246","0.0007","90","","108.242","0.001","90","","1454.79","0.11","197.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 Cl O5 -","- C31 H47 Cl O5 -","- C62 H94 Cl2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0484","","","","0.1218","","","","","","1.263","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503334","13.4675","0.0003","8.31206","0.00018","14.1388","0.0003","90","","114.091","0.0013","90","","1444.88","0.06","193.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 Cl O5 -","- C31 H47 Cl O5 -","- C62 H94 Cl2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.0955","","","","0.2703","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503335","11.9854","0.0007","8.089","0.0006","15.847","0.001","90","","108.35","0.003","90","","1458.24","0.17","213.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 Br Cl O5 -","- C30 H44 Br Cl O5 -","- C60 H88 Br2 Cl2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0751","","","","0.2047","","","","","","2.259","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503336","12.047","0.002","8.151","0.001","15.856","0.002","90","","108.639","0.003","90","","1475.3","0.4","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 Br O5 -","- C31 H47 Br O5 -","- C62 H94 Br2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.177","","","","0.4436","","","","","","1.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503337","11.797","0.001","8.112","0.002","16.13","0.003","90","","109.068","0.005","90","","1458.9","0.5","198.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 Br O5 -","- C31 H47 Br O5 -","- C62 H94 Br2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0656","","","","0.2156","","","","","","1.695","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503338","12.099","0.002","8.1616","0.0009","16.377","0.002","90","","109.886","0.007","90","","1520.8","0.4","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H47 I O5 -","- C31 H47 I O5 -","- C62 H94 I2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0795","","","","0.2015","","","","","","1.568","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503339","12.0888","0.0007","7.8629","0.0004","16.6203","0.0009","90","","112.464","0.003","90","","1459.93","0.14","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H47 N O4 -","- C32 H47 N O4 -","- C64 H94 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.0662","","","","0.1853","","","","","","0.791","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503340","12.0802","0.0005","7.9072","0.0003","16.411","0.0008","90","","112.028","0.0019","90","","1453.16","0.11","213.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H46 I N O4 -","- C30 H46 I N O4 -","- C60 H92 I2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.1715","","","","0.4698","","","","","","1.226","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503341","12.057","0.002","7.7632","0.0006","16.441","0.002","90","","111.371","0.004","90","","1433.1","0.3","198.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H49 N O5 -","- C31 H49 N O5 -","- C62 H98 N2 O10 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0602","","","","0.1756","","","","","","1.929","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503342","12.0897","0.0004","7.8764","0.0003","16.3646","0.0005","90","","110.882","0.0017","90","","1455.94","0.09","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 N O4 -","- C32 H49 N O4 -","- C64 H98 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.1658","","","","0.4466","","","","","","1.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503343","12.1491","0.0007","7.7752","0.0004","16.6507","0.0008","90","","112.491","0.002","90","","1453.22","0.13","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O4 -","- C32 H51 N O4 -","- C64 H102 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.1265","","","","0.3901","","","","","","1.164","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503344","12.2082","0.0003","7.88262","0.00017","30.6964","0.0006","90","","91.2679","0.0011","90","","2953.27","0.11","213.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H98 N2 O10 -","- C64 H98 N2 O10 -","- C128 H196 N4 O20 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.0933","","","","0.2514","","","","","","1.288","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503345","12.1693","0.0004","7.8389","0.0003","16.5194","0.0005","90","","109.846","0.002","90","","1482.26","0.09","213.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N O4 -","- C33 H53 N O4 -","- C66 H106 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5419","CuKα","","","0.1143","","","","0.262","","","","","","1.581","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503346","7.51195","0.00019","25.7563","0.0006","13.5681","0.0004","90","","90.942","0.0014","90","","2624.8","0.12","213.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H89 Cl N2 O8 -","- C55 H89 Cl N2 O8 -","- C110 H178 Cl2 N4 O16 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.1363","","","","0.3989","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503347","12.1473","0.0007","7.9491","0.0003","16.0193","0.0007","90","","108.141","0.001","90","","1469.94","0.12","203.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 Cl N O4 -","- C31 H48 Cl N O4 -","- C62 H96 Cl2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0699","","","","0.1603","","","","","","2.089","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503348","12.139","0.003","7.924","0.002","16.334","0.003","90","","109.524","0.008","90","","1480.8","0.6","203.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 Cl N O4 -","- C31 H48 Cl N O4 -","- C62 H96 Cl2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.1108","","","","0.2507","","","","","","2.37","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503349","12.191","0.002","7.948","0.002","16.062","0.003","90","","108.286","0.007","90","","1477.7","0.5","203.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H45 Br Cl N O4 -","- C30 H45 Br Cl N O4 -","- C60 H90 Br2 Cl2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0898","","","","0.2196","","","","","","1.445","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503350","12.1387","0.0003","7.9678","0.0002","16.0506","0.0004","90","","107.984","0.001","90","","1476.55","0.06","213.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O4 -","- C32 H51 N O4 -","- C64 H102 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5419","CuKα","","","0.0782","","","","0.2188","","","","","","2.419","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503351","12.116","0.003","8","0.002","15.816","0.006","90","","109.952","0.008","90","","1441","0.7","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O4 -","- C32 H51 N O4 -","- C64 H102 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.059","","","","0.159","","","","","","1.51","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503352","7.4504","0.0007","25.4993","0.0018","13.4933","0.0015","90","","90.036","0.004","90","","2563.5","0.4","203.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H89 Br N2 O8 -","- C55 H89 Br N2 O8 -","- C110 H178 Br2 N4 O16 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54178","CuKα","","","0.1359","","","","0.3748","","","","","","1.449","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503353","12.028","0.001","7.917","0.001","16.058","0.002","90","","107.457","0.008","90","","1458.7","0.3","203.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 Br N O4 -","- C31 H48 Br N O4 -","- C62 H96 Br2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0924","","","","0.2284","","","","","","1.776","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503354","12.0131","0.0003","7.9178","0.0002","16.3375","0.0004","90","","108.724","0.0017","90","","1471.74","0.07","213.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 Br N O4 -","- C31 H48 Br N O4 -","- C62 H96 Br2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.54187","CuKα","","","0.075","","","","0.2239","","","","","","1.1","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503355","12.1293","0.0001","8.0217","0.0003","16.1373","0.0006","90","","108.674","0.007","90","","1487.46","0.1","203.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H48 I N O4 -","- C31 H48 I N O4 -","- C62 H96 I2 N2 O8 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0709","","","","0.1687","","","","","","1.189","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503356","7.493","0.002","25.654","0.006","13.75","0.003","90","","90.13","0.02","90","","2643.1","1.1","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H94 N2 O8 -","- C57 H94 N2 O8 -","- C114 H188 N4 O16 -","2","1","","Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests","Crystal Growth & Design","2008","8","3","1013","","10.1021/cg701011r","","","1.5418","CuKα","","","0.0906","","","","0.2295","","","","","","3.725","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503357","12.572","0.003","25.726","0.005","12.678","0.003","90","","90.28","0.03","90","","4100.4","1.6","173.1","1","173.1","1","","","","","","","","4","P 1 n 1","P -2yac","7","t-Bu-Calix[4]arene *0.24Xenon","","","- C44 H56 O4 Xe0.24 -","- C44 H56 O4 Xe0.235 -","- C176 H224 O16 Xe0.94 -","4","2","","Brouwer, Darren H.; Moudrakovski, Igor L.; Udachin, Kostantin A.; Enright, Gary D.; Ripmeester, John A.","Guest Loading and Multiple Phases in Single Crystals of the van der Waals Hostp-tert-Butylcalix[4]arene","Crystal Growth & Design","2008","8","6","1878","","10.1021/cg7010138","","","0.71073","MoKα","","0.1611","0.1329","","","0.3981","0.4188","","","","","","1.635","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503358","12.547","0.003","25.625","0.005","12.646","0.003","90","","90.13","0.03","90","","4065.9","1.6","100.1","1","100.1","1","","","","","","","","4","P 1 n 1","P -2yac","7","t-Bu-Calix[4]arene *0.54Xenon","","","- C44 H56 O4 Xe0.54 -","- C44 H56 O4 Xe0.54 -","- C176 H224 O16 Xe2.16 -","4","2","","Brouwer, Darren H.; Moudrakovski, Igor L.; Udachin, Kostantin A.; Enright, Gary D.; Ripmeester, John A.","Guest Loading and Multiple Phases in Single Crystals of the van der Waals Hostp-tert-Butylcalix[4]arene","Crystal Growth & Design","2008","8","6","1878","","10.1021/cg7010138","","","0.71073","MoKα","","0.2114","0.1745","","","0.4194","0.4458","","","","","","1.661","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503359","35.7188","0.001","6.8367","0.0002","16.1114","0.0005","90","","98.026","0.002","90","","3895.8","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CBZ-SAC II","Carbamazepine Saccharin cocrystal Form II","","- C22 H17 N3 O4 S -","- C22 H17 N3 O4 S -","- C176 H136 N24 O32 S8 -","8","1","","Porter, 3rd, William W; Elie, Sophia C.; Matzger, Adam J.","Polymorphism in Carbamazepine Cocrystals.","Crystal growth & design","2008","8","1","14","16","10.1021/cg701022e","","","1.54187","CuKα","","0.1057","0.0778","","","0.183","0.2058","","","","","","1.098","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503360","7.4909","0.0009","14.0406","0.0017","7.7846","0.0009","90","","99.963","0.002","90","","806.41","0.17","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Cu H10 Na3 O17 S4 Zn2 -","- Cu H8 Na3 O17 S4 Zn2 -","- Cu2 H16 Na6 O34 S8 Zn4 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0367","0.0332","","","0.0764","0.0778","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503361","7.5101","0.0008","14.139","0.0015","7.7786","0.0008","90","","100.225","0.002","90","","812.86","0.15","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Co2 Cu H10 Na3 O17 S4 -","- Co2 Cu H8 Na3 O17 S4 -","- Co4 Cu2 H16 Na6 O34 S8 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0468","0.0419","","","0.0922","0.0945","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503362","11.3771","0.0006","11.3771","0.0006","23.847","0.002","90","","90","","120","","2673.2","0.3","130","2","130","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- Co5 Cu2 H70 Na4 O59 S8 -","- Co5 Cu2 H48 Na4 O59.258 S8 -","- Co10 Cu4 H96 Na8 O118.516 S16 -","2","0.166667","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0586","0.0487","","","0.1152","0.1201","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503363","11.3081","0.0006","11.3081","0.0006","23.591","0.002","90","","90","","120","","2612.5","0.3","130","2","130","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- Cu2 H70 Na4 Ni5 O59 S8 -","- Cu2 H48 Na4 Ni5 O59.351 S8 -","- Cu4 H96 Na8 Ni10 O118.702 S16 -","2","0.166667","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0493","0.0417","","","0.109","0.1146","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503364","12.2069","0.0005","12.2069","0.0005","25.324","0.002","90","","90","","120","","3267.9","0.3","130","2","130","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Cu H24 Mn3 Na O24 S4 -","- Cu H24 Mn3 Na O24 S4 -","- Cu6 H144 Mn18 Na6 O144 S24 -","6","0.333333","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers","Crystal Growth & Design","2008","8","4","1288","","10.1021/cg7010259","","","0.71073","MoKα","","0.0296","0.0293","","","0.0649","0.065","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503365","9.4867","0.0018","9.7306","0.0018","12.954","0.002","73.327","0.004","75.438","0.004","65.863","0.003","1033","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cl N O -","- C26 H20 Cl N O -","- C52 H40 Cl2 N2 O2 -","2","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.1271","0.0789","","","0.2118","0.2487","","","","","","0.961","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503366","9.4628","0.0018","9.6755","0.0019","13.058","0.003","72.908","0.004","75.294","0.004","66.122","0.004","1032.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C52 H40 Br2 N2 O2 -","2","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.1208","0.0783","","","0.2108","0.2348","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503367","9.4903","0.001","9.643","0.001","13.3479","0.0014","72.081","0.002","74.873","0.002","66.58","0.002","1052.99","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 I N O -","- C26 H20 I N O -","- C52 H40 I2 N2 O2 -","2","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.1033","0.067","","","0.1869","0.2084","","","","","","1.081","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503368","9.9688","0.0019","10.288","0.002","12.266","0.002","82.418","0.004","68.134","0.004","61.305","0.003","1022.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cl N O -","- C26 H20 Cl N O -","- C52 H40 Cl2 N2 O2 -","2","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.0635","0.0412","","","0.084","0.0897","","","","","","0.884","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503369","22.235","0.009","9.365","0.004","9.955","0.004","90","","90","","90","","2072.9","1.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H20 Br N O -","- C26 H20 Br N O -","- C104 H80 Br4 N4 O4 -","4","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.1223","0.0679","","","0.1666","0.1896","","","","","","0.886","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503370","22.323","0.003","9.4696","0.0012","9.957","0.0013","90","","90","","90","","2104.8","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H20 I N O -","- C26 H20 I N O -","- C104 H80 I4 N4 O4 -","4","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.1017","0.0622","","","0.1481","0.1693","","","","","","0.922","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503371","10.1353","0.0014","10.2198","0.0014","11.055","0.0014","90","","90","","90","","1145.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C44 H56 Cl4 N4 O4 -","4","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.07","0.0503","","","0.1168","0.1254","","","","","","0.914","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503372","9.5284","0.0016","40.632","0.007","9.8789","0.0016","90","","95.384","0.004","90","","3807.8","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C156 H120 Cl24 N24 O12 -","12","3","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.182","0.0594","","","0.1215","0.1774","","","","","","0.763","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503373","8.5661","0.0007","9.3203","0.0007","30.749","0.002","90","","90","","90","","2455","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 I N O -","- C13 H10 I N O -","- C104 H80 I8 N8 O8 -","8","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.0554","0.0425","","","0.1123","0.1193","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503374","10.7778","0.0012","13.2754","0.0015","17.2895","0.0019","70.54","0.002","73.205","0.002","78.971","0.002","2220.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cl N O1.25 -","- C27 H20 Cl N O1.25 -","- C108 H80 Cl4 N4 O5 -","4","2","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.136","0.0639","","","0.1524","0.1749","","","","","","0.811","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503375","22.796","0.008","9.847","0.003","13.788","0.004","90","","108.889","0.009","90","","2928.3","1.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C136 H160 Cl8 N8 O8 -","8","2","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.1128","0.1015","","","0.2458","0.2562","","","","","","1.013","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503376","10.1851","0.001","12.2125","0.0013","19.5622","0.0019","76.602","0.006","87.89","0.007","67.321","0.006","2180.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cl2 Fe N6 O10 -","- C42 H50 Cl2 Fe N6 O10 -","- C84 H100 Cl4 Fe2 N12 O20 -","2","1","","Fernandes, Ricardo R.; Kirillov, Alexander M.; da Silva, M. Fátima C. Guedes; Ma, Zhen; da Silva, José A. L.; da Silva, João J. R. Fraústo; Pombeiro, Armando J. L.","An Infinite Two-Dimensional Hybrid Water−Chloride Network, Self-Assembled in a Hydrophobic Terpyridine Iron(II) Matrix","Crystal Growth & Design","2008","8","3","782","","10.1021/cg7010315","","","0.71073","MoKα","","0.0943","0.0469","","","0.0952","0.1121","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503377","9.152","0.003","12.333","0.004","13.34","0.006","65.6","0.04","71.2","0.04","76.03","0.04","1287.8","1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 N8 O11 Zn2 -","- C52 H56 N8 O11 Zn2 -","- C52 H56 N8 O11 Zn2 -","1","0.5","","Schaate, Andreas; Klingelhöfer, Stefan; Behrens, Peter; Wiebcke, Michael","Two Zinc(II) Coordination Polymers Constructed with Rigid 1,4-Benzenedicarboxylate and Flexible 1,4-Bis(imidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene Linkers: From Interpenetrating Layers to Templated 3D Frameworks","Crystal Growth & Design","2008","8","9","3200","","10.1021/cg701041k","","","0.71073","MoKα","","0.0528","0.0322","","","0.0593","0.0615","","","","","","0.96","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503378","8.473","0.003","10.154","0.003","13.397","0.003","68.21","0.03","78.64","0.03","77.46","0.04","1036.1","0.6","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 O6 Zn -","- C21 H18 N2 O6 Zn -","- C42 H36 N4 O12 Zn2 -","2","1","","Schaate, Andreas; Klingelhöfer, Stefan; Behrens, Peter; Wiebcke, Michael","Two Zinc(II) Coordination Polymers Constructed with Rigid 1,4-Benzenedicarboxylate and Flexible 1,4-Bis(imidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene Linkers: From Interpenetrating Layers to Templated 3D Frameworks","Crystal Growth & Design","2008","8","9","3200","","10.1021/cg701041k","","","0.71073","MoKα","","0.0516","0.0304","","","0.0569","0.0592","","","","","","0.967","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503379","8.886","0.0002","15.9228","0.0004","29.1087","0.0007","90","","90.3244","0.0011","90","","4118.52","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H21 F6 I6 N3 -","- C39 H21 F6 I6 N3 -","- C156 H84 F24 I24 N12 -","4","0.5","","Vartanian, Maida; Lucassen, André C. B.; Shimon, Linda J. W.; van der Boom, Milko E.","Cocrystallization of a Tripyridyl Donor with Perfluorinated Iodobenzene Derivatives: Formation of Different N···I Halogen Bonds Determining Network vs Plain Packing Crystals","Crystal Growth & Design","2008","8","3","786","","10.1021/cg701053d","","","0.71073","MoKα","","0.0512","0.0433","","","0.0885","0.0904","","","","","","1.243","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503380","18.799","0.0003","5.7056","0.0001","27.4972","0.0004","90","","99.1894","0.0008","90","","2911.49","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cl3 F2 I N3 -","- C31 H22 Cl3 F2 I N3 -","- C124 H88 Cl12 F8 I4 N12 -","4","1","","Vartanian, Maida; Lucassen, André C. B.; Shimon, Linda J. W.; van der Boom, Milko E.","Cocrystallization of a Tripyridyl Donor with Perfluorinated Iodobenzene Derivatives: Formation of Different N···I Halogen Bonds Determining Network vs Plain Packing Crystals","Crystal Growth & Design","2008","8","3","786","","10.1021/cg701053d","","","0.71073","MoKα","","0.0806","0.0682","","","0.1988","0.2106","","","","","","0.993","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503381","11.024","0.002","11.295","0.002","22.04","0.004","90","","96.15","0.03","90","","2728.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Co N8 O12 -","- C24 H20 Co N8 O12 -","- C96 H80 Co4 N32 O48 -","4","2","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","","0.71073","MoKα","","0.0719","0.0452","","","0.0935","0.1035","","","","","","1.018","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503382","11.275","0.002","8.8409","0.0018","15.945","0.005","90","","128.952","0.019","90","","1236","0.6","298","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H28 Cl2 Cu2 N8 -","- C20 H28 Cl2 Cu2 N8 -","- C40 H56 Cl4 Cu4 N16 -","2","1","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","x-ray","0.71073","MoKα","","0.0439","0.039","","","0.0996","0.1027","","","","","","1.072","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503383","18.399","0.004","15.088","0.003","24.678","0.008","90","","132.003","0.018","90","","5091","3","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Co N4 O6 -","- C26 H28 Co N4 O6 -","- C208 H224 Co8 N32 O48 -","8","2","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","","0.71073","MoKα","","0.1089","0.0537","","","0.1023","0.1192","","","","","","1.046","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503384","10.908","0.002","12.664","0.003","15.038","0.003","90","","100.02","0.03","90","","2045.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl Co N4 O2 -","- C21 H19 Cl Co N4 O2 -","- C84 H76 Cl4 Co4 N16 O8 -","4","1","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","","0.71073","MoKα","","0.0908","0.0491","","","0.0983","0.1111","","","","","","1.02","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503385","11.549","0.002","12.806","0.003","21.281","0.006","90","","116.56","0.02","90","","2815.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Co N4 O4 -","- C30 H28 Co N4 O4 -","- C120 H112 Co4 N16 O16 -","4","1","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","","0.71073","MoKα","","0.067","0.0393","","","0.0976","0.1074","","","","","","1.05","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503386","12.301","0.003","6.6095","0.0013","16.694","0.006","90","","112.97","0.02","90","","1249.7","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H22 Co N6 O8 -","- C24 H22 Co N6 O8 -","- C48 H44 Co2 N12 O16 -","2","0.5","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","","0.71073","MoKα","","0.0448","0.0345","","","0.0921","0.0964","","","","","","1.062","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503387","25.709","0.005","6.8939","0.0014","16.3","0.003","90","","121.44","0.03","90","","2464.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N6 Ni O8 -","- C24 H22 N6 Ni O8 -","- C96 H88 N24 Ni4 O32 -","4","0.5","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","x-ray","0.71073","MoKα","","0.0651","0.0437","","","0.0922","0.1006","","","","","","1.036","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503388","21.308","0.004","6.7964","0.0014","16.577","0.003","90","","96.71","0.03","90","","2384.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 N4 Ni O4 -","- C24 H22 Cl2 N4 Ni O4 -","- C96 H88 Cl8 N16 Ni4 O16 -","4","0.5","","Qi, Yan; Luo, Feng; Batten, Stuart R.; Che, Yun-Xia; Zheng, Ji-Min","Syntheses and Crystal Structures of a Series of Novel Helical Coordination Polymers Constructed from Flexible Bis(imidazole) Ligands and Metal Salts","Crystal Growth & Design","2008","8","8","2806","","10.1021/cg701061q","","x-ray","0.71073","MoKα","","0.1056","0.0371","","","0.0637","0.0722","","","","","","0.759","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503389","11.0142","0.0018","11.0142","0.0018","15.438","0.003","90","","90","","120","","1621.9","0.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C21 H30 Cl2 Fe N18 O8 -","- C21 H30 Cl2 Fe N18 O8 -","- C42 H60 Cl4 Fe2 N36 O16 -","2","0.166667","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.0813","0.0663","","","0.1549","0.1648","","","","","","1.144","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503390","10.9716","0.0015","10.9716","0.0015","15.291","0.003","90","","90","","120","","1594.1","0.4","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C21 H30 B2 F8 Fe N18 -","- C21 H30 B2 F8 Fe N18 -","- C42 H60 B4 F16 Fe2 N36 -","2","0.166667","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.0665","0.0482","","","0.1199","0.1266","","","","","","1.005","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503391","7.8691","0.0019","8.604","0.002","9.641","0.002","77.951","0.004","72.345","0.004","66.951","0.004","569.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Fe N14 S2 -","- C16 H20 Fe N14 S2 -","- C16 H20 Fe N14 S2 -","1","0.5","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.0455","0.0417","","","0.1136","0.116","","","","","","1.038","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503392","19.0617","0.0012","19.0617","0.0012","25.3297","0.0013","90","","90","","120","","7970.5","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Cl6 Fe3 N54 O24 -","- C72 H108 Cl6 Fe3 N54 O24 -","- C216 H324 Cl18 Fe9 N162 O72 -","3","0.166667","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.113","0.0608","","","0.1282","0.1451","","","","","","0.974","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503393","19.0308","0.0013","19.0308","0.0013","25.288","0.003","90","","90","","120","","7931.6","1.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 B6 F24 Fe3 N54 -","- C72 H108 B6 F24 Fe3 N54 -","- C216 H324 B18 F72 Fe9 N162 -","3","0.166667","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.2237","0.1082","","","0.1489","0.1879","","","","","","1.041","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503394","8.998","0.002","9.709","0.002","15.555","0.004","90","","91.066","0.004","90","","1358.7","0.5","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H26 Fe N14 O S2 -","- C18 H26 Fe N14 O S2 -","- C36 H52 Fe2 N28 O2 S4 -","2","0.5","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.0509","0.0434","","","0.122","0.1269","","","","","","1.039","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503395","7.6998","0.0017","9.434","0.002","10.527","0.002","114.725","0.003","90.979","0.003","96.368","0.004","688.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Fe N14 O2 Se2 -","- C18 H28 Fe N14 O2 Se2 -","- C18 H28 Fe N14 O2 Se2 -","1","0.5","","Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2008","8","4","1306","","10.1021/cg7010666","","","0.71073","MoKα","","0.0448","0.0371","","","0.0957","0.0992","","","","","","0.959","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503396","23.775","0.005","28.132","0.006","14.991","0.003","90","","90","","90","","10027","4","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C228 H364 Co24 N28 O184 -","- C228 H240 Co24 N28 O184 -","- C228 H240 Co24 N28 O184 -","1","0.125","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","A Ternary Metal−Organic Framework Built on Triangular Organic Spacers, Square and Tetrahedral Co2Secondary Building Units","Crystal Growth & Design","2008","8","1","176","","10.1021/cg701081s","","x-ray","0.71073","MoKα","","0.1261","0.1128","","","0.2964","0.306","","","","","","1.197","","","","has coordinates,has disorder","179564","2020-10-21","18:00:00",""
"4503397","23.862","0.005","28.479","0.01","15.041","0.003","90","","90","","90","","10221","5","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C114 H182 Co12 N14 O92 -","- C114 H108 Co12 N14 O92 -","- C228 H216 Co24 N28 O184 -","2","0.25","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","A Ternary Metal−Organic Framework Built on Triangular Organic Spacers, Square and Tetrahedral Co2Secondary Building Units","Crystal Growth & Design","2008","8","1","176","","10.1021/cg701081s","","x-ray","0.71073","MoKα","","0.0947","0.0866","","","0.2475","0.256","","","","","","1.077","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503398","22.8822","0.0004","32.7382","0.0006","16.746","0.0003","90","","133.1","","90","","9159.7","0.3","193","2","193","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C64 H104 Cl0.5 N24 O49.75 S4 -","- C64 H52 Cl0.5 N24 O49.76 S4 -","- C256 H208 Cl2 N96 O199.04 S16 -","4","0.5","","Lin, Rong-Guang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Directing Role of Hydrophobic−Hydrophobic and Hydrophilic−Hydrophilic Interactions in the Self-Assembly of Calixarenes/Cucurbiturils-Based Architectures","Crystal Growth & Design","2008","8","3","791","","10.1021/cg701084x","","","1.54178","CuKα","","0.0863","0.0809","","","0.2254","0.2338","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503399","55.6121","0.0004","55.6121","0.0004","24.2638","0.0003","90","","90","","90","","75040.8","1.2","223","2","223","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C78 H161.5 N30 O71.75 S6 -","- C78 H57 N30 O63.25 S6 -","- C1248 H912 N480 O1012 S96 -","16","0.5","","Lin, Rong-Guang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Directing Role of Hydrophobic−Hydrophobic and Hydrophilic−Hydrophilic Interactions in the Self-Assembly of Calixarenes/Cucurbiturils-Based Architectures","Crystal Growth & Design","2008","8","3","791","","10.1021/cg701084x","","","1.54178","CuKα","","0.1607","0.1077","","","0.2682","0.3246","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503400","9.9847","0.0008","9.9847","0.0008","61.68","0.008","90","","90","","90","","6149.1","1.1","273","2","273","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C272 H320 N32 -","16","1","","Huang, Xue-Feng; Fu, Da-Wei; Xiong, Ren-Gen","Copper(I) Bromide-Mediated Coupling of Imidazoles. Trapping and X-Ray Crystal Structures of the Reaction Intermediates","Crystal Growth & Design","2008","8","6","1795","","10.1021/cg701085c","","","0.71073","MoKα","","0.0895","0.0511","","","0.1028","0.1071","","","","","","1.093","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503401","11.0486","0.0007","15.485","0.001","16.3158","0.0011","102.043","0.001","102.727","0.001","94.078","0.002","2642.8","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H116 Br10 Cu10 N12 O -","- C102 H116 Br10 Cu10 N12 O -","- C102 H116 Br10 Cu10 N12 O -","1","0.5","","Huang, Xue-Feng; Fu, Da-Wei; Xiong, Ren-Gen","Copper(I) Bromide-Mediated Coupling of Imidazoles. Trapping and X-Ray Crystal Structures of the Reaction Intermediates","Crystal Growth & Design","2008","8","6","1795","","10.1021/cg701085c","","","0.71073","MoKα","","0.0883","0.0617","","","0.1507","0.1602","","","","","","1.061","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503402","7.5923","0.0017","18.203","0.004","30.102","0.007","90","","90","","90","","4160.2","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Br Cu N3 O4 -","- C21 H15 Br Cu N3 O4 -","- C168 H120 Br8 Cu8 N24 O32 -","8","1","","Huang, Xue-Feng; Fu, Da-Wei; Xiong, Ren-Gen","Copper(I) Bromide-Mediated Coupling of Imidazoles. Trapping and X-Ray Crystal Structures of the Reaction Intermediates","Crystal Growth & Design","2008","8","6","1795","1797","10.1021/cg701085c","","","0.71073","MoKα","","0.1023","0.0382","","","0.0807","0.0973","","","","","","0.702","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503403","8.2131","0.0007","9.7717","0.0008","15.4345","0.0013","90","","90","","90","","1238.71","0.18","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br3 N2 Pb -","- C6 H11 Br3 N2 Pb -","- C24 H44 Br12 N8 Pb4 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","Supramolecular Organization in Lead Bromide Salts of Imidazolium-Based Ionic Liquids","Crystal Growth & Design","2008","8","5","1640","","10.1021/cg7010875","","","0.71073","MoKα","","0.0399","0.0282","","","0.0563","0.06","","","","","","1.016","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503404","16.6041","0.0002","16.6041","0.0002","24.1297","0.0005","90","","90","","120","","5761.2","0.15","273","2","273","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H15 Br2 N2 Pb0.5 -","- C8 H15 Br2 N2 Pb0.5 -","- C144 H270 Br36 N36 Pb9 -","18","1","","Thirumurugan, A.; Rao, C. N. R.","Supramolecular Organization in Lead Bromide Salts of Imidazolium-Based Ionic Liquids","Crystal Growth & Design","2008","8","5","1640","","10.1021/cg7010875","","","0.71073","MoKα","","0.0348","0.0249","","","0.0605","0.0642","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503405","14.1298","0.0009","13.6795","0.0009","14.4505","0.0009","90","","104.132","0.001","90","","2708.6","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N8 O7 -","- C26 H32 N8 O7 -","- C104 H128 N32 O28 -","4","1","","Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin","Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip","Crystal Growth & Design","2008","8","5","1645","","10.1021/cg701090c","","","0.71073","MoKα","","0.1068","0.0652","","","0.1695","0.1894","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503406","9.075","0.0009","12.1333","0.0012","29.037","0.003","90","","90","","90","","3197.3","0.6","297","2","297","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C104 H128 Co2 N36 O52 -","- C104 H128 Co2 N36 O52 -","- C104 H128 Co2 N36 O52 -","1","0.125","","Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin","Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip","Crystal Growth & Design","2008","8","5","1645","","10.1021/cg701090c","","","0.71073","MoKα","","0.0588","0.0508","","","0.1304","0.1358","","","","","","1.035","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503407","12.144","0.0009","29.018","0.002","9.1399","0.0006","90","","90","","90","","3220.9","0.4","291","2","291","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C52 H78 N18 O27 Zn -","- C52 H78 N18 O27 Zn -","- C104 H156 N36 O54 Zn2 -","2","0.25","","Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin","Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip","Crystal Growth & Design","2008","8","5","1645","","10.1021/cg701090c","","","0.71073","MoKα","","0.0821","0.0695","","","0.1778","0.1883","","","","","","1.021","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503408","17.7642","0.0018","24.604","0.003","7.8229","0.0008","90","","99.176","0.002","90","","3375.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Cu I N9 O7 -","- C29 H37 Cu I N9 O7 -","- C116 H148 Cu4 I4 N36 O28 -","4","1","","Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin","Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip","Crystal Growth & Design","2008","8","5","1645","","10.1021/cg701090c","","","0.71073","MoKα","","0.0956","0.0623","","","0.1676","0.1877","","","","","","0.969","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503409","7.886","0.0012","13.799","0.002","33.903","0.005","90","","96.68","","90","","3664.2","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Cu2 N16 O26 -","- C60 H76 Cu2 N16 O26 -","- C120 H152 Cu4 N32 O52 -","2","0.5","","Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin","Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip","Crystal Growth & Design","2008","8","5","1645","","10.1021/cg701090c","","","0.71073","MoKα","","0.1182","0.0791","","","0.2009","0.2244","","","","","","1.009","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503410","6.7999","0.0006","21.193","0.002","8.5305","0.0004","90","","105.125","0.005","90","","1186.75","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Gd O10 -","- C6 H5 Gd O10 -","- C24 H20 Gd4 O40 -","4","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Pasán, Jorge; Delgado, Fernando S.; Déniz, Maríadel; Sepúlveda, Eliezer; Laz, María-Milagros; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal Engineering of Complexes of Propane-1,2,3-tricarboxylic Acid (H3tca) with Lanthanide(III) Cations†","Crystal Growth & Design","2008","8","4","1313","","10.1021/cg7010925","","x-ray","0.71073","MoKα","","0.1014","0.0685","","","0.1542","0.1763","","","","","","1.122","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503411","6.8138","0.0006","21.219","0.002","8.5434","0.001","90","","105.176","0.007","90","","1192.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Eu O10 -","- C6 H5 Eu O10 -","- C24 H20 Eu4 O40 -","4","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Pasán, Jorge; Delgado, Fernando S.; Déniz, Maríadel; Sepúlveda, Eliezer; Laz, María-Milagros; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal Engineering of Complexes of Propane-1,2,3-tricarboxylic Acid (H3tca) with Lanthanide(III) Cations†","Crystal Growth & Design","2008","8","4","1313","","10.1021/cg7010925","","x-ray","0.71073","MoKα","","0.0907","0.0502","","","0.0876","0.0983","","","","","","1.104","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503412","9.5386","0.0006","14.0679","0.0011","17.0679","0.0015","90","","97.466","0.007","90","","2270.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 La2 O21 -","- C12 H10 La2 O21 -","- C48 H40 La8 O84 -","4","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Pasán, Jorge; Delgado, Fernando S.; Déniz, Maríadel; Sepúlveda, Eliezer; Laz, María-Milagros; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal Engineering of Complexes of Propane-1,2,3-tricarboxylic Acid (H3tca) with Lanthanide(III) Cations†","Crystal Growth & Design","2008","8","4","1313","","10.1021/cg7010925","","x-ray","0.71073","MoKα","","0.0767","0.0389","","","0.0757","0.0873","","","","","","1.025","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503413","8.9432","0.0012","12.114","0.002","13.55","0.002","101.844","0.01","108.954","0.008","111.228","0.007","1204.3","0.4","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Dy N5 O13 -","- C18 H31 Dy N5 O13 -","- C36 H62 Dy2 N10 O26 -","2","1","","Zhu, Xiandong; Lü, Jian; Li, Xiaoju; Gao, Shuiying; Li, Guoliang; Xiao, Fuxian; Cao, Rong","Syntheses, Structures, Near-Infrared, and Visible Luminescence of Lanthanide-Organic Frameworks with Flexible Macrocyclic Polyamine Ligands","Crystal Growth & Design","2008","8","6","1897","","10.1021/cg701098t","","","0.71073","MoKα","","0.0354","0.032","","","0.0872","0.0954","","","","","","1.17","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503414","8.9506","0.0005","12.1202","0.0006","13.5301","0.0007","101.78","0.001","108.973","0.001","111.26","0.001","1204.12","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N5 O13 Y -","- C18 H31 N5 O13 Y -","- C36 H62 N10 O26 Y2 -","2","1","","Zhu, Xiandong; Lü, Jian; Li, Xiaoju; Gao, Shuiying; Li, Guoliang; Xiao, Fuxian; Cao, Rong","Syntheses, Structures, Near-Infrared, and Visible Luminescence of Lanthanide-Organic Frameworks with Flexible Macrocyclic Polyamine Ligands","Crystal Growth & Design","2008","8","6","1897","","10.1021/cg701098t","","","0.71073","MoKα","","0.0651","0.0566","","","0.1486","0.1617","","","","","","1.141","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503415","8.877","0.002","11.845","0.003","13.626","0.003","65.487","0.009","72.034","0.012","68.491","0.011","1192","0.5","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N5 Nd O13 -","- C18 H32 N5 Nd O13 -","- C36 H64 N10 Nd2 O26 -","2","1","","Zhu, Xiandong; Lü, Jian; Li, Xiaoju; Gao, Shuiying; Li, Guoliang; Xiao, Fuxian; Cao, Rong","Syntheses, Structures, Near-Infrared, and Visible Luminescence of Lanthanide-Organic Frameworks with Flexible Macrocyclic Polyamine Ligands","Crystal Growth & Design","2008","8","6","1897","","10.1021/cg701098t","","","0.71073","MoKα","","0.0432","0.0392","","","0.0934","0.1062","","","","","","1.156","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503416","8.8994","0.0012","11.8747","0.0015","13.5596","0.0019","65.094","0.007","71.784","0.009","68.418","0.009","1187.3","0.3","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Eu N5 O13 -","- C18 H30 Eu N5 O13 -","- C36 H60 Eu2 N10 O26 -","2","1","","Zhu, Xiandong; Lü, Jian; Li, Xiaoju; Gao, Shuiying; Li, Guoliang; Xiao, Fuxian; Cao, Rong","Syntheses, Structures, Near-Infrared, and Visible Luminescence of Lanthanide-Organic Frameworks with Flexible Macrocyclic Polyamine Ligands","Crystal Growth & Design","2008","8","6","1897","","10.1021/cg701098t","","","0.71073","MoKα","","0.0348","0.0306","","","0.0766","0.091","","","","","","1.172","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503417","8.9441","0.0003","12.0863","0.0004","13.5695","0.0004","101.594","0.001","108.78","0.001","111.399","0.001","1205.72","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N5 O13 Tb -","- C18 H28 N5 O13 Tb -","- C36 H56 N10 O26 Tb2 -","2","1","","Zhu, Xiandong; Lü, Jian; Li, Xiaoju; Gao, Shuiying; Li, Guoliang; Xiao, Fuxian; Cao, Rong","Syntheses, Structures, Near-Infrared, and Visible Luminescence of Lanthanide-Organic Frameworks with Flexible Macrocyclic Polyamine Ligands","Crystal Growth & Design","2008","8","6","1897","","10.1021/cg701098t","","","0.71073","MoKα","","0.0559","0.0489","","","0.1276","0.1437","","","","","","1.276","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503418","7.9884","0.0008","9.9682","0.001","10.9136","0.0011","85.141","0.002","76.697","0.002","75.294","0.002","817.71","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cu N2 O9 -","- C14 H18 Cu N2 O9 -","- C28 H36 Cu2 N4 O18 -","2","1","","Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Supramolecular Networks in Copper(II) Malonate Complexes","Crystal Growth & Design","2008","8","9","3219","","10.1021/cg701108c","","x-ray","0.71073","Mokα","","0.0434","0.0368","","","0.082","0.0843","","","","","","0.979","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503419","7.2233","0.0005","9.617","0.0005","11.4125","0.0009","87.67","0.006","71.7","0.006","74.751","0.005","725.43","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cu N3 O6 -","- C13 H15 Cu N3 O6 -","- C26 H30 Cu2 N6 O12 -","2","1","","Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Supramolecular Networks in Copper(II) Malonate Complexes","Crystal Growth & Design","2008","8","9","3219","","10.1021/cg701108c","","x-ray","0.71073","Mokα","","0.057","0.0366","","","0.0775","0.0869","","","","","","0.987","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503420","7.0083","0.0008","10.2625","0.0016","10.3339","0.0012","103.012","0.009","103.305","0.009","106.116","0.01","660.83","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Cu N3 O6 -","- C11 H9 Cu N3 O6 -","- C22 H18 Cu2 N6 O12 -","2","1","","Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Supramolecular Networks in Copper(II) Malonate Complexes","Crystal Growth & Design","2008","8","9","3219","","10.1021/cg701108c","","x-ray","0.71073","Mokα","","0.1234","0.0675","","","0.1078","0.1234","","","","","","1.096","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503421","16.9047","0.0012","9.6083","0.001","23.0491","0.0012","90","","90.906","0.007","90","","3743.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cu N4 O6.5 -","- C17 H12 Cu N4 O6.5 -","- C136 H96 Cu8 N32 O52 -","8","1","","Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Supramolecular Networks in Copper(II) Malonate Complexes","Crystal Growth & Design","2008","8","9","3219","","10.1021/cg701108c","","x-ray","0.71073","Mokα","","0.1264","0.0734","","","0.156","0.176","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503422","8.0697","0.0005","11.0207","0.0006","17.6506","0.0008","88.248","0.004","79.767","0.004","75.981","0.006","1498.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cu N2 O6 -","- C15 H14 Cu N2 O6 -","- C60 H56 Cu4 N8 O24 -","4","2","","Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Supramolecular Networks in Copper(II) Malonate Complexes","Crystal Growth & Design","2008","8","9","3219","","10.1021/cg701108c","","x-ray","0.71073","Mokα","","0.064","0.0349","","","0.0712","0.0799","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503423","7.986","0.0002","39.54","0.0016","10.227","0.0005","90","","98.71","0.003","90","","3192.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cu2 N6 O15 -","- C27 H18 Cu2 N6 O15 -","- C108 H72 Cu8 N24 O60 -","4","1","","Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Supramolecular Networks in Copper(II) Malonate Complexes","Crystal Growth & Design","2008","8","9","3219","","10.1021/cg701108c","","x-ray","0.71073","Mokα","","0.1004","0.0559","","","0.122","0.1378","","","","","","1.088","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503424","25.381","0.016","10.696","0.007","25.552","0.016","90","","110.225","0.009","90","","6509","7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H67 N9 O22 P4 Zn2 -","- C62 H66 N9 O22 P4 Zn2 -","- C248 H264 N36 O88 P16 Zn8 -","4","0.5","","Chen, Shuo-ping; Huang, Guang-xi; Li, Ming; Pan, Ling-ling; Yuan, Yi-xuan; Yuan, Liang-jie","Newin SituCondensation Reaction of Amino Diphosphonic Acids: A Series of Bicyclic Phosphonate Derivatives and Three Novel Water Clusters","Crystal Growth & Design","2008","8","8","2824","","10.1021/cg7011149","","","0.71073","MoKα","","0.0652","0.049","","","0.148","0.1579","","","","","","1.066","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503425","12.8261","0.0008","16.6458","0.0011","17.1892","0.0011","64.065","0.001","79.105","0.001","73.958","0.001","3161.9","0.4","298","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H152 N42 Ni3 O44 P8 -","- C72 H152 N42 Ni3 O44 P8 -","- C72 H152 N42 Ni3 O44 P8 -","1","0.5","","Chen, Shuo-ping; Huang, Guang-xi; Li, Ming; Pan, Ling-ling; Yuan, Yi-xuan; Yuan, Liang-jie","Newin SituCondensation Reaction of Amino Diphosphonic Acids: A Series of Bicyclic Phosphonate Derivatives and Three Novel Water Clusters","Crystal Growth & Design","2008","8","8","2824","","10.1021/cg7011149","","","0.71073","MoKα","","0.0676","0.0532","","","0.1698","0.1799","","","","","","1.084","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503426","10.8584","0.0006","18.9394","0.0011","24.3047","0.0014","90","","92.812","0.001","90","","4992.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 Cu2 N5 O21 P4 -","- C40 H53 Cu2 N5 O21 P4 -","- C160 H212 Cu8 N20 O84 P16 -","4","1","","Chen, Shuo-ping; Huang, Guang-xi; Li, Ming; Pan, Ling-ling; Yuan, Yi-xuan; Yuan, Liang-jie","Newin SituCondensation Reaction of Amino Diphosphonic Acids: A Series of Bicyclic Phosphonate Derivatives and Three Novel Water Clusters","Crystal Growth & Design","2008","8","8","2824","","10.1021/cg7011149","","","0.71073","MoKα","","0.073","0.0534","","","0.1719","0.1826","","","","","","1.201","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503427","8.6086","0.0005","14.0222","0.0008","16.3218","0.0009","107.026","0.001","93.35","0.001","101.663","0.001","1830.37","0.18","298","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H39 N13 Ni2 O9 P2 -","- C26 H39 N13 Ni2 O9 P2 -","- C52 H78 N26 Ni4 O18 P4 -","2","1","","Chen, Shuo-ping; Huang, Guang-xi; Li, Ming; Pan, Ling-ling; Yuan, Yi-xuan; Yuan, Liang-jie","Newin SituCondensation Reaction of Amino Diphosphonic Acids: A Series of Bicyclic Phosphonate Derivatives and Three Novel Water Clusters","Crystal Growth & Design","2008","8","8","2824","","10.1021/cg7011149","","","0.71073","MoKα","","0.0431","0.0344","","","0.0916","0.0962","","","","","","1.111","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503428","8.873","0.006","9.049","0.004","19.178","0.01","90.04","0.04","96.74","0.04","94.99","0.04","1523.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H72 Cu2 N16 O14 -","- C58 H72 Cu2 N16 O14 -","- C58 H72 Cu2 N16 O14 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.0582","0.0382","","","0.089","0.0966","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503429","8.6238","0.0017","9.5937","0.0019","12.022","0.002","110.52","0.03","103.4","0.03","91.34","0.03","900.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cu N8 O6 -","- C40 H34 Cu N8 O6 -","- C40 H34 Cu N8 O6 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.0707","0.0544","","","0.1684","0.1813","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503430","13.915","0.003","9.6531","0.0019","17.322","0.004","90","","96.56","0.03","90","","2311.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Cu N4 O10 -","- C19 H27 Cu N4 O10 -","- C76 H108 Cu4 N16 O40 -","4","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.1494","0.0465","","","0.1078","0.126","","","","","","0.773","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503431","8.5953","0.0017","9.2493","0.0018","13.537","0.003","93.47","0.03","103.54","0.03","95.16","0.03","1038.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 Cu N8 O10 -","- C38 H56 Cu N8 O10 -","- C38 H56 Cu N8 O10 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.0717","0.0516","","","0.1467","0.1718","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503432","8.6728","0.0017","8.7479","0.0017","13.418","0.003","91.98","0.03","93.34","0.03","98.97","0.03","1002.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Cu2 N8 O13 -","- C36 H42 Cu2 N8 O13 -","- C36 H42 Cu2 N8 O13 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.0892","0.0456","","","0.1068","0.1267","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503433","9.0079","0.0018","15.629","0.003","14.264","0.003","90","","106.02","0.03","90","","1930.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N4 O5 -","- C18 H18 Cu N4 O5 -","- C72 H72 Cu4 N16 O20 -","4","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.2142","0.0692","","","0.1487","0.1827","","","","","","0.78","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503434","10.081","0.002","15.983","0.003","13.27","0.003","90","","108.6","0.03","90","","2026.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cu N4 O4.5 -","- C22 H19 Cu N4 O4.5 -","- C88 H76 Cu4 N16 O18 -","4","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.0729","0.0335","","","0.0451","0.0482","","","","","","0.898","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503435","12.245","0.002","12.559","0.003","12.983","0.003","103.75","0.03","98.64","0.03","118.67","0.03","1617.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H38 Cu N8 O8 -","- C29 H38 Cu N8 O8 -","- C58 H76 Cu2 N16 O16 -","2","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.1146","0.05","","","0.1058","0.1211","","","","","","0.844","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503436","8.6401","0.0017","13.569","0.003","13.734","0.003","82.65","0.03","71.95","0.03","89.35","0.03","1517.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H62 Cu2 N12 O14 -","- C58 H50 Cu2 N12 O14 -","- C58 H50 Cu2 N12 O14 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.","A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide","Crystal Growth & Design","2008","8","12","4383","","10.1021/cg701119g","","","0.71073","MoKα","","0.1564","0.0701","","","0.1579","0.1893","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503437","12.46","0.003","15.047","0.003","12.597","0.003","90","","92.04","0.03","90","","2360.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Co2 N8 O13 -","- C36 H40 Co2 N8 O13 -","- C72 H80 Co4 N16 O26 -","2","0.5","","Qi, Yan; Che, Yunxia; Luo, Feng; Batten, Stuart R.; Liu, Yang; Zheng, Jimin","A Variety of 1D to 3D Metal−Organic Coordination Architectures Assembled with 1,1′-(2,2′-Oxybis(ethane-2,1-diyl))bis(1H-imidazole)","Crystal Growth & Design","2008","8","5","1654","","10.1021/cg7011217","","x-ray","0.71073","MoKα","","0.1019","0.096","","","0.3121","0.3208","","","","","","1.302","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503438","9.4863","0.0019","10.932","0.002","11.247","0.002","100.51","0.03","101.15","0.03","112.01","0.03","1018.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N12 O18 Zn2 -","- C36 H32 N12 O18 Zn2 -","- C36 H32 N12 O18 Zn2 -","1","0.5","","Qi, Yan; Che, Yunxia; Luo, Feng; Batten, Stuart R.; Liu, Yang; Zheng, Jimin","A Variety of 1D to 3D Metal−Organic Coordination Architectures Assembled with 1,1′-(2,2′-Oxybis(ethane-2,1-diyl))bis(1H-imidazole)","Crystal Growth & Design","2008","8","5","1654","","10.1021/cg7011217","","x-ray","0.71073","MoKα","","0.0865","0.0699","","","0.2027","0.2175","","","","","","1.082","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503439","17.935","0.003","11.1424","0.0017","21.448","0.003","90","","99.335","0.003","90","","4229.4","1.1","294","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 N8 O13 Zn2 -","- C36 H36 N8 O13 Zn2 -","- C144 H144 N32 O52 Zn8 -","4","0.5","","Qi, Yan; Che, Yunxia; Luo, Feng; Batten, Stuart R.; Liu, Yang; Zheng, Jimin","A Variety of 1D to 3D Metal−Organic Coordination Architectures Assembled with 1,1′-(2,2′-Oxybis(ethane-2,1-diyl))bis(1H-imidazole)","Crystal Growth & Design","2008","8","5","1654","","10.1021/cg7011217","","x-ray","0.71073","MoKα","","0.0931","0.0524","","","0.1384","0.1611","","","","","","1.015","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503440","10.65","0.002","10.969","0.002","11.246","0.002","111.27","0.03","95.99","0.03","117.55","0.03","1024.9","0.7","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Co2 N4 O8 -","- C19 H18 Co2 N4 O8 -","- C38 H36 Co4 N8 O16 -","2","1","","Qi, Yan; Che, Yunxia; Luo, Feng; Batten, Stuart R.; Liu, Yang; Zheng, Jimin","A Variety of 1D to 3D Metal−Organic Coordination Architectures Assembled with 1,1′-(2,2′-Oxybis(ethane-2,1-diyl))bis(1H-imidazole)","Crystal Growth & Design","2008","8","5","1654","","10.1021/cg7011217","","x-ray","0.71073","MoKα","","0.074","0.0456","","","0.0905","0.101","","","","","","1.021","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503441","18.281","0.004","13.951","0.003","13.26","0.003","90","","102.23","0.03","90","","3305.1","1.3","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Co4 N16 O21 -","- C60 H62 Co4 N16 O21 -","- C120 H124 Co8 N32 O42 -","2","0.5","","Qi, Yan; Che, Yunxia; Luo, Feng; Batten, Stuart R.; Liu, Yang; Zheng, Jimin","A Variety of 1D to 3D Metal−Organic Coordination Architectures Assembled with 1,1′-(2,2′-Oxybis(ethane-2,1-diyl))bis(1H-imidazole)","Crystal Growth & Design","2008","8","5","1654","","10.1021/cg7011217","","x-ray","0.71073","MoKα","","0.1592","0.0887","","","0.1958","0.2416","","","","","","0.909","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503442","7.0214","0.0014","19.292","0.004","13.871","0.003","90","","94.98","0.03","90","","1871.8","0.7","293","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Co N4 O5 -","- C18 H18 Co N4 O5 -","- C72 H72 Co4 N16 O20 -","4","0.5","","Qi, Yan; Che, Yunxia; Luo, Feng; Batten, Stuart R.; Liu, Yang; Zheng, Jimin","A Variety of 1D to 3D Metal−Organic Coordination Architectures Assembled with 1,1′-(2,2′-Oxybis(ethane-2,1-diyl))bis(1H-imidazole)","Crystal Growth & Design","2008","8","5","1654","","10.1021/cg7011217","","x-ray","0.71073","MoKα","","0.0327","0.0281","","","0.0705","0.0727","","","","","","1.072","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503443","8.5363","0.0017","10.273","0.002","10.811","0.002","98.53","0.03","100.1","0.03","94.88","0.03","917","0.3","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Cd2 N8 O10 -","- C36 H36 Cd2 N8 O10 -","- C36 H36 Cd2 N8 O10 -","1","0.5","","Qi, Yan; Che, Yunxia; Luo, Feng; Batten, Stuart R.; Liu, Yang; Zheng, Jimin","A Variety of 1D to 3D Metal−Organic Coordination Architectures Assembled with 1,1′-(2,2′-Oxybis(ethane-2,1-diyl))bis(1H-imidazole)","Crystal Growth & Design","2008","8","5","1654","","10.1021/cg7011217","","x-ray","0.71073","MoKα","","0.0256","0.0238","","","0.0657","0.0785","","","","","","1.19","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503444","5.1254","0.0002","9.3683","0.0003","31.5145","0.001","90","","90","","90","","1513.21","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N5 O6 -","- C12 H21 N5 O6 -","- C48 H84 N20 O24 -","4","1","","Srinivasan, P.; Vidyalakshmi, Y.; Gopalakrishnan, R.","Studies on the Synthesis, Growth, Crystal Structure, and Nonlinear Optical Properties of a Novel Nonlinear Optical Crystal:l-Argininium-4-nitro Phenolate Monohydrate (LARP)","Crystal Growth & Design","2008","8","7","2329","","10.1021/cg701126t","","","0.71073","MoKα","","0.0463","0.0408","","","0.1082","0.1118","","","","","","1.085","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503445","9.6701","0.0019","11.742","0.002","18.852","0.004","90","","97.91","0.03","90","","2120.2","0.7","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C74 H56 Cu8 Mo2 N15 S8 -","- C74 H56 Cu8 Mo2 N15 S8 -","- C74 H56 Cu8 Mo2 N15 S8 -","1","0.25","","Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Abrahams, Brendan F.","Stepwise Guest Exchange in a Cluster-Supported Three-Dimensional Host","Crystal Growth & Design","2008","8","2","399","","10.1021/cg701131t","","","0.71073","MoKα","","0.1176","0.0921","","","0.2014","0.2144","","","","","","1.207","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503446","9.625","0.0019","11.78","0.002","18.714","0.004","90","","98.18","0.03","90","","2100.3","0.7","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 Cu4 Mo N8 S4 -","- C37 H28 Cu4 Mo N8 S4 -","- C74 H56 Cu8 Mo2 N16 S8 -","2","0.5","","Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Abrahams, Brendan F.","Stepwise Guest Exchange in a Cluster-Supported Three-Dimensional Host","Crystal Growth & Design","2008","8","2","399","","10.1021/cg701131t","","","0.71073","MoKα","","0.086","0.0745","","","0.2105","0.2231","","","","","","1.115","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503447","9.6362","0.0019","11.462","0.002","19.147","0.004","90","","97.98","0.03","90","","2094.3","0.7","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C33 H28 Cu4 Mo N8 O S4 -","- C33 H28 Cu4 Mo N8 O S4 -","- C66 H56 Cu8 Mo2 N16 O2 S8 -","2","0.5","","Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Abrahams, Brendan F.","Stepwise Guest Exchange in a Cluster-Supported Three-Dimensional Host","Crystal Growth & Design","2008","8","2","399","","10.1021/cg701131t","","","0.71073","MoKα","","0.1084","0.0885","","","0.2155","0.2287","","","","","","1.126","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503448","25.215","0.005","5.7711","0.0012","18.858","0.004","90","","124.15","0.03","90","","2271","1.1","293","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Dy2 O16 S3 -","- C18 H14 Dy2 O16 S3 -","- C72 H56 Dy8 O64 S12 -","4","0.5","","Wang, Jin-Gen; Huang, Chang-Cang; Huang, Xi-He; Liu, Dong-Sheng","Three-Dimensional Lanthanide Thiophenedicarboxylate Framework with an Unprecedented (4,5)-Connected Topology","Crystal Growth & Design","2008","8","3","795","","10.1021/cg7011342","","","0.71073","MoKα","","0.0331","0.0264","","","0.0625","0.0643","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503449","25.132","0.0007","5.7534","0.0002","18.7976","0.0005","90","","124.153","0.0013","90","","2249.28","0.12","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Ho2 O16 S3 -","- C18 H14 Ho2 O16 S3 -","- C72 H56 Ho8 O64 S12 -","4","0.5","","Wang, Jin-Gen; Huang, Chang-Cang; Huang, Xi-He; Liu, Dong-Sheng","Three-Dimensional Lanthanide Thiophenedicarboxylate Framework with an Unprecedented (4,5)-Connected Topology","Crystal Growth & Design","2008","8","3","795","","10.1021/cg7011342","","","0.71073","MoKα","","0.0226","0.0211","","","0.052","0.0528","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503450","25.158","0.002","5.7475","0.0005","18.8033","0.0017","90","","124.187","0.002","90","","2249.1","0.3","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Er2 O16 S3 -","- C18 H14 Er2 O16 S3 -","- C72 H56 Er8 O64 S12 -","4","0.5","","Wang, Jin-Gen; Huang, Chang-Cang; Huang, Xi-He; Liu, Dong-Sheng","Three-Dimensional Lanthanide Thiophenedicarboxylate Framework with an Unprecedented (4,5)-Connected Topology","Crystal Growth & Design","2008","8","3","795","","10.1021/cg7011342","","","0.71073","MoKα","","0.0325","0.0255","","","0.0589","0.061","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503451","11.626","0.003","11.192","0.003","15.631","0.004","90","","110.536","0.005","90","","1904.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N4 O12 Zn3 -","- C44 H34 N4 O12 Zn3 -","- C88 H68 N8 O24 Zn6 -","2","0.5","","Liu, Guang-Xiang; Huang, Yong-Qing; Chu, Qian; Okamura, Taka-aki; Sun, Wei-Yin; Liang, Hong; Ueyama, Norikazu","Effect ofN-Donor Ancillary Ligands on Supramolecular Architectures of a Series of Zinc(II) and Cadmium(II) Complexes with Flexible Tricarboxylate","Crystal Growth & Design","2008","8","9","3233","","10.1021/cg701137d","","","0.71073","MoKα","","0.0413","0.0338","","","0.0799","0.0822","","","","","","1.004","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503452","9.6558","0.0012","9.8429","0.0012","13.4437","0.0016","105.134","0.002","104.42","0.002","104.882","0.002","1121.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 N4 O14 Zn3 -","- C48 H38 N4 O14 Zn3 -","- C48 H38 N4 O14 Zn3 -","1","0.5","","Liu, Guang-Xiang; Huang, Yong-Qing; Chu, Qian; Okamura, Taka-aki; Sun, Wei-Yin; Liang, Hong; Ueyama, Norikazu","Effect ofN-Donor Ancillary Ligands on Supramolecular Architectures of a Series of Zinc(II) and Cadmium(II) Complexes with Flexible Tricarboxylate","Crystal Growth & Design","2008","8","9","3233","","10.1021/cg701137d","","","0.71073","MoKα","","0.101","0.0734","","","0.1524","0.1657","","","","","","1.089","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503453","10.4037","0.0009","15.0027","0.0013","16.842","0.0014","90","","106.46","0.002","90","","2521","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O9 Zn2 -","- C24 H26 N2 O9 Zn2 -","- C96 H104 N8 O36 Zn8 -","4","1","","Liu, Guang-Xiang; Huang, Yong-Qing; Chu, Qian; Okamura, Taka-aki; Sun, Wei-Yin; Liang, Hong; Ueyama, Norikazu","Effect ofN-Donor Ancillary Ligands on Supramolecular Architectures of a Series of Zinc(II) and Cadmium(II) Complexes with Flexible Tricarboxylate","Crystal Growth & Design","2008","8","9","3233","","10.1021/cg701137d","","","0.71073","MoKα","","0.0406","0.0332","","","0.0895","0.0924","","","","","","1.07","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503454","9.271","0.0011","10.4023","0.0012","14.4362","0.0017","71.676","0.002","81.677","0.002","66.02","0.002","1207.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O7 Zn2 -","- C25 H24 N2 O7 Zn2 -","- C50 H48 N4 O14 Zn4 -","2","1","","Liu, Guang-Xiang; Huang, Yong-Qing; Chu, Qian; Okamura, Taka-aki; Sun, Wei-Yin; Liang, Hong; Ueyama, Norikazu","Effect ofN-Donor Ancillary Ligands on Supramolecular Architectures of a Series of Zinc(II) and Cadmium(II) Complexes with Flexible Tricarboxylate","Crystal Growth & Design","2008","8","9","3233","","10.1021/cg701137d","","","0.71073","MoKα","","0.0405","0.0345","","","0.0867","0.0892","","","","","","1.052","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503455","12.441","0.002","15.431","0.003","18.068","0.003","90","","98.272","0.004","90","","3432.6","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cd2 Cl N4 O12 -","- C32 H27 Cd2 Cl N4 O11.998 -","- C128 H108 Cd8 Cl4 N16 O47.992 -","4","1","","Liu, Guang-Xiang; Huang, Yong-Qing; Chu, Qian; Okamura, Taka-aki; Sun, Wei-Yin; Liang, Hong; Ueyama, Norikazu","Effect ofN-Donor Ancillary Ligands on Supramolecular Architectures of a Series of Zinc(II) and Cadmium(II) Complexes with Flexible Tricarboxylate","Crystal Growth & Design","2008","8","9","3233","","10.1021/cg701137d","","","0.71073","MoKα","","0.0998","0.0545","","","0.0943","0.1063","","","","","","0.89","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503456","9.4888","0.0016","9.7903","0.0015","12.949","0.002","71.607","0.004","68.933","0.004","78.04","0.004","1059.2","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cd3 N4 O14 -","- C44 H34 Cd3 N4 O14 -","- C44 H34 Cd3 N4 O14 -","1","0.5","","Liu, Guang-Xiang; Huang, Yong-Qing; Chu, Qian; Okamura, Taka-aki; Sun, Wei-Yin; Liang, Hong; Ueyama, Norikazu","Effect ofN-Donor Ancillary Ligands on Supramolecular Architectures of a Series of Zinc(II) and Cadmium(II) Complexes with Flexible Tricarboxylate","Crystal Growth & Design","2008","8","9","3233","","10.1021/cg701137d","","","0.71075","MoKα","","0.1046","0.0934","","","0.2915","0.2955","","","","","","1.169","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503457","11.0178","0.0016","13.8102","0.0019","9.0227","0.0013","90","","107.476","0.002","90","","1309.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cd3 O14 -","- C24 H22 Cd3 O14 -","- C48 H44 Cd6 O28 -","2","0.5","","Liu, Guang-Xiang; Huang, Yong-Qing; Chu, Qian; Okamura, Taka-aki; Sun, Wei-Yin; Liang, Hong; Ueyama, Norikazu","Effect ofN-Donor Ancillary Ligands on Supramolecular Architectures of a Series of Zinc(II) and Cadmium(II) Complexes with Flexible Tricarboxylate","Crystal Growth & Design","2008","8","9","3233","","10.1021/cg701137d","","","0.71073","MoKα","","0.0501","0.0384","","","0.0762","0.0792","","","","","","1.003","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503458","21.339","0.008","5.714","0.002","8.9","0.003","90","","90.529","0.005","90","","1085.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 S4 -","- C26 H16 N2 S4 -","- C52 H32 N4 S8 -","2","0.5","","Yue, Wei; Tian, HongKun; Hu, Ninghai; Geng, Yanhou; Wang, Fosong","Crystal Packing Motifs of Oligothiophenes End-Capped withN-Containing Aryls","Crystal Growth & Design","2008","8","7","2352","","10.1021/cg701148z","","","0.71073","MoKα","","0.0471","0.0369","","","0.0973","0.1041","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503459","9.75","0.002","16.272","0.003","27.749","0.006","90","","91.229","0.003","90","","4401.4","1.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H16 N2 S4 -","- C26 H16 N2 S4 -","- C208 H128 N16 S32 -","8","2","","Yue, Wei; Tian, HongKun; Hu, Ninghai; Geng, Yanhou; Wang, Fosong","Crystal Packing Motifs of Oligothiophenes End-Capped withN-Containing Aryls","Crystal Growth & Design","2008","8","7","2352","","10.1021/cg701148z","","","0.71073","MoKα","","0.0386","0.0349","","","0.0884","0.0918","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503460","23.49","0.003","7.7172","0.001","5.9857","0.0008","90","","94.968","0.002","90","","1081","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 S4 -","- C26 H16 N2 S4 -","- C52 H32 N4 S8 -","2","0.5","","Yue, Wei; Tian, HongKun; Hu, Ninghai; Geng, Yanhou; Wang, Fosong","Crystal Packing Motifs of Oligothiophenes End-Capped withN-Containing Aryls","Crystal Growth & Design","2008","8","7","2352","","10.1021/cg701148z","","","0.71073","MoKα","","0.0436","0.035","","","0.0937","0.1005","","","","","","0.996","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503461","6.1928","0.0011","8.2608","0.0014","9.9612","0.0017","85.299","0.002","75.535","0.002","76.1","0.002","478.86","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N2 S2 -","- C26 H16 N2 S2 -","- C26 H16 N2 S2 -","1","0.5","","Yue, Wei; Tian, HongKun; Hu, Ninghai; Geng, Yanhou; Wang, Fosong","Crystal Packing Motifs of Oligothiophenes End-Capped withN-Containing Aryls","Crystal Growth & Design","2008","8","7","2352","","10.1021/cg701148z","","","0.71073","MoKα","","0.0351","0.0326","","","0.0872","0.0902","","","","","","1.081","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503462","21.688","0.004","5.9423","0.001","17.939","0.003","90","","97.188","0.003","90","","2293.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N2 S3 -","- C30 H18 N2 S3 -","- C120 H72 N8 S12 -","4","1","","Yue, Wei; Tian, HongKun; Hu, Ninghai; Geng, Yanhou; Wang, Fosong","Crystal Packing Motifs of Oligothiophenes End-Capped withN-Containing Aryls","Crystal Growth & Design","2008","8","7","2352","","10.1021/cg701148z","","","0.71073","MoKα","","0.0852","0.0489","","","0.122","0.15","","","","","","0.803","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503463","16.9793","0.0014","9.1033","0.0008","27.391","0.002","90","","98.782","0.001","90","","4184.1","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H64 Cl2 N8 O6 -","- C36 H64 Cl2 N8 O6 -","- C144 H256 Cl8 N32 O24 -","4","0.5","","Lakshminarayanan, P. S.; Ravikumar, I.; Suresh, Eringathodi; Ghosh, Pradyut","Molecular Recognition Studies of an Octaaminocryptand upon Different Degree of Protonation","Crystal Growth & Design","2008","8","8","2842","","10.1021/cg701152v","","","0.71073","MoKα","","0.082","0.0636","","","0.1516","0.161","","","","","","1.076","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503464","12.7491","0.0009","11.7037","0.0008","28.784","0.002","90","","90.449","0.001","90","","4294.8","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C72 H112 I4 N16 O10 -","- C72 H112 I4 N16 O10 -","- C144 H224 I8 N32 O20 -","2","1","","Lakshminarayanan, P. S.; Ravikumar, I.; Suresh, Eringathodi; Ghosh, Pradyut","Molecular Recognition Studies of an Octaaminocryptand upon Different Degree of Protonation","Crystal Growth & Design","2008","8","8","2842","","10.1021/cg701152v","","","0.71073","MoKα","","0.0703","0.0674","","","0.18","0.183","","","","","","1.095","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503465","15.6852","0.001","27.582","0.0018","20.0607","0.0013","90","","95.316","0.001","90","","8641.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H118 I6 N16 O5 -","- C72 H118 I6 N16 O5 -","- C288 H472 I24 N64 O20 -","4","1","","Lakshminarayanan, P. S.; Ravikumar, I.; Suresh, Eringathodi; Ghosh, Pradyut","Molecular Recognition Studies of an Octaaminocryptand upon Different Degree of Protonation","Crystal Growth & Design","2008","8","8","2842","","10.1021/cg701152v","","","0.71073","MoKα","","0.0531","0.0408","","","0.0987","0.1097","","","","","","1.082","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503466","11.6884","0.0008","14.0632","0.001","46.042","0.003","90","","91.936","0.001","90","","7563.9","0.9","100","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H63 N22 O30.5 -","- C64 H63 N22 O30.5 -","- C256 H252 N88 O122 -","4","1","","Lakshminarayanan, P. S.; Ravikumar, I.; Suresh, Eringathodi; Ghosh, Pradyut","Molecular Recognition Studies of an Octaaminocryptand upon Different Degree of Protonation","Crystal Growth & Design","2008","8","8","2842","","10.1021/cg701152v","","","0.71073","MoKα","","0.0778","0.0615","","","0.1542","0.1648","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503467","12.9944","0.0018","13.839","0.002","19.109","0.003","80.371","0.002","86.634","0.002","62.009","0.002","2990.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H62 I8 N8 O9 -","- C36 H62 I8 N8 O9 -","- C72 H124 I16 N16 O18 -","2","1","","Lakshminarayanan, P. S.; Ravikumar, I.; Suresh, Eringathodi; Ghosh, Pradyut","Molecular Recognition Studies of an Octaaminocryptand upon Different Degree of Protonation","Crystal Growth & Design","2008","8","8","2842","","10.1021/cg701152v","","","0.71073","MoKα","","0.1307","0.0864","","","0.2102","0.2361","","","","","","1.027","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4503468","9.4902","0.0005","16.5949","0.0009","10.4733","0.0006","90","","90.372","0.001","90","","1649.39","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N2 Ni O4 -","- C20 H12 N2 Ni O4 -","- C80 H48 N8 Ni4 O16 -","4","1","","Hu, Sheng; Zou, Hua-Hong; Zeng, Ming-Hua; Wang, Qiang-Xin; Liang, Hong","Molecular Packing Variation of Crimpled 2D Layers and 3D Uncommon 65.8 Topology: Effect of Ligand on the Construction of Metal−Quinoline-6-carboxylate Polymers","Crystal Growth & Design","2008","8","7","2346","","10.1021/cg701153z","","","0.71073","MoKα","","0.0324","0.0289","","","0.0784","0.0806","","","","","","1.058","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503469","9.45","0.003","14.239","0.004","24.811","0.006","90","","96.082","0.005","90","","3319.7","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 N4 O8 Zn2 -","- C40 H24 N4 O8 Zn2 -","- C160 H96 N16 O32 Zn8 -","4","1","","Hu, Sheng; Zou, Hua-Hong; Zeng, Ming-Hua; Wang, Qiang-Xin; Liang, Hong","Molecular Packing Variation of Crimpled 2D Layers and 3D Uncommon 65.8 Topology: Effect of Ligand on the Construction of Metal−Quinoline-6-carboxylate Polymers","Crystal Growth & Design","2008","8","7","2346","","10.1021/cg701153z","","","0.71073","MoKα","","0.0668","0.037","","","0.0761","0.0864","","","","","","1.051","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503470","9.4854","0.0007","14.1581","0.0009","24.8278","0.0017","90","","94.75","0.001","90","","3322.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Co2 N4 O8 -","- C40 H24 Co2 N4 O8 -","- C160 H96 Co8 N16 O32 -","4","1","","Hu, Sheng; Zou, Hua-Hong; Zeng, Ming-Hua; Wang, Qiang-Xin; Liang, Hong","Molecular Packing Variation of Crimpled 2D Layers and 3D Uncommon 65.8 Topology: Effect of Ligand on the Construction of Metal−Quinoline-6-carboxylate Polymers","Crystal Growth & Design","2008","8","7","2346","","10.1021/cg701153z","","","0.71073","MoKα","","0.0614","0.0496","","","0.1197","0.1273","","","","","","1.03","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503471","10.79","0.006","17.585","0.01","5.148","0.003","90","","90","","90","","976.8","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H7 N O3 Zn -","- C10 H7 N O3 Zn -","- C40 H28 N4 O12 Zn4 -","4","1","","Hu, Sheng; Zou, Hua-Hong; Zeng, Ming-Hua; Wang, Qiang-Xin; Liang, Hong","Molecular Packing Variation of Crimpled 2D Layers and 3D Uncommon 65.8 Topology: Effect of Ligand on the Construction of Metal−Quinoline-6-carboxylate Polymers","Crystal Growth & Design","2008","8","7","2346","","10.1021/cg701153z","","","0.71073","MoKα","","0.0231","0.0213","","","0.0506","0.0513","","","","","","1.071","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503472","19.927","0.006","7.337","0.002","15.016","0.004","90","","116.619","0.004","90","","1962.7","1","293","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Co N18 S2 -","- C10 H12 Co N18 S2 -","- C40 H48 Co4 N72 S8 -","4","0.5","","Liu, Pei-Pei; Cheng, Ai-Ling; Yue, Qi; Liu, Na; Sun, Wei-Wei; Gao, En-Qing","Cobalt(II) Coordination Networks Dependent upon the Spacer Length of Flexible Bis(tetrazole) Ligands","Crystal Growth & Design","2008","8","5","1668","","10.1021/cg701167e","","","0.71073","MoKα","","0.083","0.0541","","","0.127","0.143","","","","","","0.985","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503473","6.8262","0.0014","10.183","0.002","19.735","0.004","90","","92.97","0.03","90","","1370","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Co N26 S2 -","- C14 H18 Co N26 S2 -","- C28 H36 Co2 N52 S4 -","2","0.5","","Liu, Pei-Pei; Cheng, Ai-Ling; Yue, Qi; Liu, Na; Sun, Wei-Wei; Gao, En-Qing","Cobalt(II) Coordination Networks Dependent upon the Spacer Length of Flexible Bis(tetrazole) Ligands","Crystal Growth & Design","2008","8","5","1668","","10.1021/cg701167e","","","0.71073","MoKα","","0.0479","0.0382","","","0.0912","0.0975","","","","","","1.037","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503474","6.5628","0.0013","9.2726","0.0019","11.037","0.002","66.93","0.03","83.14","0.03","78.35","0.03","604.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Co N18 S2 -","- C14 H20 Co N18 S2 -","- C14 H20 Co N18 S2 -","1","0.5","","Liu, Pei-Pei; Cheng, Ai-Ling; Yue, Qi; Liu, Na; Sun, Wei-Wei; Gao, En-Qing","Cobalt(II) Coordination Networks Dependent upon the Spacer Length of Flexible Bis(tetrazole) Ligands","Crystal Growth & Design","2008","8","5","1668","","10.1021/cg701167e","","","0.71073","MoKα","","0.0816","0.0698","","","0.1958","0.2033","","","","","","1.189","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503475","13.467","0.002","10.5968","0.0017","19.501","0.003","90","","95.56","0.002","90","","2769.8","0.7","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Co N18 S2 -","- C18 H28 Co N18 S2 -","- C72 H112 Co4 N72 S8 -","4","1","","Liu, Pei-Pei; Cheng, Ai-Ling; Yue, Qi; Liu, Na; Sun, Wei-Wei; Gao, En-Qing","Cobalt(II) Coordination Networks Dependent upon the Spacer Length of Flexible Bis(tetrazole) Ligands","Crystal Growth & Design","2008","8","5","1668","","10.1021/cg701167e","","","0.71073","MoKα","","0.141","0.0597","","","0.1289","0.1612","","","","","","0.995","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503476","13.359","0.005","13.845","0.005","12.817","0.005","90","","90","","90","","2370.6","1.5","273","2","273","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C9.5 H9.5 Li2 N0.5 O5.5 -","- C9.5 H7.5 Li2 N0.5 O5.5 -","- C76 H60 Li16 N4 O44 -","8","1","","Liu, Ying-Ya; Zhang, Jian; Xu, Fen; Sun, Li-Xian; Zhang, Tao; You, Wan-Sheng; Zhao, Yi; Zeng, Julan; Cao, Zhong; Yang, Daowu","Lithium-Based 3D Coordination Polymer with Hydrophilic Structure for Sensing of Solvent Molecules","Crystal Growth & Design","2008","8","9","3127","","10.1021/cg701173x","","","0.71073","MoKα","","0.0818","0.076","","","0.2184","0.2261","","","","","","1.135","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4503477","15.1684","0.0004","28.3635","0.0006","23.0544","0.0006","90","","106.297","0.002","90","","9520.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H66 Ag6 F36 N12 O36 S12 -","- C42 H66 Ag6 F36 N12 O36 S12 -","- C168 H264 Ag24 F144 N48 O144 S48 -","4","1","","Nockemann, Peter; Thijs, Ben; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Polynuclear Metal Complexes Obtained from the Task-Specific Ionic Liquid Betainium Bistriflimide","Crystal Growth & Design","2008","8","4","1353","","10.1021/cg701187t","","","1.54178","CuKα","","0.0881","0.0571","","","0.1288","0.1522","","","","","","0.92","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503478","14.3771","0.0014","14.6422","0.0015","28.123","0.004","88.758","0.006","88.222","0.006","85.688","0.005","5899.5","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H180 F84 N30 O94 Pb10 S28 -","- C109 H180 F84 N30 O94 Pb10 S28 -","- C109 H180 F84 N30 O94 Pb10 S28 -","1","0.5","","Nockemann, Peter; Thijs, Ben; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Polynuclear Metal Complexes Obtained from the Task-Specific Ionic Liquid Betainium Bistriflimide","Crystal Growth & Design","2008","8","4","1353","","10.1021/cg701187t","","","1.54178","CuKα","","0.1243","0.0775","","","0.1737","0.2009","","","","","","1.014","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503479","15.283","0.005","15.535","0.005","19.275","0.005","107.573","0.019","101.12","0.02","91.82","0.02","4261","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H140 Co3 F60 N22 O66 S20 -","- C80 H140 Co3 F60 N22 O66 S20 -","- C80 H140 Co3 F60 N22 O66 S20 -","1","0.5","","Nockemann, Peter; Thijs, Ben; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Polynuclear Metal Complexes Obtained from the Task-Specific Ionic Liquid Betainium Bistriflimide","Crystal Growth & Design","2008","8","4","1353","","10.1021/cg701187t","","","1.54178","CuKα","","0.1631","0.099","","","0.2112","0.2388","","","","","","1.138","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503480","42.946","0.0018","13.4744","0.0008","50.082","0.002","90","","106.7","0.002","90","","27759","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H110 F48 Mn4 N18 O55 S16 -","- C66 H110 F48 Mn4 N18 O55 S16 -","- C528 H880 F384 Mn32 N144 O440 S128 -","8","1","","Nockemann, Peter; Thijs, Ben; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Polynuclear Metal Complexes Obtained from the Task-Specific Ionic Liquid Betainium Bistriflimide","Crystal Growth & Design","2008","8","4","1353","","10.1021/cg701187t","","","1.54178","CuKα","","0.1209","0.0737","","","0.1582","0.186","","","","","","1.017","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503481","20.789","0.003","26.899","0.003","16.243","0.002","90","","103.251","0.009","90","","8841","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H132 F60 N22 Ni5 O73 S20 -","- C80 H132 F60 N22 Ni5 O73 S20 -","- C160 H264 F120 N44 Ni10 O146 S40 -","2","0.5","","Nockemann, Peter; Thijs, Ben; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Polynuclear Metal Complexes Obtained from the Task-Specific Ionic Liquid Betainium Bistriflimide","Crystal Growth & Design","2008","8","4","1353","","10.1021/cg701187t","","","1.54178","CuKα","","0.1574","0.0789","","","0.1782","0.2235","","","","","","1.009","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503482","13.5478","0.001","14.4777","0.0011","20.6903","0.0017","72.326","0.003","89.845","0.003","63.529","0.003","3419.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H110 F48 N18 O54 S16 Zn4 -","- C66 H110 F48 N18 O54 S16 Zn4 -","- C66 H110 F48 N18 O54 S16 Zn4 -","1","0.5","","Nockemann, Peter; Thijs, Ben; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen","Polynuclear Metal Complexes Obtained from the Task-Specific Ionic Liquid Betainium Bistriflimide","Crystal Growth & Design","2008","8","4","1353","","10.1021/cg701187t","","","1.54178","CuKα","","0.1404","0.0977","","","0.1962","0.2131","","","","","","1.102","","","","has coordinates,has disorder","179565","2020-10-21","18:00:00",""
"4503483","9.8158","0.0012","20.105","0.002","16.1008","0.0019","90","","92.127","0.002","90","","3175.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Mn2 N6 O9 -","- C38 H22 Mn2 N6 O9 -","- C152 H88 Mn8 N24 O36 -","4","0.5","","Bai, Zheng-Shuai; Qi, Zhao-Peng; Lu, Yi; Yuan, Qing; Sun, Wei-Yin","Novel Inorganic‒Organic Hybrid Frameworks of Manganese(II): Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2008","8","6","1924","","10.1021/cg7011952","","","0.71073","MoKα","","0.0418","0.0335","","","0.0808","0.0837","","","","","","1.003","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503484","6.8815","0.0006","12.8502","0.0012","21.837","0.002","90","","91.72","0.002","90","","1930.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H66 Mn8 N8 O57 -","- C56 H62 Mn8 N8 O57 -","- C56 H62 Mn8 N8 O57 -","1","0.5","","Bai, Zheng-Shuai; Qi, Zhao-Peng; Lu, Yi; Yuan, Qing; Sun, Wei-Yin","Novel Inorganic‒Organic Hybrid Frameworks of Manganese(II): Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2008","8","6","1924","","10.1021/cg7011952","","","0.71073","MoKα","","0.081","0.066","","","0.125","0.1323","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503485","11.226","0.002","5.462","0.0011","12.886","0.003","90","","104.346","0.004","90","","765.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Mn N O5 -","- C7 H4 Mn N O5 -","- C28 H16 Mn4 N4 O20 -","4","1","","Bai, Zheng-Shuai; Qi, Zhao-Peng; Lu, Yi; Yuan, Qing; Sun, Wei-Yin","Novel Inorganic‒Organic Hybrid Frameworks of Manganese(II): Syntheses, Crystal Structures, and Physical Properties","Crystal Growth & Design","2008","8","6","1924","","10.1021/cg7011952","","","0.71073","MoKα","","0.0343","0.0314","","","0.0857","0.0885","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503486","3.916","0.0006","7.8372","0.0012","11.4705","0.0018","90","","93.215","0.003","90","","351.48","0.09","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H4 Cl Cu2 N S -","- C5 H4 Cl Cu2 N S -","- C10 H8 Cl2 Cu4 N2 S2 -","2","1","","Hao, Zheng-Ming; Zhang, Xian-Ming","Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials","Crystal Growth & Design","2008","8","7","2359","","10.1021/cg701208g","","","0.71073","MoKα","","0.0456","0.0391","","","0.0704","0.08","","","","","","1.083","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503487","3.9759","0.0008","7.858","0.0015","11.773","0.002","90","","93.912","0.004","90","","366.96","0.12","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H4 Br Cu2 N S -","- C5 H4 Br Cu2 N S -","- C10 H8 Br2 Cu4 N2 S2 -","2","1","","Hao, Zheng-Ming; Zhang, Xian-Ming","Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials","Crystal Growth & Design","2008","8","7","2359","","10.1021/cg701208g","","","0.71073","MoKα","","0.0315","0.0297","","","0.0681","0.0781","","","","","","1.124","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503488","10.894","0.006","20.828","0.012","5.325","0.003","90","","104.344","0.01","90","","1170.6","1.1","298","2","298","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C15 H15 Cl5 Cu5 N3 S3 -","- C15 H15 Cl5 Cu5 N3 S3 -","- C30 H30 Cl10 Cu10 N6 S6 -","2","0.5","","Hao, Zheng-Ming; Zhang, Xian-Ming","Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials","Crystal Growth & Design","2008","8","7","2359","","10.1021/cg701208g","","","0.71073","MoKα","","0.073","0.0513","","","0.0904","0.102","","","","","","0.981","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503489","18.6983","0.0013","13.7126","0.0012","16.305","0.002","90","","90","","90","","4180.6","0.7","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H22 Cu N4 O8 S -","- C16 H18 Cu N4 O8 S -","- C128 H144 Cu8 N32 O64 S8 -","8","2","","Hsu, Yi-Fen; Lin, Chia-Her; Chen, Jhy-Der; Wang, Ju-Chun","A Novel Interpenetrating Diamondoid Network from Self-Assembly ofN,N′-Di(4-pyridyl)adipoamide and Copper Sulfate: An Unusual 12-Fold, [6 + 6] Mode","Crystal Growth & Design","2008","8","4","1094","","10.1021/cg701209k","","","0.71073","MoKα","","0.0585","0.0465","","","0.1308","0.1409","","","","","","1.045","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503490","32.685","0.003","10.1589","0.0011","13.718","0.0014","90","","103.483","0.001","90","","4429.4","0.8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H42 Fe2 N4 O7 Zn -","- C52 H42 Fe2 N4 O7 Zn -","- C208 H168 Fe8 N16 O28 Zn4 -","4","1","","Liu, Yaru; Hou, Hongwei; Chen, Qianru; Fan, Yaoting","From Multifunctional Precursor to Novel Reaction Products: Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl Carboxylate Complexes","Crystal Growth & Design","2008","8","4","1435","","10.1021/cg701221f","","","0.71073","MoKα","","0.0594","0.0433","","","0.088","0.0975","","","","","","1.042","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503491","25.349","0.003","21.983","0.002","26.491","0.003","90","","117.376","0.002","90","","13109","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C220 H246 Fe10 N10 O58 Zn10 -","- C220 H246 Fe10 N10 O58 Zn10 -","- C440 H492 Fe20 N20 O116 Zn20 -","2","0.5","","Liu, Yaru; Hou, Hongwei; Chen, Qianru; Fan, Yaoting","From Multifunctional Precursor to Novel Reaction Products: Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl Carboxylate Complexes","Crystal Growth & Design","2008","8","4","1435","","10.1021/cg701221f","","","0.71073","MoKα","","0.3","0.0902","","","0.2088","0.321","","","","","","0.928","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503492","12.0679","0.0018","14.208","0.002","16.042","0.003","96.32","0.002","96.695","0.002","110.307","0.002","2528.3","0.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48 Cd Fe2 N4 O10.5 -","- C52 H46 Cd Fe2 N4 O10 -","- C104 H92 Cd2 Fe4 N8 O20 -","2","1","","Liu, Yaru; Hou, Hongwei; Chen, Qianru; Fan, Yaoting","From Multifunctional Precursor to Novel Reaction Products: Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl Carboxylate Complexes","Crystal Growth & Design","2008","8","4","1435","","10.1021/cg701221f","","","0.71073","MoKα","","0.0544","0.0455","","","0.1377","0.1482","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503493","18.915","0.004","7.4191","0.0015","25.944","0.005","90","","98.16","0.03","90","","3603.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cd Fe2 N2 O8 -","- C40 H32 Cd Fe2 N2 O8 -","- C160 H128 Cd4 Fe8 N8 O32 -","4","1","","Liu, Yaru; Hou, Hongwei; Chen, Qianru; Fan, Yaoting","From Multifunctional Precursor to Novel Reaction Products: Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl Carboxylate Complexes","Crystal Growth & Design","2008","8","4","1435","","10.1021/cg701221f","","","0.71073","MoKα","","0.0825","0.0651","","","0.1485","0.1732","","","","","","1.004","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503494","25.2571","0.0012","21.8732","0.001","26.4035","0.0012","90","","117.506","0.001","90","","12937.9","1","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C226 H270 Cd10 Fe10 N10 O64 -","- C226 H270 Cd10 Fe10 N10 O64 -","- C452 H540 Cd20 Fe20 N20 O128 -","2","0.5","","Liu, Yaru; Hou, Hongwei; Chen, Qianru; Fan, Yaoting","From Multifunctional Precursor to Novel Reaction Products: Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl Carboxylate Complexes","Crystal Growth & Design","2008","8","4","1435","","10.1021/cg701221f","","","0.71073","MoKα","","0.2807","0.1196","","","0.2902","0.396","","","","","","0.996","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503495","9.133","0.0003","10.512","0.0003","24.76","0.0007","96.492","0.001","95.578","0.001","97.864","0.001","2324.28","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd2 N4 O13 -","- C52 H42 Cd2 N4 O13 -","- C104 H84 Cd4 N8 O26 -","2","1","","Li, Shun-Li; Lan, Ya-Qian; Qin, Jun-Sheng; Ma, Jian-Fang; Su, Zhong-Min","A (4,8)-Connected Fluorite Topology Framework Based on Mononuclear and Dinuclear Metal Centers","Crystal Growth & Design","2008","8","7","2055","","10.1021/cg701222b","","","0.71069","MoKα","","0.0292","0.0246","","","0.0609","0.0635","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503496","28.601","0.005","7.295","0.005","18.789","0.005","90","0.005","130.971","0.005","90","0.005","2960","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O9 Pb -","- C12 H8 N2 O9 Pb -","- C96 H64 N16 O72 Pb8 -","8","1","","Zhao, Ya-Hui; Xu, Hong-Bin; Fu, Yao-Mei; Shao, Kui-Zhan; Yang, Shuang-Yang; Su, Zhong-Min; Hao, Xiang-Rong; Zhu, Dong-Xia; Wang, En-Bo","A Series of Lead(II)-Organic Frameworks Based on Pyridyl Carboxylate Acid N-Oxide Derivatives: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3566","","10.1021/cg701224h","","","0.71069","MoKα","","0.0316","0.0239","","","0.0546","0.0563","","","","","","0.955","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503497","7.1828","0.0006","8.369","0.0008","9.7794","0.0009","110.925","0.001","90.643","0.001","112.354","0.001","500.42","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N2 O7 Pb -","- C6 H6 N2 O7 Pb -","- C12 H12 N4 O14 Pb2 -","2","1","","Zhao, Ya-Hui; Xu, Hong-Bin; Fu, Yao-Mei; Shao, Kui-Zhan; Yang, Shuang-Yang; Su, Zhong-Min; Hao, Xiang-Rong; Zhu, Dong-Xia; Wang, En-Bo","A Series of Lead(II)-Organic Frameworks Based on Pyridyl Carboxylate Acid N-Oxide Derivatives: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3566","","10.1021/cg701224h","","","0.71073","MoKα","","0.0302","0.0291","","","0.0993","0.0999","","","","","","1.015","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503498","13.0592","0.0008","7.1478","0.0004","17.3911","0.0011","90","","90","","90","","1623.36","0.17","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H4 Cl N O3 Pb -","- C6 H4 Cl N O3 Pb -","- C48 H32 Cl8 N8 O24 Pb8 -","8","1","","Zhao, Ya-Hui; Xu, Hong-Bin; Fu, Yao-Mei; Shao, Kui-Zhan; Yang, Shuang-Yang; Su, Zhong-Min; Hao, Xiang-Rong; Zhu, Dong-Xia; Wang, En-Bo","A Series of Lead(II)-Organic Frameworks Based on Pyridyl Carboxylate Acid N-Oxide Derivatives: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3566","","10.1021/cg701224h","","","0.71073","MoKα","","0.0309","0.0222","","","0.0512","0.0525","","","","","","1.02","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503499","9.582","0.005","10.467","0.005","17.92","0.005","74.753","0.005","77.643","0.005","73.093","0.005","1640.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H40 N11 Na3 O33 Pb4 -","- C60 H40 N11 Na3 O33 Pb4 -","- C60 H40 N11 Na3 O33 Pb4 -","1","0.5","","Zhao, Ya-Hui; Xu, Hong-Bin; Fu, Yao-Mei; Shao, Kui-Zhan; Yang, Shuang-Yang; Su, Zhong-Min; Hao, Xiang-Rong; Zhu, Dong-Xia; Wang, En-Bo","A Series of Lead(II)-Organic Frameworks Based on Pyridyl Carboxylate Acid N-Oxide Derivatives: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3566","","10.1021/cg701224h","","","0.71069","MoKα","","0.0569","0.0391","","","0.1071","0.1245","","","","","","1.006","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503500","20.1456","0.0017","7.2233","0.0006","21.3603","0.0018","90","","99.231","0.002","90","","3068","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 O19 Pb3 -","- C24 H16 N6 O19 Pb3 -","- C96 H64 N24 O76 Pb12 -","4","1","","Zhao, Ya-Hui; Xu, Hong-Bin; Fu, Yao-Mei; Shao, Kui-Zhan; Yang, Shuang-Yang; Su, Zhong-Min; Hao, Xiang-Rong; Zhu, Dong-Xia; Wang, En-Bo","A Series of Lead(II)-Organic Frameworks Based on Pyridyl Carboxylate Acid N-Oxide Derivatives: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3566","","10.1021/cg701224h","","","0.71073","MoKα","","0.1066","0.0507","","","0.1054","0.1112","","","","","","0.681","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503501","11.1326","0.0019","7.2349","0.0012","15.719","0.003","90","","102.466","0.003","90","","1236.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O6 Pb -","- C12 H8 N2 O6 Pb -","- C48 H32 N8 O24 Pb4 -","4","1","","Zhao, Ya-Hui; Xu, Hong-Bin; Fu, Yao-Mei; Shao, Kui-Zhan; Yang, Shuang-Yang; Su, Zhong-Min; Hao, Xiang-Rong; Zhu, Dong-Xia; Wang, En-Bo","A Series of Lead(II)-Organic Frameworks Based on Pyridyl Carboxylate Acid N-Oxide Derivatives: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3566","","10.1021/cg701224h","","","0.71073","MoKα","","0.0539","0.0409","","","0.0958","0.0984","","","","","","0.966","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503502","6.099","0.002","15.42","0.005","7.976","0.003","90","","90.07","0.03","90","","750.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H14 N4 O10 U -","- C8 H14 N4 O10 U -","- C16 H28 N8 O20 U2 -","2","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0372","0.0187","","","0.0362","0.0402","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503503","6.934","0.002","9","0.003","17.63","0.008","89.64","0.03","83.9","0.03","77.43","0.03","1067.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 N4 O10 U -","- C14 H26 N4 O10 U -","- C28 H52 N8 O20 U2 -","2","1","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.058","0.043","","","0.1107","0.1194","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503504","7.089","0.002","18.117","0.005","8.849","0.002","90","","101.95","0.03","90","","1111.9","0.5","293","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 N4 O10 U -","- C14 H26 N4 O10 U -","- C28 H52 N8 O20 U2 -","2","1","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0527","0.0437","","","0.108","0.1121","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503505","9.86","0.004","10.474","0.003","11.713","0.004","87.6","0.03","88.11","0.03","62.59","0.03","1072.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 N4 O10 U -","- C14 H26 N4 O10 U -","- C28 H52 N8 O20 U2 -","2","1","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0585","0.0313","","","0.069","0.0764","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503506","10.002","0.004","11.697","0.004","10.87","0.005","90","","61.17","0.03","90","","1114.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H26 N4 O10 U -","- C14 H26 N4 O10 U -","- C28 H52 N8 O20 U2 -","2","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0895","0.0419","","","0.08","0.091","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503507","7.405","0.003","18.1","0.005","8.623","0.003","90","","100.97","0.03","90","","1134.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N4 O10 U -","- C16 H30 N4 O10 U -","- C32 H60 N8 O20 U2 -","2","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0249","0.0161","","","0.0327","0.0346","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503508","10.284","0.006","13.114","0.006","17.371","0.008","90","","90","","90","","2343","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H30 N4 O10 U -","- C16 H30 N4 O10 U -","- C64 H120 N16 O40 U4 -","4","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0779","0.0409","","","0.0809","0.0939","","","","","","1.054","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503509","17.364","0.006","7.385","0.003","18.031","0.009","90","","90","","90","","2312.2","1.7","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H30 N4 O10 U -","- C16 H30 N4 O10 U -","- C64 H120 N16 O40 U4 -","4","1","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0371","0.0326","","","0.0827","0.0854","","","","","","1.053","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503510","8.335","0.003","14.6","0.005","10.617","0.004","90","","104","0.03","90","","1253.6","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 N4 O10 U -","- C18 H34 N4 O10 U -","- C36 H68 N8 O20 U2 -","2","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0414","0.0219","","","0.0404","0.0443","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503511","10.306","0.003","11.891","0.004","10.905","0.003","90","","100.04","0.03","90","","1315.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 N4 O10 U -","- C18 H34 N4 O10 U -","- C36 H68 N8 O20 U2 -","2","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0343","0.0221","","","0.0447","0.0478","","","","","","1.106","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503512","7.438","0.002","15.18","0.006","11.513","0.004","90","","88.21","0.03","90","","1299.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 N4 O10 U -","- C18 H34 N4 O10 U -","- C36 H68 N8 O20 U2 -","2","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0458","0.0323","","","0.0625","0.0661","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503513","7.272","0.002","8.988","0.002","10.467","0.003","105.6","0.02","102.702","0.019","98.12","0.02","628","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N4 O10 U -","- C18 H34 N4 O10 U -","- C18 H34 N4 O10 U -","1","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0218","0.0218","","","0.0495","0.0495","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503514","9.764","0.003","10.17","0.002","14.481","0.005","100.12","0.02","98.9","0.02","112.86","0.02","1264.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N4 O10 U -","- C18 H34 N4 O10 U -","- C36 H68 N8 O20 U2 -","2","1","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0286","0.025","","","0.06","0.0613","","","","","","1.039","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503515","7.001","0.002","9.841","0.003","10.152","0.003","109.64","0.02","102.15","0.02","98.93","0.03","624.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 N4 O10 U -","- C18 H34 N4 O10 U -","- C18 H34 N4 O10 U -","1","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0532","0.053","","","0.1363","0.1364","","","","","","1.08","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503516","10.7207","0.0005","10.7207","0.0005","8.7241","0.0008","90","","90","","120","","868.36","0.1","291","2","291","2","","","","","","","","5","P 63","P 6c","173","","","","- Co2 H8 N2 O8 P2 -","- Co2 H8 N2 O8 P2 -","- Co8 H32 N8 O32 P8 -","4","0.666667","","Lu, Ailing; Li, Niu; Ma, Yanfeng; Song, Haibin; Li, Daiping; Guan, Naijia; Xiang, Shouhe","Controlling the In situ Decomposition of Chain-Type Polyamines To Direct the Crystal Growth of Cobalt−zinc Phosphates","Crystal Growth & Design","2008","8","7","2377","","10.1021/cg701231d","","","0.71073","MoKα","","0.0225","0.0224","","","0.0608","0.0611","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503517","9.4758","0.0006","17.8003","0.0012","25.6003","0.0017","90","","97.299","0.001","90","","4283.1","0.5","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O6 Zn -","- C21 H22 N2 O6 Zn -","- C168 H176 N16 O48 Zn8 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Topological Diversity of Coordination Polymers Containing the Rigid Terephthalate and a Flexible N,N′-Type Ligand: Interpenetration, Polyrotaxane, and Polythreading","Crystal Growth & Design","2008","8","6","1932","","10.1021/cg701232n","","","0.71073","MoKα","","0.0488","0.0377","","","0.0922","0.0998","","","","","","1.042","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503518","17.5805","0.001","18.0403","0.001","32.8141","0.0018","90","","90","","90","","10407.2","1","187","2","187","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H54 Cd2 N6 O10 -","- C55 H54 Cd2 N6 O10 -","- C440 H432 Cd16 N48 O80 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Topological Diversity of Coordination Polymers Containing the Rigid Terephthalate and a Flexible N,N′-Type Ligand: Interpenetration, Polyrotaxane, and Polythreading","Crystal Growth & Design","2008","8","6","1932","","10.1021/cg701232n","","","0.71073","MoKα","","0.0644","0.0458","","","0.0967","0.1028","","","","","","1.016","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503519","8.67","0.002","10.028","0.002","12.476","0.003","74.158","0.003","78.893","0.003","89.453","0.003","1022.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cd N2 O6 -","- C21 H22 Cd N2 O6 -","- C42 H44 Cd2 N4 O12 -","2","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Topological Diversity of Coordination Polymers Containing the Rigid Terephthalate and a Flexible N,N′-Type Ligand: Interpenetration, Polyrotaxane, and Polythreading","Crystal Growth & Design","2008","8","6","1932","","10.1021/cg701232n","","","0.71073","MoKα","","0.0253","0.0239","","","0.0606","0.0616","","","","","","1.03","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503520","13.2305","0.0009","15.2743","0.001","13.9145","0.0009","90","","99.249","0.001","90","","2775.4","0.3","187","2","187","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Br2 Cd2 N8 O4 -","- C60 H60 Br2 Cd2 N8 O4 -","- C120 H120 Br4 Cd4 N16 O8 -","2","0.5","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Topological Diversity of Coordination Polymers Containing the Rigid Terephthalate and a Flexible N,N′-Type Ligand: Interpenetration, Polyrotaxane, and Polythreading","Crystal Growth & Design","2008","8","6","1932","","10.1021/cg701232n","","","0.71073","MoKα","","0.0352","0.0304","","","0.077","0.0799","","","","","","1.036","","","","has coordinates,has disorder","179569","2020-10-21","18:00:00",""
"4503521","28.239","0.019","28.239","0.019","28.239","0.019","90","","90","","90","","22519","3","200","","200","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","[Cu6(OH)6(TPMBA-4)8](BF4)3(OH)3-85(H2O)","","- C216 H515 B3 Cu6 F12 N48 O118 -","- C216 H192 B3 Cu6 F12.36 N48 O118 -","- C432 H384 B6 Cu12 F24.72 N96 O236 -","2","0.0416667","","Wang, Yan; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Large (H2O)56(OH)6and (H2O)20Clusters inside a Nanometer-Sized M6L8Cage Constructed by Five-Coordinated Copper(II) and Flexible Carboxamide-Containing Tripodal Ligand","Crystal Growth & Design","2008","8","3","802","","10.1021/cg701242z","","","0.71075","MoKα","","0.1812","0.1573","","","0.4066","0.4236","","","","","","1.67","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503522","9.0184","0.0004","9.9048","0.0006","10.3237","0.0007","90","","90","","90","","922.17","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N2 O7 U -","- C6 H4 N2 O7 U -","- C24 H16 N8 O28 U4 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks","Crystal Growth & Design","2008","8","5","1689","","10.1021/cg701246j","","","0.71073","MoKα","","0.0258","0.0253","","","0.0648","0.0652","","","","","","1.032","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503523","5.8446","0.0003","19.1888","0.0012","6.8849","0.0004","90","","102.164","0.004","90","","754.81","0.08","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H6 N2 O15 U2 -","- C8 H2 N2 O15 U2 -","- C16 H4 N4 O30 U4 -","2","0.5","","Masci, Bernardo; Thuéry, Pierre","Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks","Crystal Growth & Design","2008","8","5","1689","","10.1021/cg701246j","","","0.71073","MoKα","","0.0298","0.0261","","","0.0678","0.0691","","","","","","1.087","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503524","5.5743","0.0004","6.6476","0.0007","10.3039","0.001","76.091","0.005","87.586","0.006","80.911","0.006","365.97","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 N2 Na2 O14 U -","- C8 H8 N2 Na2 O14 U -","- C8 H8 N2 Na2 O14 U -","1","0.5","","Masci, Bernardo; Thuéry, Pierre","Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks","Crystal Growth & Design","2008","8","5","1689","","10.1021/cg701246j","","","0.71073","MoKα","","0.0242","0.0229","","","0.0569","0.057","","","","","","1.069","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503525","5.8717","0.0003","10.7693","0.0003","20.2364","0.0009","90","","95.631","0.002","90","","1273.46","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 K2 N4 O22 U -","- C16 H12 K2 N4 O22 U -","- C32 H24 K4 N8 O44 U2 -","2","0.5","","Masci, Bernardo; Thuéry, Pierre","Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks","Crystal Growth & Design","2008","8","5","1689","","10.1021/cg701246j","","","0.71073","MoKα","","0.0257","0.021","","","0.0527","0.0542","","","","","","1.049","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503526","8.0517","0.0003","8.7548","0.0004","10.2542","0.0004","110.274","0.002","107.093","0.003","90.135","0.002","643.71","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 K2 N4 O22 U -","- C16 H12 K2 N4 O22 U -","- C16 H12 K2 N4 O22 U -","1","0.5","","Masci, Bernardo; Thuéry, Pierre","Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks","Crystal Growth & Design","2008","8","5","1689","","10.1021/cg701246j","","","0.71073","MoKα","","0.0148","0.0127","","","0.033","0.0331","","","","","","1.085","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503527","8.0501","0.0005","8.7608","0.0006","10.3486","0.0005","109.559","0.004","107.331","0.004","90.071","0.003","652.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N4 O22 Rb2 U -","- C16 H12 N4 O22 Rb2 U -","- C16 H12 N4 O22 Rb2 U -","1","0.5","","Masci, Bernardo; Thuéry, Pierre","Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks","Crystal Growth & Design","2008","8","5","1689","","10.1021/cg701246j","","","0.71073","MoKα","","0.031","0.031","","","0.0887","0.0887","","","","","","1.137","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503528","10.974","0.003","13.124","0.004","21.098","0.006","90","","90","","90","","3038.6","1.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H94 N4 O22 P6 -","- C52 H94 N4 O22 P6 -","- C104 H188 N8 O44 P12 -","2","0.5","","Kong, Deyuan; Yao, Jiyong; Clearfield, Abraham; Zon, Jerzy","Hydrogen-Bonded Structures Formed from the Reaction of 1,3,5-Benzene-triphosphonic Acid and Adamantane","Crystal Growth & Design","2008","8","8","2892","","10.1021/cg701253u","","","0.71073","MoKα","","0.0345","0.0323","","","0.0802","0.0816","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503529","11.862","0.005","15.663","0.007","16.83","0.008","62.422","0.007","80.885","0.008","75.348","0.007","2678","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.78 H92 N4 O15.49 P3 -","- C48.754 H92 N4 O15.488 P3 -","- C97.508 H184 N8 O30.976 P6 -","2","1","","Kong, Deyuan; Yao, Jiyong; Clearfield, Abraham; Zon, Jerzy","Hydrogen-Bonded Structures Formed from the Reaction of 1,3,5-Benzene-triphosphonic Acid and Adamantane","Crystal Growth & Design","2008","8","8","2892","","10.1021/cg701253u","","","0.71073","MoKα","","0.056","0.0436","","","0.0982","0.1035","","","","","","1.037","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503530","11.002","0.008","19.264","0.013","20.6","0.014","72.623","0.012","84.532","0.013","76.059","0.012","4043","5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C68.57 H146.1 N6 O24 P3 -","- C68.562 H137.248 N6 O24 P3 -","- C137.124 H274.496 N12 O48 P6 -","2","1","","Kong, Deyuan; Yao, Jiyong; Clearfield, Abraham; Zon, Jerzy","Hydrogen-Bonded Structures Formed from the Reaction of 1,3,5-Benzene-triphosphonic Acid and Adamantane","Crystal Growth & Design","2008","8","8","2892","","10.1021/cg701253u","","","0.71073","MoKα","","0.1134","0.0899","","","0.2223","0.245","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503531","7.897","0.003","7.897","0.003","6.757","0.006","90","","90","","120","","364.9","0.4","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Ga3 O7 P -","- Ga3 O7 P -","- Ga9 O21 P3 -","3","0.166667","","Xu, Guogang; Li, Jing; Wang, Jiyang; Zhao, Hongyang; Liu, Hong","Flux Growth and Characterizations of Ga3PO7Single Crystals","Crystal Growth & Design","2008","8","10","3577","","10.1021/cg7012649","","","0.71073","MoKα","","0.0192","0.0192","","","0.0431","0.0431","","","","","","1.208","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503532","21.178","0.01","12.634","0.006","20.699","0.01","90","","106.269","0.008","90","","5317","4","100","2","100","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","unknown","unknown","","- C24 H20 Eu N4 Na O10 -","- C24 H20 Eu N4 Na O10 -","- C192 H160 Eu8 N32 Na8 O80 -","8","1","","Hong, Jung Hoon; Oh, Yunghee; Kim, Youngmee; Kang, Sung Kwon; Choi, Jungkweon; Kim, Wan Seop; Lee, Jong In; Kim, Sung-Jin; Hur, Nam Hwi","Polymorph Selective Growth of Sodium Tetrakis(2-pyridinecarboxylato) Lanthanides and Their Structure Sensitive Properties","Crystal Growth & Design","2008","8","4","1364","","10.1021/cg7012705","","x-ray","0.71073","Mokα","","0.0656","0.0357","","","0.0524","0.0681","","","","","","1.012","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4503533","12.587","0.001","12.587","0.001","58.893","0.01","90","","90","","120","","8080.5","1.6","100","2","100","2","","","","","","","synthesized","6","P 65 2 2","P 65 2 (0 0 1)","179","unknown","unknown","","- C24 H20 Eu N4 Na O10 -","- C24 H20 Eu N4 Na O10 -","- C288 H240 Eu12 N48 Na12 O120 -","12","1","","Hong, Jung Hoon; Oh, Yunghee; Kim, Youngmee; Kang, Sung Kwon; Choi, Jungkweon; Kim, Wan Seop; Lee, Jong In; Kim, Sung-Jin; Hur, Nam Hwi","Polymorph Selective Growth of Sodium Tetrakis(2-pyridinecarboxylato) Lanthanides and Their Structure Sensitive Properties","Crystal Growth & Design","2008","8","4","1364","","10.1021/cg7012705","","x-ray","0.71073","MoKα","","0.0754","0.0355","","","0.0576","0.0642","","","","","","1.01","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4503534","21.199","0.006","12.686","0.003","20.367","0.005","90","","105.112","0.004","90","","5288","2","100","2","100","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","unknown","unknown","","- C24 H20 N4 Na O10 Tb -","- C24 H20 N4 Na O10 Tb -","- C192 H160 N32 Na8 O80 Tb8 -","8","1","","Hong, Jung Hoon; Oh, Yunghee; Kim, Youngmee; Kang, Sung Kwon; Choi, Jungkweon; Kim, Wan Seop; Lee, Jong In; Kim, Sung-Jin; Hur, Nam Hwi","Polymorph Selective Growth of Sodium Tetrakis(2-pyridinecarboxylato) Lanthanides and Their Structure Sensitive Properties","Crystal Growth & Design","2008","8","4","1364","","10.1021/cg7012705","","x-ray","0.71073","MoKα","","0.0624","0.0411","","","0.0683","0.0721","","","","","","1.005","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4503535","12.5255","0.0005","12.5255","0.0005","59.758","0.005","90","","90","","120","","8119.3","0.8","100","2","100","2","","","","","","","synthesized","6","P 65 2 2","P 65 2 (0 0 1)","179","unknown","unknown","","- C24 H20 N4 Na O10 Tb -","- C24 H20 N4 Na O10 Tb -","- C288 H240 N48 Na12 O120 Tb12 -","12","1","","Hong, Jung Hoon; Oh, Yunghee; Kim, Youngmee; Kang, Sung Kwon; Choi, Jungkweon; Kim, Wan Seop; Lee, Jong In; Kim, Sung-Jin; Hur, Nam Hwi","Polymorph Selective Growth of Sodium Tetrakis(2-pyridinecarboxylato) Lanthanides and Their Structure Sensitive Properties","Crystal Growth & Design","2008","8","4","1364","","10.1021/cg7012705","","x-ray","0.71073","MoKα","","0.0583","0.0453","","","0.0692","0.0822","","","","","","1.007","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4503536","7.538","0.002","8.38","0.002","10.923","0.003","90","","94.248","0.018","90","","688.1","0.3","273","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Piedade, Manuel E. Minas da","Polymorphism in 4′-Hydroxyacetophenone: Structure and Energetics","Crystal Growth & Design","2008","8","7","2419","","10.1021/cg7012792","","","0.71073","MoKα","","0.1122","0.042","","","0.0866","0.1154","","","","","","0.964","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503537","7.72","0.0015","8.36","0.0017","11.28","0.002","90","","95.02","0.03","90","","725.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Piedade, Manuel E. Minas da","Polymorphism in 4′-Hydroxyacetophenone: Structure and Energetics","Crystal Growth & Design","2008","8","7","2419","","10.1021/cg7012792","","","0.71073","MoKα","","0.0995","0.0441","","","0.1052","0.1295","","","","","","0.989","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503538","6.1554","0.0017","9.108","0.003","24.445","0.006","90","","90","","90","","1370.5","0.7","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","2","","Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Piedade, Manuel E. Minas da","Polymorphism in 4′-Hydroxyacetophenone: Structure and Energetics","Crystal Growth & Design","2008","8","7","2419","","10.1021/cg7012792","","","0.71073","MoKα","","0.1297","0.0562","","","0.099","0.1238","","","","","","0.952","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503539","6.1097","0.0011","9.5293","0.0014","24.313","0.004","90","","90","","90","","1415.5","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","2","","Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Piedade, Manuel E. Minas da","Polymorphism in 4′-Hydroxyacetophenone: Structure and Energetics","Crystal Growth & Design","2008","8","7","2419","","10.1021/cg7012792","","","0.71073","MoKα","","0.0987","0.0406","","","0.084","0.1058","","","","","","0.923","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503540","24.886","0.003","37.785","0.005","12.265","0.0016","90","","96.306","0.003","90","","11463","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H78 F Mo6 N3 O18 -","- C38.75 H70 F Mo6 N3 O18 -","- C310 H560 F8 Mo48 N24 O144 -","8","2","","Xue, Sijia; Xiang, Changsheng; Wei, Yongge; Tao, Zhenwei; Chai, An; Bian, Wangdong; Xu, Zhu","Synthesis, Crystal Structure, Spectroscopic, and Herbicidal Activity Studies of a Series of Designed Fluoro-Functionalized Phenylimido Derivatives of Hexametalate Cluster","Crystal Growth & Design","2008","8","7","2437","","10.1021/cg8000174","","","0.71073","MoKα","","0.1771","0.0853","","","0.1916","0.2309","","","","","","0.947","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503541","18.452","0.0009","15.3007","0.0007","20.0161","0.001","90","","105.314","0.001","90","","5450.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H78 F Mo6 N3 O18 -","- C39 H78 F Mo6 N3 O18 -","- C156 H312 F4 Mo24 N12 O72 -","4","1","","Xue, Sijia; Xiang, Changsheng; Wei, Yongge; Tao, Zhenwei; Chai, An; Bian, Wangdong; Xu, Zhu","Synthesis, Crystal Structure, Spectroscopic, and Herbicidal Activity Studies of a Series of Designed Fluoro-Functionalized Phenylimido Derivatives of Hexametalate Cluster","Crystal Growth & Design","2008","8","7","2437","","10.1021/cg8000174","","","0.71073","MoKα","","0.07","0.0496","","","0.1132","0.1253","","","","","","1.098","","","","has coordinates,has disorder","179569","2020-10-21","18:00:00",""
"4503542","17.8291","0.0008","17.315","0.0008","19.3194","0.0009","90","","114.531","0.001","90","","5425.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H76 F Mo6 N3 O18 -","- C38 H76 F Mo6 N3 O18 -","- C152 H304 F4 Mo24 N12 O72 -","4","1","","Xue, Sijia; Xiang, Changsheng; Wei, Yongge; Tao, Zhenwei; Chai, An; Bian, Wangdong; Xu, Zhu","Synthesis, Crystal Structure, Spectroscopic, and Herbicidal Activity Studies of a Series of Designed Fluoro-Functionalized Phenylimido Derivatives of Hexametalate Cluster","Crystal Growth & Design","2008","8","7","2437","","10.1021/cg8000174","","","0.71073","MoKα","","0.0708","0.0437","","","0.0836","0.0906","","","","","","0.918","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503543","12.6754","0.0006","22.73","0.001","19.5005","0.001","90","","104.215","0.001","90","","5446.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 F Mo6 N3 O18 -","- C38 H76 F Mo6 N3 O18 -","- C152 H304 F4 Mo24 N12 O72 -","4","1","","Xue, Sijia; Xiang, Changsheng; Wei, Yongge; Tao, Zhenwei; Chai, An; Bian, Wangdong; Xu, Zhu","Synthesis, Crystal Structure, Spectroscopic, and Herbicidal Activity Studies of a Series of Designed Fluoro-Functionalized Phenylimido Derivatives of Hexametalate Cluster","Crystal Growth & Design","2008","8","7","2437","","10.1021/cg8000174","","","0.71073","MoKα","","0.0861","0.0577","","","0.1338","0.1415","","","","","","1.052","","","","has coordinates,has disorder","179569","2020-10-21","18:00:00",""
"4503544","11.25","0.002","8.0324","0.0016","15.068","0.003","90","","94.24","0.03","90","","1357.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[ZnCl(obip)]","","","- C14 H9 Cl N4 O Zn -","- C14 H9 Cl N4 O Zn -","- C56 H36 Cl4 N16 O4 Zn4 -","4","1","","Yong, Guo-Ping; Qiao, Shu; Wang, Zhi-Yong","A One-Dimensional Coordination Polymer Based on Novel Radical Anion Ligand Generated In Situ: Notable Magnetic and Luminescence Properties","Crystal Growth & Design","2008","8","5","1465","","10.1021/cg800025y","","","0.71073","MoKα","","0.0531","0.0474","","","0.1326","0.1374","","","","","","1.073","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503545","6.6602","0.001","11.6941","0.0018","22.788","0.004","90","","90","","90","","1774.8","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 N2 O12 Th -","- C14 H6 N2 O12 Th -","- C56 H24 N8 O48 Th4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems","Crystal Growth & Design","2008","8","8","2921","","10.1021/cg800029z","","","0.71073","MoKα","","0.0739","0.0456","","","0.0797","0.0899","","","","","","1.029","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503546","9.6134","0.0011","10.0722","0.0012","16.17","0.0019","90","","90","","90","","1565.7","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H6 N2 O9 Th -","- C14 H6 N2 O9 Th -","- C56 H24 N8 O36 Th4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems","Crystal Growth & Design","2008","8","8","2921","","10.1021/cg800029z","","","0.71073","MoKα","","0.0525","0.0361","","","0.0468","0.051","","","","","","0.683","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503547","7.9925","0.0005","9.3928","0.0006","9.4723","0.0006","69.789","0.001","84.958","0.001","69.425","0.001","624.3","0.07","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H13 N3 O17 Th -","- C21 H13 N3 O17 Th -","- C21 H13 N3 O17 Th -","1","1","","Frisch, Mark; Cahill, Christopher L.","Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems","Crystal Growth & Design","2008","8","8","2921","","10.1021/cg800029z","","","0.71073","MoKα","","0.0226","0.0226","","","0.0458","0.0458","","","","","","0.861","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503548","17.3951","0.0009","7.2453","0.0003","15.2827","0.0009","90","","117.744","0.001","90","","1704.69","0.15","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 O12 Th -","- C12 H12 N4 O12 Th -","- C48 H48 N16 O48 Th4 -","4","0.5","","Frisch, Mark; Cahill, Christopher L.","Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems","Crystal Growth & Design","2008","8","8","2921","","10.1021/cg800029z","","","0.71073","MoKα","","0.0191","0.0181","","","0.0364","0.0367","","","","","","1.02","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503549","15.484","0.0008","7.6582","0.0004","28.6993","0.0015","90","","97.906","0.001","90","","3370.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O12 Th -","- C12 H9 N4 O12.21 Th -","- C96 H72 N32 O97.68 Th8 -","8","2","","Frisch, Mark; Cahill, Christopher L.","Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems","Crystal Growth & Design","2008","8","8","2921","","10.1021/cg800029z","","","0.71073","MoKα","","0.0644","0.0397","","","0.0633","0.0691","","","","","","1.029","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503550","5.049","0.001","10.4","0.002","13.804","0.003","98.83","0.03","99.36","0.03","91.31","0.03","705.9","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","1,4-benzenedimethanol trans-1,2-cyclohexanediamine co-crystal","1,4-benzenedimethanol trans-1,2-cyclohexanediamine co-crystal","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C28 H48 N4 O4 -","2","1","","Scott, Janet L.; Hachiken, Satoshi; Tanaka, Koichi","Efficient Isomeric Enrichment in Cocrystals of Cyclohexanediamines and Low Molecular Weight Diols","Crystal Growth & Design","2008","8","7","2447","","10.1021/cg800032m","","","0.71073","MoKα","","0.1047","0.0618","","","0.1439","0.1707","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503551","19.426","0.0007","15.4031","0.0006","5.173","0.0002","90","","90","","90","","1547.87","0.1","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","trans-1,4-cyclohexanedimethanol cis-1,3-diaminocyclohexane co-crystal","trans-1,4-cyclohexanedimethanol cis-1,3-diaminocyclohexane co-crystal","","- C14 H30 N2 O2 -","- C14 H30 N2 O2 -","- C56 H120 N8 O8 -","4","0.5","","Scott, Janet L.; Hachiken, Satoshi; Tanaka, Koichi","Efficient Isomeric Enrichment in Cocrystals of Cyclohexanediamines and Low Molecular Weight Diols","Crystal Growth & Design","2008","8","7","2447","","10.1021/cg800032m","","","0.71073","MoKα","","0.0662","0.0574","","","0.139","0.1444","","","","","","1.15","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503552","10.9415","0.0013","9.5859","0.0012","13.986","0.0017","90","","112.608","0.002","90","","1354.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 S4 -","- C34 H26 S4 -","- C68 H52 S8 -","2","0.5","","Sun, Yan-Qiong; Tsang, Chun-Kwan; Xu, Zhengtao; Huang, Guo; He, Jun; Zhou, Xiao-Ping; Zeller, Matthias; Hunter, Allen D.","CuCN Pillars Induce Face-to-Face π-Overlap of Anthracene-Based Thioether Molecules within a Hybrid Coordination Network","Crystal Growth & Design","2008","8","5","1468","","10.1021/cg800033v","","","0.71073","MoKα","","0.0483","0.0428","","","0.1162","0.1207","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503553","11.3812","0.0016","15.574","0.002","9.3119","0.0013","90","","104.361","0.002","90","","1599","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cu2 N2 S4 -","- C36 H26 Cu2 N2 S4 -","- C72 H52 Cu4 N4 S8 -","2","0.5","","Sun, Yan-Qiong; Tsang, Chun-Kwan; Xu, Zhengtao; Huang, Guo; He, Jun; Zhou, Xiao-Ping; Zeller, Matthias; Hunter, Allen D.","CuCN Pillars Induce Face-to-Face π-Overlap of Anthracene-Based Thioether Molecules within a Hybrid Coordination Network","Crystal Growth & Design","2008","8","5","1468","","10.1021/cg800033v","","","0.71073","MoKα","","0.0504","0.0399","","","0.0954","0.1028","","","","","","1.058","","","","has coordinates,has disorder","179569","2020-10-21","18:00:00",""
"4503554","39.596","0.007","8.2984","0.0014","11.258","0.002","90","","90","","90","","3699.2","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- I6 In K3 O18 -","- I6 In K3 O18 -","- I48 In8 K24 O144 -","8","0.5","","Liu, Xiaomin; Li, Guanghua; Hu, Yawei; Yang, Ming; Kong, Xianggui; Shi, Zhan; Feng, Shouhua","Hydrothermal Synthesis and Crystal Structure of Polar and Nonpolar Compounds in Indium Iodate Family","Crystal Growth & Design","2008","8","7","2453","","10.1021/cg800034z","","","0.71073","MoKα","","0.027","0.0249","","","0.0518","0.0523","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503555","6.9441","0.0014","7.0685","0.0014","10.639","0.002","98.14","0.03","108.77","0.03","102.72","0.03","469.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- I6 In K3 O18 -","- I6 In K3 O18 -","- I6 In K3 O18 -","1","0.5","","Liu, Xiaomin; Li, Guanghua; Hu, Yawei; Yang, Ming; Kong, Xianggui; Shi, Zhan; Feng, Shouhua","Hydrothermal Synthesis and Crystal Structure of Polar and Nonpolar Compounds in Indium Iodate Family","Crystal Growth & Design","2008","8","7","2453","","10.1021/cg800034z","","","0.71073","MoKα","","0.0547","0.0435","","","0.0944","0.1161","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503556","6.7321","0.0013","7.5255","0.0015","7.6798","0.0015","100.43","0.03","91.96","0.03","106.64","0.03","365.09","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- H3 I2 In O8 -","- H3 I2 In O8 -","- H6 I4 In2 O16 -","2","1","","Liu, Xiaomin; Li, Guanghua; Hu, Yawei; Yang, Ming; Kong, Xianggui; Shi, Zhan; Feng, Shouhua","Hydrothermal Synthesis and Crystal Structure of Polar and Nonpolar Compounds in Indium Iodate Family","Crystal Growth & Design","2008","8","7","2453","","10.1021/cg800034z","","","0.71073","MoKα","","0.0187","0.0159","","","0.0371","0.0536","","","","","","1.237","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503557","9.7701","0.0014","9.7701","0.0014","14.179","0.003","90","","90","","120","","1172.1","0.3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- I3 In O9 -","- I3 In O9 -","- I18 In6 O54 -","6","0.333333","","Liu, Xiaomin; Li, Guanghua; Hu, Yawei; Yang, Ming; Kong, Xianggui; Shi, Zhan; Feng, Shouhua","Hydrothermal Synthesis and Crystal Structure of Polar and Nonpolar Compounds in Indium Iodate Family","Crystal Growth & Design","2008","8","7","2453","","10.1021/cg800034z","","","0.71073","MoKα","","0.0279","0.0259","","","0.0585","0.0595","","","","","","1.184","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503558","11.652","0.002","5.4473","0.0011","56.607","0.011","90","","90","","90","","3593","1.2","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C152 H192 N16 O24 -","8","2","","Berry, David J.; Seaton, Colin C.; Clegg, William; Harrington, Ross W.; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.; Storey, Richard; Jones, William; Friščić, Tomislav; Blagden, Nicholas","Applying Hot-Stage Microscopy to Co-Crystal Screening: A Study of Nicotinamide with Seven Active Pharmaceutical Ingredients","Crystal Growth & Design","2008","8","5","1697","","10.1021/cg800035w","","","0.71073","MoKα","","0.1097","0.0582","","","0.1323","0.1547","","","","","","1.093","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503559","5.411","0.0006","55.883","0.006","11.9006","0.0013","90","","90.004","0.002","90","","3598.5","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C152 H192 N16 O24 -","8","4","","Berry, David J.; Seaton, Colin C.; Clegg, William; Harrington, Ross W.; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.; Storey, Richard; Jones, William; Friščić, Tomislav; Blagden, Nicholas","Applying Hot-Stage Microscopy to Co-Crystal Screening: A Study of Nicotinamide with Seven Active Pharmaceutical Ingredients","Crystal Growth & Design","2008","8","5","1697","","10.1021/cg800035w","","","0.6926","synchrotron","","0.0582","0.0507","","","0.1331","0.138","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503560","11.0751","0.0002","4.9441","0.0001","22.847","0.0005","90","","97.556","0.001","90","","1240.16","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Berry, David J.; Seaton, Colin C.; Clegg, William; Harrington, Ross W.; Coles, Simon J.; Horton, Peter N.; Hursthouse, Michael B.; Storey, Richard; Jones, William; Friščić, Tomislav; Blagden, Nicholas","Applying Hot-Stage Microscopy to Co-Crystal Screening: A Study of Nicotinamide with Seven Active Pharmaceutical Ingredients","Crystal Growth & Design","2008","8","5","1697","","10.1021/cg800035w","","","0.71073","MoKα","","0.0652","0.0461","","","0.1109","0.1226","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503561","7.8386","0.0005","11.5023","0.0003","11.6566","0.0003","117.161","0.001","103.249","0.002","94.302","0.002","890.4","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 Cd3 O28 -","- C22 H38 Cd3 O28 -","- C22 H38 Cd3 O28 -","1","0.5","","He, Yin-Hua; Feng, Yun-Long; Lan, You-Zhao; Wen, Yi-Hang","Syntheses, Structures, and Photoluminescence of Four d10Metal−Organic Frameworks Constructed from 3,5-Bis-oxyacetate-benzoic Acid","Crystal Growth & Design","2008","8","10","3586","","10.1021/cg8000398","","","0.71073","MoKα","","0.0256","0.0234","","","0.0716","0.0731","","","","","","1.016","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503562","12.242","0.002","12.5584","0.0019","13.0368","0.0018","65.302","0.008","89.321","0.01","68.863","0.009","1675.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 Cd2 N4 O10 -","- C35 H26 Cd2 N4 O10 -","- C70 H52 Cd4 N8 O20 -","2","1","","He, Yin-Hua; Feng, Yun-Long; Lan, You-Zhao; Wen, Yi-Hang","Syntheses, Structures, and Photoluminescence of Four d10Metal−Organic Frameworks Constructed from 3,5-Bis-oxyacetate-benzoic Acid","Crystal Growth & Design","2008","8","10","3586","","10.1021/cg8000398","","","0.71073","MoKα","","0.0504","0.0374","","","0.1071","0.1155","","","","","","1.002","","","","has coordinates,has disorder","179569","2020-10-21","18:00:00",""
"4503563","14.906","0.003","10.362","0.002","8.946","0.0018","90","","105.42","0.03","90","","1332","0.5","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O10 Zn2 -","- C11 H10 O10 Zn2 -","- C44 H40 O40 Zn8 -","4","1","","He, Yin-Hua; Feng, Yun-Long; Lan, You-Zhao; Wen, Yi-Hang","Syntheses, Structures, and Photoluminescence of Four d10Metal−Organic Frameworks Constructed from 3,5-Bis-oxyacetate-benzoic Acid","Crystal Growth & Design","2008","8","10","3586","","10.1021/cg8000398","","","0.71073","MoKα","","0.0289","0.0243","","","0.0762","0.0801","","","","","","1.007","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503564","9.82","0.002","11.824","0.002","12.05","0.002","116.65","0.03","102.36","0.03","96.21","0.03","1187.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H39 N4 O19.5 Zn4 -","- C43 H39 N4 O19.5 Zn4 -","- C43 H39 N4 O19.5 Zn4 -","1","0.5","","He, Yin-Hua; Feng, Yun-Long; Lan, You-Zhao; Wen, Yi-Hang","Syntheses, Structures, and Photoluminescence of Four d10Metal−Organic Frameworks Constructed from 3,5-Bis-oxyacetate-benzoic Acid","Crystal Growth & Design","2008","8","10","3586","","10.1021/cg8000398","","","0.71073","MoKα","","","0.0326","","","0.1061","0.1119","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503565","16.416","0.002","9.0828","0.0011","18.674","0.002","90","","101.831","0.002","90","","2725.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 Br4 N3 O0 Pb -","- C6 H9 Br4 N3 Pb -","- C48 H72 Br32 N24 Pb8 -","8","1","","Li, Yinyan; Zheng, Guoli; Lin, Cuikun; Lin, Jun","New Organic‒Inorganic Perovskite Materials with Different Optical Properties Modulated by Different Inorganic Sheets","Crystal Growth & Design","2008","8","6","1990","","10.1021/cg800047p","","","0.71073","MoKα","","0.0844","0.0764","","","0.1864","0.1944","","","","","","1.04","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503566","16.8125","0.0009","8.4528","0.0004","19.4257","0.001","90","","90","","90","","2760.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5.33 H8 Br3.56 N2.67 Pb0.89 -","- C5.33333 H8 Br3.55556 N2.66667 Pb0.888889 -","- C48 H72 Br32 N24 Pb8 -","9","1.125","","Li, Yinyan; Zheng, Guoli; Lin, Cuikun; Lin, Jun","New Organic‒Inorganic Perovskite Materials with Different Optical Properties Modulated by Different Inorganic Sheets","Crystal Growth & Design","2008","8","6","1990","","10.1021/cg800047p","","","0.71073","MoKα","","0.0752","0.0414","","","0.0818","0.0924","","","","","","0.997","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503567","12.6751","0.0006","12.6751","0.0006","32.243","0.003","90","","90","","120","","4486.1","0.5","130","1","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C74 H48 Cd2 N12 P2 -","- C74 H47.94 Cd2 N12 P2 -","- C222 H143.82 Cd6 N36 P6 -","3","0.166667","","Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard","A New Approach to TCNQ-Based Coordination Polymers via TCNQH2","Crystal Growth & Design","2008","8","4","1123","","10.1021/cg800048e","","","0.71073","MoKα","","0.0374","0.0314","","","0.0745","0.0767","","","","","","1.102","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503568","7.4415","0.0006","21.6629","0.0018","7.6726","0.0006","90","","108.05","0.001","90","","1175.99","0.16","294","2","294","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- Cs2 Hg3 I8 -","- Cs2 Hg3 I8 -","- Cs4 Hg6 I16 -","2","0.5","","Zhang, Gang; Qin, Jingui; Liu, Tao; Zhu, Tianxiang; Fu, Peizhen; Wu, Yicheng; Chen, Chuangtian","Synthesis, Characterization, and Crystal Growth of Cs2Hg3I8: A New Second-Order Nonlinear Optical Material","Crystal Growth & Design","2008","8","8","2946","","10.1021/cg800054x","","","0.71073","MoKα","","0.065","0.0611","","","0.1499","0.1554","","","","","","1.1","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503569","22.121","0.005","21.272","0.005","14.977","0.005","90","0.005","95.371","0.005","90","0.005","7017","3","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H63 N6 O19 P6 -","- C70 H63 N6 O19 P6 -","- C280 H252 N24 O76 P24 -","4","1","","Beckmann, Jens; Rüttinger, Roman; Schwich, Torsten","1,3,5-Benzene-tri-p-phenylphosphonic Acid. A New Building Block in Supramolecular Chemistry","Crystal Growth & Design","2008","8","9","3271","","10.1021/cg8000569","","","0.71069","MoKα","","0.063","0.0484","","","0.1224","0.1354","","","","","","1.035","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503570","13.4702","0.001","13.4702","0.001","31.214","0.002","90","","90","","120","","4904.9","0.6","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52 H44 N2 O36 P6 Zn9 -","- C51.9992 H43.9998 N2 O36.0002 P6 Zn9 -","- C155.998 H131.999 N6 O108.001 P18 Zn27 -","3","0.166667","","Li, Jin-Tang; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Zheng, Li-Min","Zinc 4-Carboxyphenylphosphonates with Pillared Layered Framework Structures Containing Large 12-Membered Rings Built Up from Tetranuclear Zn4Clusters and CPO3Linkages","Crystal Growth & Design","2008","8","8","2950","","10.1021/cg8000653","","","0.71073","MoKα","","0.0592","0.0431","","","0.0969","0.1008","","","","","","1.029","","","","has coordinates,has disorder","179569","2020-10-21","18:00:00",""
"4503571","13.3374","0.001","13.3374","0.001","31.652","0.005","90","","90","","120","","4876.1","0.9","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H31 N2 O18 P3 Zn4 -","- C27 H31 N2 O18 P3 Zn4 -","- C162 H186 N12 O108 P18 Zn24 -","6","0.333333","","Li, Jin-Tang; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Zheng, Li-Min","Zinc 4-Carboxyphenylphosphonates with Pillared Layered Framework Structures Containing Large 12-Membered Rings Built Up from Tetranuclear Zn4Clusters and CPO3Linkages","Crystal Growth & Design","2008","8","8","2950","","10.1021/cg8000653","","","0.71073","MoKα","","0.0753","0.0572","","","0.1581","0.166","","","","","","1.062","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503572","5.4287","0.0011","9.8286","0.0016","10.23","0.003","96.453","0.016","91.23","0.02","91.339","0.014","542.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H13 Co O10 -","- C5 H Co O10 -","- C10 H2 Co2 O20 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","(4,4) Rectangular Lattices of Cobalt(II) with 1,2,4,5-Benzenetetracarboxylic Acid: Influence of the Packing in the Crystal Structure†","Crystal Growth & Design","2008","8","11","3984","","10.1021/cg800067k","","x-ray","0.71073","Mokα","","0.1069","0.0694","","","0.1699","0.1899","","","","","","1.022","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503573","10.847","0.002","11.107","0.002","11.483","0.002","82.93","0.03","63.02","0.03","62.12","0.03","1082.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H26 Co2 O20 -","- C10 H26 Co2 O20 -","- C20 H52 Co4 O40 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","(4,4) Rectangular Lattices of Cobalt(II) with 1,2,4,5-Benzenetetracarboxylic Acid: Influence of the Packing in the Crystal Structure†","Crystal Growth & Design","2008","8","11","3984","","10.1021/cg800067k","","x-ray","0.7293","synchrotron","","0.0337","0.0324","","","0.0965","0.0987","","","","","","1.075","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503574","18.083","0.0005","13.541","0.0005","18.064","0.0005","90","","113.408","0.005","90","","4059.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Co2 O18 -","- C10 H2 Co2 O18 -","- C80 H16 Co16 O144 -","8","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","(4,4) Rectangular Lattices of Cobalt(II) with 1,2,4,5-Benzenetetracarboxylic Acid: Influence of the Packing in the Crystal Structure†","Crystal Growth & Design","2008","8","11","3984","","10.1021/cg800067k","","x-ray","0.71073","Mokα","","0.0664","0.055","","","0.1502","0.1604","","","","","","1.277","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503575","19.8543","0.0014","25.4617","0.0014","28.331","0.002","90","","90","","90","","14322","1.6","183","2","183","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C76 H116 N24 Ni8 O74 -","- C76 H80 N24 Ni8 O74 -","- C304 H320 N96 Ni32 O296 -","4","0.125","","Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi","Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions","Crystal Growth & Design","2008","8","7","2458","","10.1021/cg8000762","","","0.71073","MoKα","","0.0959","0.0754","","","0.2209","0.2511","","","","","","1.052","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4503576","30.47","0.002","17.22","0.0018","32.78","0.002","90","","114.55","0.002","90","","15645","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H160 K20 N24 Ni8 O122 -","- C60 H12 K20 N24 Ni8 O122 -","- C240 H48 K80 N96 Ni32 O488 -","4","0.5","","Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi","Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions","Crystal Growth & Design","2008","8","7","2458","","10.1021/cg8000762","","","0.71069","MoKα","","0.2042","0.1772","","","0.5427","0.6125","","","","","","1.367","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4503577","26.673","0.002","17.1947","0.0014","17.6133","0.0015","90","","113.291","0.001","90","","7419.8","1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H28 K5 N6 Ni2 O24.5 -","- C15 H3 K5 N6 Ni2 O24.5 -","- C120 H24 K40 N48 Ni16 O196 -","8","1","","Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi","Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions","Crystal Growth & Design","2008","8","7","2458","","10.1021/cg8000762","","","0.71073","MoKα","","0.1184","0.0905","","","0.2437","0.2696","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503578","26.4185","0.0009","17.164","0.0006","29.4732","0.001","90","","109.447","0.002","90","","12602.1","0.8","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 K20 N24 Ni8 O77 -","- C60 H12 K20 N24 Ni8 O77 -","- C240 H48 K80 N96 Ni32 O308 -","4","0.5","","Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi","Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions","Crystal Growth & Design","2008","8","7","2458","","10.1021/cg8000762","","","1.54178","CuKα","","0.154","0.106","","","0.2961","0.3433","","","","","","1.102","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503579","12.2318","0.0007","21.2625","0.0012","12.6303","0.0007","90","","111.911","0.001","90","","3047.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Br2 N28 O20 -","- C50 H72 Br2 N28 O20 -","- C100 H144 Br4 N56 O40 -","2","0.5","","Sun, Xuzhuo; Li, Bo; Zhou, Qiongbo; Zhang, Haibo; Cheng, Gongzhen; Zhou, Xiaohai","Pseudopolyrotaxanes of Cucurbit[6]uril: A Novel Three-Dimensional Network Self-Assembled by (H2O)3Clusters and Br−(H2O)3Anion Clusters","Crystal Growth & Design","2008","8","8","2970","","10.1021/cg8000784","","","0.71073","MoKα","","0.0798","0.0602","","","0.1779","0.1879","","","","","","1.035","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503580","19.631","0.004","21.335","0.004","16.114","0.003","90","","91.58","0.03","90","","6746","2","298","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 N12 Ni3 O20 -","- C54 H36 N12 Ni3 O20 -","- C216 H144 N48 Ni12 O80 -","4","0.5","","Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min","Self-Penetrating and Interpenetrating 3D Metal−Organic Frameworks Constructed from the Rigid 1,4-Bis(1-imidazolyl)-benzene Ligand and Aromatic Carboxylate","Crystal Growth & Design","2008","8","10","3602","","10.1021/cg800087q","","x-ray","0.71073","MoKα","","0.1215","0.069","","","0.1896","0.2207","","","","","","1.016","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503581","12.719","0.003","10.405","0.002","16.21","0.003","90","","113.52","0.03","90","","1967","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Mn N4 O6 -","- C21 H14 Mn N4 O6 -","- C84 H56 Mn4 N16 O24 -","4","1","","Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min","Self-Penetrating and Interpenetrating 3D Metal−Organic Frameworks Constructed from the Rigid 1,4-Bis(1-imidazolyl)-benzene Ligand and Aromatic Carboxylate","Crystal Growth & Design","2008","8","10","3602","","10.1021/cg800087q","","x-ray","0.71073","MoKα","","0.064","0.0398","","","0.0822","0.0906","","","","","","1.032","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503582","8.7128","0.0017","9.6086","0.0019","12.5","0.003","71.31","0.03","89.72","0.03","80.33","0.03","975.9","0.4","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 N8 Ni2 O11 -","- C40 H28 N8 Ni2 O11 -","- C40 H28 N8 Ni2 O11 -","1","0.5","","Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min","Self-Penetrating and Interpenetrating 3D Metal−Organic Frameworks Constructed from the Rigid 1,4-Bis(1-imidazolyl)-benzene Ligand and Aromatic Carboxylate","Crystal Growth & Design","2008","8","10","3602","","10.1021/cg800087q","","x-ray","0.71073","MoKα","","0.0767","0.053","","","0.1435","0.1596","","","","","","1.045","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503583","10.144","0.002","13.937","0.003","15.24","0.003","116.36","0.03","101.66","0.03","91.11","0.03","1876","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H58 Mn4 N16 O17 -","- C80 H56 Mn4 N16 O17 -","- C80 H56 Mn4 N16 O17 -","1","0.5","","Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min","Self-Penetrating and Interpenetrating 3D Metal−Organic Frameworks Constructed from the Rigid 1,4-Bis(1-imidazolyl)-benzene Ligand and Aromatic Carboxylate","Crystal Growth & Design","2008","8","10","3602","","10.1021/cg800087q","","x-ray","0.71073","MoKα","","0.201","0.0942","","","0.2015","0.2507","","","","","","0.966","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503584","14.959","0.003","9.0758","0.0016","22.131","0.004","90","","90","","90","","3004.6","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 N2 O8 -","- C34 H32 N2 O8 -","- C136 H128 N8 O32 -","4","0.5","","Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini","Guest Control in the Self-Assembly of H-Shaped Host to Cyclopentanoid (5,43) Net","Crystal Growth & Design","2008","8","5","1471","","10.1021/cg800089v","","","0.71073","MoKα","","0.1144","0.0582","","","0.106","0.125","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503585","5.277","0.0009","16.174","0.003","18.145","0.003","90","","95.934","0.003","90","","1540.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N2 O8 -","- C34 H32 N2 O8 -","- C68 H64 N4 O16 -","2","0.5","","Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini","Guest Control in the Self-Assembly of H-Shaped Host to Cyclopentanoid (5,43) Net","Crystal Growth & Design","2008","8","5","1471","","10.1021/cg800089v","","","0.71073","MoKα","","0.1471","0.0593","","","0.1129","0.1398","","","","","","0.974","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503586","9.992","0.002","18.203","0.004","12.043","0.002","90","","108.2","0.03","90","","2080.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cl6 O4 -","- C42 H44 Cl6 O4 -","- C84 H88 Cl12 O8 -","2","0.5","","Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini","Guest Control in the Self-Assembly of H-Shaped Host to Cyclopentanoid (5,43) Net","Crystal Growth & Design","2008","8","5","1471","","10.1021/cg800089v","","","0.71073","MoKα","","0.1022","0.0718","","","0.1725","0.1896","","","","","","1.037","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503587","5.2432","0.0007","12.1351","0.0016","14.5958","0.0018","79.407","0.002","79.795","0.002","86.917","0.002","898.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H48 N2 O8 -","- C42 H48 N2 O8 -","- C42 H48 N2 O8 -","1","0.5","","Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini","Guest Control in the Self-Assembly of H-Shaped Host to Cyclopentanoid (5,43) Net","Crystal Growth & Design","2008","8","5","1471","","10.1021/cg800089v","","","0.71073","MoKα","","0.1319","0.0655","","","0.1213","0.1448","","","","","","1.001","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503588","10.187","0.0002","13.4049","0.0003","10.6494","0.0002","90","","92.792","0.002","90","","1452.51","0.05","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-[4-(N-Phthalimido)-2-butenyl]uracil","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C64 H52 N12 O16 -","4","1","","Cetina, Mario; Nagl, Ante; Krištafor, Vedran; Benci, Krešimir; Mintas, Mladen","The Supramolecular Assemblies ofN-Phthalimide Protected (E)- and (Z)-4-Amino-2-butenyl 5-Substituted Pyrimidine Derivatives: From Dimers to Two-Dimensional and Three-Dimensional Networks","Crystal Growth & Design","2008","8","8","2975","","10.1021/cg800090n","","","0.71073","MoKα","","0.0461","0.0368","","","0.1161","0.1239","","","","","","0.972","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503589","9.425","0.0004","9.7967","0.0004","10.3001","0.0003","63.852","0.004","68.655","0.003","63.734","0.004","748.52","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-[4-(N-Phthalimido)-2-butenyl]-5-fluorouracil","","- C16 H12 F N3 O4 -","- C16 H12 F N3 O4 -","- C32 H24 F2 N6 O8 -","2","1","","Cetina, Mario; Nagl, Ante; Krištafor, Vedran; Benci, Krešimir; Mintas, Mladen","The Supramolecular Assemblies ofN-Phthalimide Protected (E)- and (Z)-4-Amino-2-butenyl 5-Substituted Pyrimidine Derivatives: From Dimers to Two-Dimensional and Three-Dimensional Networks","Crystal Growth & Design","2008","8","8","2975","","10.1021/cg800090n","","","0.71073","MoKα","","0.0535","0.0416","","","0.1359","0.1479","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503590","27.2485","0.0006","6.8993","0.0002","18.0188","0.0005","90","","96.858","0.002","90","","3363.22","0.15","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-1-[4-(N-Phthalimido)-2-butenyl]-5-(trifluoromethyl)uracil","","- C17 H12 F3 N3 O4 -","- C17 H12 F3 N3 O4 -","- C136 H96 F24 N24 O32 -","8","1","","Cetina, Mario; Nagl, Ante; Krištafor, Vedran; Benci, Krešimir; Mintas, Mladen","The Supramolecular Assemblies ofN-Phthalimide Protected (E)- and (Z)-4-Amino-2-butenyl 5-Substituted Pyrimidine Derivatives: From Dimers to Two-Dimensional and Three-Dimensional Networks","Crystal Growth & Design","2008","8","8","2975","","10.1021/cg800090n","","","0.71073","MoKα","","0.0782","0.0382","","","0.0996","0.1199","","","","","","0.947","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503591","9.8863","0.0006","10.3331","0.0006","16.5554","0.0009","77.454","0.005","83.765","0.005","61.683","0.006","1453.28","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(Z)-1-[4-(N-Phthalimido)-2-butenyl]-5-fluorouracil","","- C16 H12 F N3 O4 -","- C16 H12 F N3 O4 -","- C64 H48 F4 N12 O16 -","4","2","","Cetina, Mario; Nagl, Ante; Krištafor, Vedran; Benci, Krešimir; Mintas, Mladen","The Supramolecular Assemblies ofN-Phthalimide Protected (E)- and (Z)-4-Amino-2-butenyl 5-Substituted Pyrimidine Derivatives: From Dimers to Two-Dimensional and Three-Dimensional Networks","Crystal Growth & Design","2008","8","8","2975","","10.1021/cg800090n","","","0.71073","MoKα","","0.0916","0.042","","","0.1005","0.1252","","","","","","0.922","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503592","14.1071","0.0012","9.5108","0.0008","15.4049","0.0013","90","","113.802","0.001","90","","1891.1","0.3","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H24 N18 Zn3 -","- C36 H24 N18 Zn3 -","- C72 H48 N36 Zn6 -","2","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Xing, Yan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Assembly of a Chiral Bikitaite Zeolite Metal−Organic Framework Based on the Asymmetrical Tetrahedral Building Blocks","Crystal Growth & Design","2008","8","8","2986","","10.1021/cg800103b","","","0.71073","MoKα","","0.0499","0.0341","","","0.0605","0.0653","","","","","","0.96","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503593","45.571","0.006","45.571","0.006","20.27","0.004","90","","90","","120","","36455","10","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H12 Cu4 N4 O20 -","- C32 H12 Cu4 N4 O20 -","- C576 H216 Cu72 N72 O360 -","18","1","","Xue, Ming; Zhu, Guangshan; Li, Yangxue; Zhao, Xiaojun; Jin, Zhao; Kang, Enhua; Qiu, Shilun","Structure, Hydrogen Storage, and Luminescence Properties of Three 3D Metal−Organic Frameworks with NbO and PtS Topologies","Crystal Growth & Design","2008","8","7","2478","","10.1021/cg8001114","","","0.71073","MoKα","","0.1897","0.0923","","","0.1383","0.1516","","","","","","0.952","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503594","23.516","0.0011","15.1207","0.0007","12.8597","0.0006","90","","90","","90","","4572.6","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H27 Cd2 N7 O13 -","- C31 H27 Cd2 N7 O13 -","- C124 H108 Cd8 N28 O52 -","4","1","","Xue, Ming; Zhu, Guangshan; Li, Yangxue; Zhao, Xiaojun; Jin, Zhao; Kang, Enhua; Qiu, Shilun","Structure, Hydrogen Storage, and Luminescence Properties of Three 3D Metal−Organic Frameworks with NbO and PtS Topologies","Crystal Growth & Design","2008","8","7","2478","","10.1021/cg8001114","","","0.71073","MoKα","","0.1032","0.0582","","","0.1501","0.1669","","","","","","1.001","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503595","11.3667","0.001","22.1056","0.0019","9.6677","0.0009","90","","102.986","0.002","90","","2367.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Mn N4 O10 -","- C22 H22 Mn N4 O10 -","- C88 H88 Mn4 N16 O40 -","4","1","","Xue, Ming; Zhu, Guangshan; Li, Yangxue; Zhao, Xiaojun; Jin, Zhao; Kang, Enhua; Qiu, Shilun","Structure, Hydrogen Storage, and Luminescence Properties of Three 3D Metal−Organic Frameworks with NbO and PtS Topologies","Crystal Growth & Design","2008","8","7","2478","","10.1021/cg8001114","","","0.71073","MoKα","","0.0714","0.0394","","","0.0779","0.0859","","","","","","1.003","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503596","21.8351","0.0015","15.518","0.0006","19.7104","0.0012","90","","116.585","0.005","90","","5972.5","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H44 N6 O0.5 -","- C29.5 H44 N6 O0.5 -","- C236 H352 N48 O4 -","8","2","","Yi, Chenyi; Blum, Carmen; Liu, Shi-Xia; Ran, Ying-Fen; Frei, Gabriela; Neels, Antonia; Stoeckli-Evans, Helen; Calzaferri, Gion; Leutwyler, Samuel; Decurtins, Silvio","A Layered Red-Emitting Chromophoric Organic Salt","Crystal Growth & Design","2008","8","8","3004","","10.1021/cg800122v","","","0.71073","MoKα","","0.1173","0.0612","","","0.1444","0.1656","","","","","","0.938","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503597","15.837","0.003","5.491","0.001","11.723","0.002","90","","99.76","0.01","90","","1004.7","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Phenylamino)nicotinic acid","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Long, Sihui; Parkin, Sean; Siegler, Maxime A.; Cammers, Arthur; Li, Tonglei","Polymorphism and Phase Behaviors of 2-(Phenylamino)nicotinic Acid","Crystal Growth & Design","2008","8","11","4006","","10.1021/cg800123z","","","0.71073","MoKα","","0.0561","0.0417","","","0.1053","0.1144","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503598","9.9111","0.0001","10.1907","0.0002","11.2941","0.0002","96.7598","0.0006","114.239","0.0007","96.655","0.0006","1015.79","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","2-(Phenylamino)nicotinic acid","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","2","","Long, Sihui; Parkin, Sean; Siegler, Maxime A.; Cammers, Arthur; Li, Tonglei","Polymorphism and Phase Behaviors of 2-(Phenylamino)nicotinic Acid","Crystal Growth & Design","2008","8","11","4006","","10.1021/cg800123z","","","0.71073","MoKα","","0.0719","0.0477","","","0.1326","0.149","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503599","21.48","0.002","7.205","0.0008","28.057","0.003","90","","110.467","0.003","90","","4068.1","0.7","90","0.2","90","0.2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-(Phenylamino)nicotinic acid","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C192 H160 N32 O32 -","16","4","","Long, Sihui; Parkin, Sean; Siegler, Maxime A.; Cammers, Arthur; Li, Tonglei","Polymorphism and Phase Behaviors of 2-(Phenylamino)nicotinic Acid","Crystal Growth & Design","2008","8","11","4006","","10.1021/cg800123z","","","1.54178","CuKα","","0.0409","0.039","","","0.1127","0.1142","","","","","","1.123","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503600","5.2868","0.0001","9.0544","0.0003","11.0476","0.0004","80.7188","0.0012","82.7611","0.0013","79.9327","0.0013","511.27","0.03","90","0.2","90","0.2","","","","","","","","4","P 1","P 1","1","","2-(Phenylamino)nicotinic acid","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C24 H20 N4 O4 -","2","2","","Long, Sihui; Parkin, Sean; Siegler, Maxime A.; Cammers, Arthur; Li, Tonglei","Polymorphism and Phase Behaviors of 2-(Phenylamino)nicotinic Acid","Crystal Growth & Design","2008","8","11","4006","","10.1021/cg800123z","","","0.71073","MoKα","","0.0906","0.0551","","","0.1175","0.1335","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503601","8.7092","0.0005","18.51","0.0009","8.2392","0.0004","90","","108.946","0.001","90","","1256.26","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H32 Ce2 Cl6 O8 -","- C8 H32 Ce2 Cl6 O8 -","- C16 H64 Ce4 Cl12 O16 -","2","0.5","","Chakoumakos, B. C.; Custelcean, R.; Ramey, J. O.; Kolopus, J. A.; Jin, Rongying; Neal, J. S.; Wisniewski, D. J.; Boatner, L. A.","Cerium Chloride−methanol Adduct Crystals, CeCl3(CH3OH)4: Preparation, Crystallography, And Scintillation Properties","Crystal Growth & Design","2008","8","7","2070","","10.1021/cg800136p","","","0.71073","MoKα","","0.0141","0.0137","","","0.034","0.0343","","","","","","1.096","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503602","11.6266","0.001","7.7488","0.0007","13.1143","0.0011","90","","102.664","0.002","90","","1152.75","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-HCl","","","- C11 H11 Cl N4 O -","- C11 H11 Cl N4 O -","- C44 H44 Cl4 N16 O4 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.039","0.0355","","","0.0963","0.0995","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503603","11.8359","0.0014","7.6971","0.0009","13.3409","0.0016","90","","102.711","0.002","90","","1185.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-HBr","","","- C11 H11 Br N4 O -","- C11 H11 Br N4 O -","- C44 H44 Br4 N16 O4 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.0385","0.0293","","","0.0758","0.0809","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503604","12.1613","0.0006","7.7888","0.0004","13.5764","0.0006","90","","102.682","0.001","90","","1254.61","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 I N4 O -","- C11 H11 I N4 O -","- C44 H44 I4 N16 O4 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.0226","0.02","","","0.0496","0.0513","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503605","12.5138","0.0006","7.2841","0.0003","13.799","0.0006","90","","103.297","0.001","90","","1224.08","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N5 O4 -","- C11 H11 N5 O4 -","- C44 H44 N20 O16 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.0462","0.0411","","","0.1097","0.1142","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503606","12.5996","0.001","7.8381","0.0006","13.9893","0.0011","90","","102.969","0.002","90","","1346.3","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl N4 O5 -","- C11 H11 Cl N4 O5 -","- C44 H44 Cl4 N16 O20 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.07","0.0643","","","0.1885","0.1971","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503607","12.2248","0.001","7.6978","0.0006","13.6339","0.0011","90","","102.819","0.001","90","","1251.03","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 I0.78 N4.22 O1.66 -","- C11 H11 I0.778 N4.222 O1.666 -","- C44 H44 I3.112 N16.888 O6.664 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.0377","0.0342","","","0.0897","0.0933","","","","","","1.069","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503608","12.3212","0.0017","7.824","0.0011","13.727","0.002","90","","102.897","0.003","90","","1289.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl0.39 I0.61 N4 O2.56 -","- C11 H11 Cl0.389 I0.611 N4 O2.556 -","- C44 H44 Cl1.556 I2.444 N16 O10.224 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.05","0.0383","","","0.098","0.1074","","","","","","1.075","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503609","12.1261","0.0005","7.7747","0.0003","13.5613","0.0006","90","","102.721","0.001","90","","1247.13","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br0.18 I0.82 N4 O -","- C11 H11 Br0.175 I0.825 N4 O -","- C44 H44 Br0.7 I3.3 N16 O4 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.0206","0.0184","","","0.0489","0.0506","","","","","","1.055","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503610","12.1661","0.001","7.7894","0.0007","13.5686","0.0011","90","","102.692","0.002","90","","1254.43","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl0.07 I0.93 N4 O -","- C11 H11 Cl0.065 I0.935 N4 O -","- C44 H44 Cl0.26 I3.74 N16 O4 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.0179","0.0164","","","0.0421","0.0455","","","","","","1.074","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503611","12.309","0.002","7.7389","0.0013","13.703","0.002","90","","102.853","0.003","90","","1272.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl0.53 I0.47 N4 O3.12 -","- C11 H11 Cl0.532 I0.468 N4 O3.128 -","- C44 H44 Cl2.128 I1.872 N16 O12.512 -","4","1","","Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua","Hydrogen-Bonded Helices for Anion Binding and Separation","Crystal Growth & Design","2008","8","6","1909","","10.1021/cg800137e","","","0.71073","MoKα","","0.0783","0.0563","","","0.1462","0.1622","","","","","","1.04","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503612","7.4368","0.0002","10.5408","0.0003","13.3439","0.0003","106.984","0.0012","93.0774","0.0012","109.872","0.0012","927.12","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br Mn N11 O -","- C13 H11 Br Mn N11 O -","- C26 H22 Br2 Mn2 N22 O2 -","2","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","Three Azido-Bridged Mn(II) Complexes Based on Open-Chain Diazine Schiff-base Ligands: Crystal Structures and Magnetic Properties","Crystal Growth & Design","2008","8","9","3295","","10.1021/cg800138x","","","0.71073","MoKα","","0.0929","0.0486","","","0.119","0.132","","","","","","0.98","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503613","12.1152","0.0003","19.4631","0.0004","6.5644","0.0001","90","","90.4206","0.0008","90","","1547.84","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Mn N10 -","- C13 H9 Mn N10 -","- C52 H36 Mn4 N40 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","Three Azido-Bridged Mn(II) Complexes Based on Open-Chain Diazine Schiff-base Ligands: Crystal Structures and Magnetic Properties","Crystal Growth & Design","2008","8","9","3295","","10.1021/cg800138x","","","0.71073","MoKα","","0.0741","0.0373","","","0.0935","0.1017","","","","","","0.991","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503614","7.3959","0.0003","11.6846","0.0005","19.2198","0.0009","72.4397","0.0018","87.4181","0.0016","86.092","0.002","1579.33","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Mn2 N20 -","- C26 H24 Mn2 N20 -","- C52 H48 Mn4 N40 -","2","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","Three Azido-Bridged Mn(II) Complexes Based on Open-Chain Diazine Schiff-base Ligands: Crystal Structures and Magnetic Properties","Crystal Growth & Design","2008","8","9","3295","","10.1021/cg800138x","","","0.71073","MoKα","","0.0987","0.0376","","","0.0737","0.0852","","","","","","0.875","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503615","7.6227","0.0005","12.3715","0.0007","15.6036","0.0009","107.911","0.001","103.217","0.001","95.312","0.001","1341.84","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 N6 O26 Pd -","- C56 H44 N6 O26 Pd -","- C56 H44 N6 O26 Pd -","1","0.5","","Kwon, Soon Sik; Cha, Moon Soon; Lee, Ji Eun; Lee, Shim Sung; Jung, Ok-Sang","Subtle Ligand Effects on the Formation and Behavior of Inorganic Guest−Organic Host Supramolecular System","Crystal Growth & Design","2008","8","7","2073","","10.1021/cg800140s","","","0.71073","MoKα","","0.027","0.0264","","","0.0683","0.0686","","","","","","1.156","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503616","9.24","0.0005","11.8761","0.0006","12.9567","0.0007","65.267","0.001","88.59","0.001","82.44","0.001","1279.42","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N4 O12 Pd0.5 -","- C27 H19 N4 O12 Pd0.5 -","- C54 H38 N8 O24 Pd -","2","1","","Kwon, Soon Sik; Cha, Moon Soon; Lee, Ji Eun; Lee, Shim Sung; Jung, Ok-Sang","Subtle Ligand Effects on the Formation and Behavior of Inorganic Guest-Organic Host Supramolecular System","Crystal Growth & Design","2008","8","7","2073","2075","10.1021/cg800140s","","","0.71073","MoKα","","0.0404","0.0338","","","0.0803","0.0838","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503617","8.3065","0.0005","14.7815","0.0009","15.1488","0.0009","90","","92.842","0.001","90","","1857.72","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N4 O7 Pd0.5 -","- C19 H17 N4 O7 Pd0.5 -","- C76 H68 N16 O28 Pd2 -","4","1","","Kwon, Soon Sik; Cha, Moon Soon; Lee, Ji Eun; Lee, Shim Sung; Jung, Ok-Sang","Subtle Ligand Effects on the Formation and Behavior of Inorganic Guest-Organic Host Supramolecular System","Crystal Growth & Design","2008","8","7","2073","2075","10.1021/cg800140s","","","0.71073","MoKα","","0.1015","0.0451","","","0.095","0.1324","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503618","9.1376","0.0005","15.4194","0.0009","8.5106","0.0005","90","","102.66","0.003","90","","1169.96","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O7 Tb -","- C12 H9 N O7 Tb -","- C48 H36 N4 O28 Tb4 -","4","1","","Soares-Santos, Paula C. R.; Cunha-Silva, Luís; Paz, Filipe A. Almeida; Ferreira, Rute A. Sá; Rocha, João; Trindade, Tito; Carlos, Luís D.; Nogueira, Helena I. S.","Photoluminescent 3D Lanthanide−Organic Frameworks with 2,5-Pyridinedicarboxylic and 1,4-Phenylenediacetic Acids","Crystal Growth & Design","2008","8","7","2505","","10.1021/cg800153a","","","0.71073","MoKα","","0.0183","0.0149","","","0.0352","0.0364","","","","","","1.089","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503619","9.1341","0.0004","15.4387","0.0006","8.5095","0.0003","90","","102.735","0.002","90","","1170.48","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Eu0.1 N O7 Tb0.9 -","- C12 H9 Eu0.1 N O7 Tb0.9 -","- C48 H36 Eu0.4 N4 O28 Tb3.6 -","4","1","","Soares-Santos, Paula C. R.; Cunha-Silva, Luís; Paz, Filipe A. Almeida; Ferreira, Rute A. Sá; Rocha, João; Trindade, Tito; Carlos, Luís D.; Nogueira, Helena I. S.","Photoluminescent 3D Lanthanide−Organic Frameworks with 2,5-Pyridinedicarboxylic and 1,4-Phenylenediacetic Acids","Crystal Growth & Design","2008","8","7","2505","","10.1021/cg800153a","","","0.71073","MoKα","","0.0156","0.0139","","","0.0331","0.034","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503620","9.1431","0.0006","15.4335","0.001","8.5173","0.0006","90","","102.739","0.003","90","","1172.29","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Eu0.2 N O7 Tb0.8 -","- C12 H9 Eu0.2 N O7 Tb0.8 -","- C48 H36 Eu0.8 N4 O28 Tb3.2 -","4","1","","Soares-Santos, Paula C. R.; Cunha-Silva, Luís; Paz, Filipe A. Almeida; Ferreira, Rute A. Sá; Rocha, João; Trindade, Tito; Carlos, Luís D.; Nogueira, Helena I. S.","Photoluminescent 3D Lanthanide−Organic Frameworks with 2,5-Pyridinedicarboxylic and 1,4-Phenylenediacetic Acids","Crystal Growth & Design","2008","8","7","2505","","10.1021/cg800153a","","","0.71073","MoKα","","0.0151","0.0136","","","0.0316","0.0323","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503621","9.009","0.0005","16.2579","0.0009","8.0584","0.0004","90","","99.408","0.002","90","","1164.42","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Eu N O6 -","- C12 H7 Eu N O6 -","- C48 H28 Eu4 N4 O24 -","4","1","","Soares-Santos, Paula C. R.; Cunha-Silva, Luís; Paz, Filipe A. Almeida; Ferreira, Rute A. Sá; Rocha, João; Trindade, Tito; Carlos, Luís D.; Nogueira, Helena I. S.","Photoluminescent 3D Lanthanide−Organic Frameworks with 2,5-Pyridinedicarboxylic and 1,4-Phenylenediacetic Acids","Crystal Growth & Design","2008","8","7","2505","","10.1021/cg800153a","","","0.71073","MoKα","","0.0184","0.0148","","","0.0306","0.0314","","","","","","1.049","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503622","9.1666","0.0005","15.5309","0.0008","8.5327","0.0004","90","","102.874","0.002","90","","1184.23","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Eu N O7 -","- C12 H9 Eu N O7 -","- C48 H36 Eu4 N4 O28 -","4","1","","Soares-Santos, Paula C. R.; Cunha-Silva, Luís; Paz, Filipe A. Almeida; Ferreira, Rute A. Sá; Rocha, João; Trindade, Tito; Carlos, Luís D.; Nogueira, Helena I. S.","Photoluminescent 3D Lanthanide−Organic Frameworks with 2,5-Pyridinedicarboxylic and 1,4-Phenylenediacetic Acids","Crystal Growth & Design","2008","8","7","2505","","10.1021/cg800153a","","","0.71073","MoKα","","0.0183","0.015","","","0.0324","0.0335","","","","","","1.059","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503623","29.956","0.003","12.2104","0.0014","6.1754","0.0006","90","","94.127","0.009","90","","2252.9","0.4","298.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","stanolone L-tartaric acid 1:1 cocrystal","17B-hydroxy-5A-androstan-3-one L-tartaric acid","","- C23 H36 O8 -","- C23 H36 O8 -","- C92 H144 O32 -","4","2","","Takata, Noriyuki; Shiraki, Koji; Takano, Ryusuke; Hayashi, Yoshiki; Terada, Katsuhide","Cocrystal Screening of Stanolone and Mestanolone Using Slurry Crystallization","Crystal Growth & Design","2008","8","8","3032","","10.1021/cg800156k","","","1.54178","CuKα","","","0.0407","","","","0.102","","","","","","0.999","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503624","13.7783","0.0008","22.924","0.0016","7.719","0.0005","90","","90","","90","","2438.1","0.3","298.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mestanolone salicylic acid 1:1 cocrystal","17B-hydroxy-17A-methyl-5A-androstan-3-one salicylic acid","","- C27 H38 O5 -","- C27 H38 O5 -","- C108 H152 O20 -","4","1","","Takata, Noriyuki; Shiraki, Koji; Takano, Ryusuke; Hayashi, Yoshiki; Terada, Katsuhide","Cocrystal Screening of Stanolone and Mestanolone Using Slurry Crystallization","Crystal Growth & Design","2008","8","8","3032","","10.1021/cg800156k","","","1.54178","CuKα","","","0.0443","","","","0.1202","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503625","6.4321","0.0006","21.773","0.002","6.3848","0.0008","90","","104.482","0.008","90","","865.76","0.16","298.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","mestanolone","17B-hydroxy-17A-methyl-5A-androstan-3-one","","- C20 H32 O2 -","- C20 H32 O2 -","- C40 H64 O4 -","2","1","","Takata, Noriyuki; Shiraki, Koji; Takano, Ryusuke; Hayashi, Yoshiki; Terada, Katsuhide","Cocrystal Screening of Stanolone and Mestanolone Using Slurry Crystallization","Crystal Growth & Design","2008","8","8","3032","","10.1021/cg800156k","","","1.54178","CuKα","","","0.035","","","","0.0858","","","","","","1.013","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503626","14.31","0.0017","29.265","0.003","11.073","0.0013","90","","104.228","0.002","90","","4494.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H70 N4 O36 Zn8 -","- C94 H70 N4 O36 Zn8 -","- C188 H140 N8 O72 Zn16 -","2","0.5","","Lan, Ya-Qian; Li, Shun-Li; Shao, Kui-Zhan; Wang, Xin-Long; Du, Dong-Ying; Su, Zhong-Min; Wang, De-Jun","A (3,12)-Connected 3D Metal-Organic Framework Based on Nanosized Octanuclear Zinc Clusters","Crystal Growth & Design","2008","8","10","3490","","10.1021/cg800169n","","","0.71069","MoKα","","0.0889","0.0604","","","0.1142","0.1241","","","","","","1.063","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503627","5.7611","0.0003","12.2633","0.0006","10.3091","0.0005","90","","94.475","0.001","90","","726.12","0.06","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Hauser, Melanie R.; Zhakarov, Lev; Doxsee, Kenneth M.; Li, Tonglei","Polymorphism of a Simple Organic Amide","Crystal Growth & Design","2008","8","12","4428","","10.1021/cg800171h","","","0.71073","MoKα","","0.0401","0.0377","","","0.1007","0.1039","","","","","","1.019","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503628","14.167","0.003","5.6343","0.0013","18.694","0.005","90","","90","","90","","1492.2","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Hauser, Melanie R.; Zhakarov, Lev; Doxsee, Kenneth M.; Li, Tonglei","Polymorphism of a Simple Organic Amide","Crystal Growth & Design","2008","8","12","4428","","10.1021/cg800171h","","","0.71073","MoKα","","0.0452","0.0389","","","0.1035","0.1086","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503629","9.5364","0.0017","11.326","0.002","13.502","0.002","65.312","0.003","88.844","0.003","87.819","0.003","1324.1","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 F3 N4 O4 S -","- C29 H21 F3 N4 O4 S -","- C58 H42 F6 N8 O8 S2 -","2","1","","Stanton, Mary K.; Bak, Annette","Physicochemical Properties of Pharmaceutical Co-Crystals: A Case Study of Ten AMG 517 Co-Crystals","Crystal Growth & Design","2008","8","10","3856","","10.1021/cg800173d","","","0.71073","MoKα","","0.0773","0.0514","","","0.1065","0.117","","","","","","1.022","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503630","62.498","0.018","8.116","0.002","19.87","0.006","90","","94.141","0.009","90","","10052","5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F3 N4 O4 S -","- C26 H23 F3 N4 O4 S -","- C416 H368 F48 N64 O64 S16 -","16","2","","Stanton, Mary K.; Bak, Annette","Physicochemical Properties of Pharmaceutical Co-Crystals: A Case Study of Ten AMG 517 Co-Crystals","Crystal Growth & Design","2008","8","10","3856","","10.1021/cg800173d","","","0.71073","MoKα","","0.0903","0.0473","","","0.0696","0.0792","","","","","","0.949","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503631","14.472","0.005","27.273","0.009","17.893","0.004","90","","124.705","0.018","90","","5806","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu2 [C12H8N2]2 [C28H20S4O16] 11.94H2O","","","- C52 H59.88 Cu2 N4 O27.94 S4 -","- C52 H36 Cu2 N4 O27.94 S4 -","- C208 H144 Cu8 N16 O111.76 S16 -","4","1","","Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie","Assembly of Supramolecular Compounds with Water-Soluble Calix[4]arenes","Crystal Growth & Design","2008","8","10","3630","","10.1021/cg800177m","","","0.71073","MoKα","","0.1234","0.0862","","","0.2178","0.235","","","","","","1.044","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503632","13.472","0.002","18.49","0.003","25.763","0.004","90","","103.212","0.003","90","","6247.6","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu2[C12H8N2]3[C28H20S4O16][H2O]5","","","- C64 H54 Cu2 N6 O21 S4 -","- C64 H54 Cu2 N6 O21 S4 -","- C256 H216 Cu8 N24 O84 S16 -","4","1","","Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie","Assembly of Supramolecular Compounds with Water-Soluble Calix[4]arenes","Crystal Growth & Design","2008","8","10","3630","","10.1021/cg800177m","","","0.71073","MoKα","","0.0849","0.0626","","","0.162","0.178","","","","","","1.013","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503633","14.1565","0.0013","15.063","0.0014","18.9632","0.0017","100.907","0.002","95.045","0.002","109.35","0.002","3696.5","0.6","185","2","185","2","","","","","","","","6","P -1","-P 1","2","Cu2[C12H8N2]4[C24H12S8O16][H2O]10.53","","","- C72 H65.06 Cu2 N8 O26.53 S8 -","- C72 H44 Cu2 N8 O26.53 S8 -","- C144 H88 Cu4 N16 O53.06 S16 -","2","1","","Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie","Assembly of Supramolecular Compounds with Water-Soluble Calix[4]arenes","Crystal Growth & Design","2008","8","10","3630","","10.1021/cg800177m","","","0.71073","MoKα","","0.0911","0.0635","","","0.1472","0.1663","","","","","","1.024","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503634","8.149","0.003","8.149","0.003","22.598","0.008","90","","90","","120","","1299.6","0.8","293","2","293","2","","","","","","","synthesis as described","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mg N O6 -","- C5 H3 Mg N0.99 O6 -","- C30 H18 Mg6 N5.94 O36 -","6","0.166667","","Rossin, Andrea; Ienco, Andrea; Costantino, Ferdinando; Montini, Tiziano; Di Credico, Barbara; Caporali, Maria; Gonsalvi, Luca; Fornasiero, Paolo; Peruzzini, Maurizio","Phase Transitions and CO2Adsorption Properties of Polymeric Magnesium Formate","Crystal Growth & Design","2008","8","9","3302","","10.1021/cg800181q","","x-ray","0.71069","MoKα","","0.0471","0.043","","","0.116","0.1203","","","","","","1.445","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503635","8.65107","0.00031","7.15222","0.00025","9.4041","0.0004","90","","98.1659","0.003","90","","575.97","0.04","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 Mg O6 -","- C2 Mg O6 -","- C8 Mg4 O24 -","4","1","","Rossin, Andrea; Ienco, Andrea; Costantino, Ferdinando; Montini, Tiziano; Di Credico, Barbara; Caporali, Maria; Gonsalvi, Luca; Fornasiero, Paolo; Peruzzini, Maurizio","Phase Transitions and CO2Adsorption Properties of Polymeric Magnesium Formate","Crystal Growth & Design","2008","8","9","3302","","10.1021/cg800181q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503636","9.443","0.005","16.005","0.009","9.108","0.005","90","","98.813","0.008","90","","1360.3","1.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Eu N O7 -","- C10 H9 Eu N O7 -","- C40 H36 Eu4 N4 O28 -","4","1","","Luo, Feng; Che, Yunxia; Zheng, Jimin","Employing La2- (La = Eu, Tb, Pr) or Co3-Based Molecule Building Blocks To Construct 3,8-Connected Nets: Hydrothermal Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","6","2006","","10.1021/cg8001898","","x-ray","0.71073","MoKα","","0.0726","0.0468","","","0.1011","0.1113","","","","","","1.033","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503637","9.12","0.01","14.078","0.014","9.502","0.01","90","","96.391","0.016","90","","1212","2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O7 Tb -","- C10 H7 N O7 Tb -","- C40 H28 N4 O28 Tb4 -","4","1","","Luo, Feng; Che, Yunxia; Zheng, Jimin","Employing La2- (La = Eu, Tb, Pr) or Co3-Based Molecule Building Blocks To Construct 3,8-Connected Nets: Hydrothermal Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","6","2006","","10.1021/cg8001898","","x-ray","0.71073","MoKα","","0.1178","0.0814","","","0.1706","0.1957","","","","","","1.023","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503638","9.092","0.003","15.526","0.006","8.766","0.003","90","","98.396","0.005","90","","1224.2","0.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O7 Pr -","- C10 H9 N O7 Pr -","- C40 H36 N4 O28 Pr4 -","4","1","","Luo, Feng; Che, Yunxia; Zheng, Jimin","Employing La2- (La = Eu, Tb, Pr) or Co3-Based Molecule Building Blocks To Construct 3,8-Connected Nets: Hydrothermal Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","6","2006","","10.1021/cg8001898","","x-ray","0.71073","MoKα","","0.083","0.055","","","0.1284","0.1435","","","","","","1.119","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503639","14.874","0.003","6.8373","0.0014","13.141","0.003","90","","108.51","0.03","90","","1267.3","0.5","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H12 Co3 O16 -","- C24 H12 Co3 O16 -","- C48 H24 Co6 O32 -","2","0.5","","Luo, Feng; Che, Yunxia; Zheng, Jimin","Employing La2- (La = Eu, Tb, Pr) or Co3-Based Molecule Building Blocks To Construct 3,8-Connected Nets: Hydrothermal Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","6","2006","","10.1021/cg8001898","","x-ray","0.71073","MoKα","","0.1458","0.139","","","0.344","0.3486","","","","","","1.015","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503640","5.1386","0.0009","16.668","0.003","19.676","0.003","90","","91.534","0.004","90","","1684.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 S -","- C21 H16 N2 S -","- C84 H64 N8 S4 -","4","1","","Zhang, Xuanjun; Loh, Kian Ping; Sullivan, Michael B.; Chen, Zhi-Kuan; Liu, Minghui","Aggregation Dependent S1 and S2 Dual Emissions of Thiophene−Acrylonitrile−Carbazole Oligomer","Crystal Growth & Design","2008","8","7","2543","","10.1021/cg800190w","","","0.71073","MoKα","","0.1008","0.0698","","","0.1512","0.1677","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503641","4.6889","0.0008","7.3537","0.001","11.0965","0.0013","98.666","0.01","93.323","0.011","98.592","0.012","372.73","0.09","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H10 O4 -","- C22 H10 O4 -","- C22 H10 O4 -","1","0.5","","Käfer, Daniel; El Helou, Mira; Gemel, Christian; Witte, Gregor","Packing of Planar Organic Molecules: Interplay of van der Waals and Electrostatic Interaction","Crystal Growth & Design","2008","8","8","3053","","10.1021/cg800195u","","","0.71073","MoKα","","0.0824","0.0391","","","0.0909","0.0963","","","","","","0.792","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503642","4.7068","0.0006","7.4771","0.0008","11.0772","0.0009","97.875","0.008","93.848","0.009","99.371","0.01","379.41","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H10 O4 -","- C22 H10 O4 -","- C22 H10 O4 -","1","0.5","","Käfer, Daniel; El Helou, Mira; Gemel, Christian; Witte, Gregor","Packing of Planar Organic Molecules: Interplay of van der Waals and Electrostatic Interaction","Crystal Growth & Design","2008","8","8","3053","","10.1021/cg800195u","","","0.71073","MoKα","","0.1106","0.0452","","","0.1042","0.1396","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503643","7.7","0.003","8.298","0.003","10.059","0.003","106.701","0.002","96.24","0.002","114.743","0.003","539.4","0.3","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C4 H6 Cd Cl2 N6 O0 S2 -","- C4 H6 Cd Cl2 N6 S2 -","- C8 H12 Cd2 Cl4 N12 S4 -","2","1","","Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen","Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties","Crystal Growth & Design","2008","8","7","2562","","10.1021/cg800199x","","","0.71073","MoKα","","0.0425","0.0402","","","0.1024","0.1037","","","","","","1.071","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503644","10.877","0.003","7.937","0.003","14.299","0.005","90","","90","","90","","1234.4","0.7","293.15","","293.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C2 H2 Br Cd N3 O0 S -","- C2 H2 Br Cd N3 S -","- C16 H16 Br8 Cd8 N24 S8 -","8","1","","Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen","Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties","Crystal Growth & Design","2008","8","7","2562","","10.1021/cg800199x","","","0.71073","MoKα","","0.0297","0.0256","","","0.0672","0.0697","","","","","","1.025","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503645","11.056","0.003","8.26","0.002","14.512","0.004","90","","90","","90","","1325.3","0.6","293.15","","293.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C2 H2 Cd I N3 S -","- C2 H2 Cd I N3 S -","- C16 H16 Cd8 I8 N24 S8 -","8","1","","Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen","Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties","Crystal Growth & Design","2008","8","7","2562","","10.1021/cg800199x","","","0.71073","MoKα","","0.0244","0.0211","","","0.0551","0.0567","","","","","","1.012","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503646","7.0693","0.0019","12.385","0.003","13.337","0.004","90","","101.55","0.005","90","","1144.1","0.5","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Cd2 N6 O4 S3 -","- C4 H4 Cd2 N6 O4 S3 -","- C16 H16 Cd8 N24 O16 S12 -","4","1","","Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen","Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties","Crystal Growth & Design","2008","8","7","2562","","10.1021/cg800199x","","","0.71073","MoKα","","0.0338","0.0266","","","0.0665","0.1024","","","","","","1.057","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503647","15.598","0.006","7.684","0.003","15.932","0.006","90","","104.432","0.006","90","","1849.3","1.2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cd N5 O9 S -","- C12 H19 Cd N5 O9 S -","- C48 H76 Cd4 N20 O36 S4 -","4","1","","Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen","Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties","Crystal Growth & Design","2008","8","7","2562","","10.1021/cg800199x","","","0.71073","MoKα","","0.0204","0.0192","","","0.0512","0.0521","","","","","","0.971","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503648","6.1204","0.0017","11.225","0.002","6.811","0.002","90","","114.25","0.013","90","","426.64","0.19","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H Cd N3 O0 S -","- C2 H Cd N3 S -","- C8 H4 Cd4 N12 S4 -","4","1","","Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen","Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties","Crystal Growth & Design","2008","8","7","2562","","10.1021/cg800199x","","","0.71073","MoKα","","0.0253","0.0232","","","0.0618","0.0636","","","","","","1.078","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503649","7.213","0.002","11.473","0.003","13.034","0.004","87.71","0.03","75.46","0.03","88.65","0.03","1043.1","0.5","200.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 N16 O2 -","- C46 H32 N16 O2 -","- C46 H32 N16 O2 -","1","0.5","","Murata, Tsuyoshi; Morita, Yasushi; Yakiyama, Yumi; Yamamoto, Yosuke; Yamada, Satoru; Nishimura, Yoshie; Nakasuji, Kazuhiro","Hydrogen-Bond Architectures of Protonated 4,4′-Biimidazolium Derivatives and Oligo(imidazolium)s in Charge-Transfer Salts with Tetracyanoquinodimethane","Crystal Growth & Design","2008","8","8","3058","","10.1021/cg800202n","","","0.7107","MoKα","","","0.0439","","","","0.112","","","","","","1.507","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4503650","7.17","0.001","11.63","0.002","13.215","0.002","88.74","0.01","73.716","0.009","89.33","0.01","1057.5","0.3","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N16 O2 -","- C48 H36 N16 O2 -","- C48 H36 N16 O2 -","1","0.5","","Murata, Tsuyoshi; Morita, Yasushi; Yakiyama, Yumi; Yamamoto, Yosuke; Yamada, Satoru; Nishimura, Yoshie; Nakasuji, Kazuhiro","Hydrogen-Bond Architectures of Protonated 4,4′-Biimidazolium Derivatives and Oligo(imidazolium)s in Charge-Transfer Salts with Tetracyanoquinodimethane","Crystal Growth & Design","2008","8","8","3058","","10.1021/cg800202n","","","1.5419","CuKα","","","0.09","","","","0.268","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503651","7.638","0.003","9.774","0.005","17.002","0.006","91.08","0.02","95.86","0.02","106.24","0.02","1210.8","0.9","200.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H36 N16 O2 -","- C56 H36 N16 O2 -","- C56 H36 N16 O2 -","1","0.5","","Murata, Tsuyoshi; Morita, Yasushi; Yakiyama, Yumi; Yamamoto, Yosuke; Yamada, Satoru; Nishimura, Yoshie; Nakasuji, Kazuhiro","Hydrogen-Bond Architectures of Protonated 4,4′-Biimidazolium Derivatives and Oligo(imidazolium)s in Charge-Transfer Salts with Tetracyanoquinodimethane","Crystal Growth & Design","2008","8","8","3058","","10.1021/cg800202n","","","0.7107","MoKα","","","0.0451","","","","0.1007","","","","","","1.117","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4503652","9.662","0.007","10.205","0.008","10.41","0.009","82.01","0.02","80.33","0.02","72.434","0.019","960.4","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 N12 O2 S2 -","- C41 H28 N12 O2 S1.62 -","- C41 H28 N12 O2 S1.62 -","1","0.5","","Murata, Tsuyoshi; Morita, Yasushi; Yakiyama, Yumi; Yamamoto, Yosuke; Yamada, Satoru; Nishimura, Yoshie; Nakasuji, Kazuhiro","Hydrogen-Bond Architectures of Protonated 4,4′-Biimidazolium Derivatives and Oligo(imidazolium)s in Charge-Transfer Salts with Tetracyanoquinodimethane","Crystal Growth & Design","2008","8","8","3058","","10.1021/cg800202n","","","0.7107","MoKα","","0.0802","0.054","","","0.137","0.1579","","","","","","0.971","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503653","6.582","0.0004","12.876","0.0008","16.301","0.001","72.185","0.004","82.228","0.004","72.459","0.004","1252.7","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H28 N20 S2 -","- C63 H29 N20 S1.62 -","- C63 H29 N20 S1.62 -","1","0.5","","Murata, Tsuyoshi; Morita, Yasushi; Yakiyama, Yumi; Yamamoto, Yosuke; Yamada, Satoru; Nishimura, Yoshie; Nakasuji, Kazuhiro","Hydrogen-Bond Architectures of Protonated 4,4′-Biimidazolium Derivatives and Oligo(imidazolium)s in Charge-Transfer Salts with Tetracyanoquinodimethane","Crystal Growth & Design","2008","8","8","3058","","10.1021/cg800202n","","","0.71073","MoKα","","0.3171","0.1379","","","0.3435","0.4621","","","","","","0.938","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503654","24.111","0.005","12.836","0.003","10.303","0.002","90","","100.87","0.03","90","","3131.5","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br F3 N O -","- C17 H13 Br F3 N O -","- C136 H104 Br8 F24 N8 O8 -","8","2","","Shirman, Tanya; Lamere, Jean-Francois; Shimon, Linda J. W.; Gupta, Tarkeshwar; Martin, Jan M. L.; van der Boom, Milko E.","Halogen-Bonded Supramolecular Assemblies Based on Phenylethynyl Pyridine Derivatives: Driving Crystal Packing through Systematic Chemical Modifications","Crystal Growth & Design","2008","8","8","3066","","10.1021/cg800208w","","","0.71073","MoKα","","0.0703","0.0403","","","0.0842","0.0914","","","","","","0.983","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503655","12.097","0.0001","4.833","0.0004","20.314","0.0008","90","0.0014","98.324","0.002","90","0.002","1175.14","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H4 Br F4 N O -","- C13 H4 Br F4 N O -","- C52 H16 Br4 F16 N4 O4 -","4","1","","Shirman, Tanya; Lamere, Jean-Francois; Shimon, Linda J. W.; Gupta, Tarkeshwar; Martin, Jan M. L.; van der Boom, Milko E.","Halogen-Bonded Supramolecular Assemblies Based on Phenylethynyl Pyridine Derivatives: Driving Crystal Packing through Systematic Chemical Modifications","Crystal Growth & Design","2008","8","8","3066","","10.1021/cg800208w","","","0.71073","MoKα","","0.0468","0.0302","","","0.0592","0.0627","","","","","","1.006","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503656","9.9477","0.0002","5.1827","0.0001","11.5038","0.0003","90","","109.055","0.002","90","","560.59","0.02","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H4 Br F4 N -","- C13 H4 Br F4 N -","- C26 H8 Br2 F8 N2 -","2","1","","Shirman, Tanya; Lamere, Jean-Francois; Shimon, Linda J. W.; Gupta, Tarkeshwar; Martin, Jan M. L.; van der Boom, Milko E.","Halogen-Bonded Supramolecular Assemblies Based on Phenylethynyl Pyridine Derivatives: Driving Crystal Packing through Systematic Chemical Modifications","Crystal Growth & Design","2008","8","8","3066","","10.1021/cg800208w","","","0.71073","MoKα","","0.0475","0.0447","","","0.0984","0.0992","","","","","","1.242","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503657","14.532","0.001","12.745","0.001","13.986","0.001","90","","95.267","0.002","90","","2579.4","0.3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H12.5 Cl0.5 O2 -","- C16.5 H12.5 Cl0.5 O2 -","- C132 H100 Cl4 O16 -","8","1","","Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Preparation and Crystal Structure of Guest-Dependent Charge-Transfer Host System Using 1,1′-Bi-2-naphthol and 2-Chloro-5-methyl-benzoquinone","Crystal Growth & Design","2008","8","10","3493","","10.1021/cg800211v","","","0.71073","MoKα","","0.0565","0.0491","","","0.1308","0.1369","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503658","14.483","0.001","14.483","0.001","20.036","0.002","90","","90","","120","","3639.6","0.5","110","2","110","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C28 H22 Cl O4.5 -","- C28 H21.5 Cl O4.5 -","- C168 H129 Cl6 O27 -","6","1","","Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Preparation and Crystal Structure of Guest-Dependent Charge-Transfer Host System Using 1,1′-Bi-2-naphthol and 2-Chloro-5-methyl-benzoquinone","Crystal Growth & Design","2008","8","10","3493","","10.1021/cg800211v","","","0.71073","MoKα","","0.0619","0.0586","","","0.1719","0.1763","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503659","10.765","0.001","11.294","0.001","11.778","0.001","85.096","0.001","89.78","0.002","74.205","0.001","1372.6","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H19 Cl F4 O6 -","- C33 H19 Cl F4 O6 -","- C66 H38 Cl2 F8 O12 -","2","1","","Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Preparation and Crystal Structure of Guest-Dependent Charge-Transfer Host System Using 1,1′-Bi-2-naphthol and 2-Chloro-5-methyl-benzoquinone","Crystal Growth & Design","2008","8","10","3493","","10.1021/cg800211v","","","0.71073","MoKα","","0.0723","0.0667","","","0.1768","0.1816","","","","","","1.039","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503660","14.4557","0.0009","12.8781","0.0008","14.0147","0.0009","90","","94.171","0.001","90","","2602.1","0.3","115","2","115","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H27 Cl O4 -","- C34 H27 Cl O4 -","- C136 H108 Cl4 O16 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Preparation and Crystal Structure of Guest-Dependent Charge-Transfer Host System Using 1,1′-Bi-2-naphthol and 2-Chloro-5-methyl-benzoquinone","Crystal Growth & Design","2008","8","10","3493","","10.1021/cg800211v","","","0.71073","MoKα","","0.0456","0.042","","","0.1119","0.1159","","","","","","1.069","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503661","18.577","0.004","20.125","0.004","20.895","0.004","90","","90","","90","","7812","3","293","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 Mo5 N24 Ni2 O31 P2 -","- C48 H61 Mo5 N24 Ni2 O31 P2 -","- C192 H244 Mo20 N96 Ni8 O124 P8 -","4","1","","Qin, Chao; Wang, Xin-Long; Yuan, Ling; Wang, En-Bo","Chiral Self-Threading Frameworks Based on Polyoxometalate Building Blocks Comprising Unprecedented Tri-Flexure Helix","Crystal Growth & Design","2008","8","7","2093","","10.1021/cg800242a","","","0.71073","MoKα","","0.0882","0.0639","","","0.1417","0.1539","","","","","","1.053","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503662","18.658","0.005","20.089","0.005","21.137","0.005","90","0.005","90","0.005","90","0.005","7923","3","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 Mo5 N24 Ni2 O31 P2 -","- C48 H49 Mo5 N24 Ni2 O31 P2 -","- C192 H196 Mo20 N96 Ni8 O124 P8 -","4","1","","Qin, Chao; Wang, Xin-Long; Yuan, Ling; Wang, En-Bo","Chiral Self-Threading Frameworks Based on Polyoxometalate Building Blocks Comprising Unprecedented Tri-Flexure Helix","Crystal Growth & Design","2008","8","7","2093","","10.1021/cg800242a","","","0.71069","MoKα","","0.1315","0.0691","","","0.1269","0.1516","","","","","","1.015","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503663","11.646","0.002","5.6149","0.0011","18.685","0.004","90","","103.58","0.03","90","","1187.7","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","OrthoTUP","oTUP","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.2525","0.0961","","","0.2285","0.3263","","","","","","0.922","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503664","6.3926","0.0004","8.4521","0.0005","10.6951","0.0007","90","","91.899","0.003","90","","577.55","0.06","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C26 H26 N6 O2 -","2","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0497","0.0357","","","0.0788","0.0842","","","","","","0.917","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503665","9.1628","0.0009","9.756","0.001","30.271","0.003","90","","90","","90","","2706","0.5","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C104 H136 N24 O24 -","8","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.2075","0.1855","","","0.3396","0.3477","","","","","","1.419","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503666","6.9698","0.0014","12.734","0.003","12.676","0.003","90","","95.85","0.03","90","","1119.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ParaTUP","pTUP","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.1047","0.0491","","","0.0992","0.1162","","","","","","0.987","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503667","11.3094","0.0004","14.0244","0.0004","8.393","0.0003","90","","90","","90","","1331.19","0.08","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Mttup","","","- C13 H13 N3 S -","- C13 H13 N3 S -","- C52 H52 N12 S4 -","4","0.5","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0656","0.0533","","","0.1431","0.149","","","","","","1.141","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503668","8.4334","0.0006","8.8676","0.0006","9.8416","0.0007","90","","112.234","0.002","90","","681.27","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C28 H32 N12 O4 -","2","0.5","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0808","0.0555","","","0.146","0.1612","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503669","16.447","0.003","5.2902","0.0011","18.364","0.004","90","","105.112","0.007","90","","1542.6","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N6 O2 -","- C15 H18 N6 O2 -","- C60 H72 N24 O8 -","4","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0934","0.0416","","","0.0759","0.0879","","","","","","0.864","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503670","6.244","0.004","7.169","0.004","17.566","0.011","79.026","0.011","87","0.011","88.644","0.01","770.8","0.8","393","2","393","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N6 O2 -","- C16 H20 N6 O2 -","- C32 H40 N12 O4 -","2","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0877","0.0762","","","0.1865","0.1926","","","","","","1.257","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503671","6.276","0.003","7.316","0.004","17.205","0.008","80.168","0.014","83.754","0.015","85.013","0.013","771.9","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.1219","0.0661","","","0.1496","0.1749","","","","","","0.983","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503672","7.3551","0.0015","13.731","0.003","13.869","0.003","70.07","0.03","83.74","0.03","86.46","0.03","1308.5","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","m-TUP_SiF6","","","- C26 H28 F6 N6 O2 Si -","- C26 H28 F6 N6 O2 Si -","- C52 H56 F12 N12 O4 Si2 -","2","1","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0437","0.0359","","","0.0914","0.0959","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503673","18.2108","0.0017","4.5671","0.0004","11.3315","0.001","90","","106.092","0.003","90","","905.52","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N6 O2 -","- C22 H18 N6 O2 -","- C44 H36 N12 O4 -","2","0.5","","Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.","Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas","Crystal Growth & Design","2008","8","9","3335","","10.1021/cg800247f","","","0.71073","MoKα","","0.0875","0.0566","","","0.1397","0.1601","","","","","","1.057","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503674","13.8529","0.0008","13.8529","0.0008","7.4159","0.0008","90","","90","","120","","1232.47","0.17","298","2","298","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C6 H15 N27 O7 Zn4 -","- C6 H3 N27 O7 Zn4 -","- C12 H6 N54 O14 Zn8 -","2","0.166667","","Jiang, Tao; Zhang, Xian-Ming","Temperature Tuned Synthesis of ZincN,N-bis-(1(2)H-tetrazol-5-yl)-amine Complexes: From Zn3O Cluster-Based 3-Connected 63-hcband (3,6)-Connected (43)2(46)-kgdLayers to Zn5(OH)4Chain-Based 3D Open Framework","Crystal Growth & Design","2008","8","8","3077","","10.1021/cg800248b","","","0.71073","MoKα","","0.0628","0.0535","","","0.1236","0.1282","","","","","","1.089","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503675","13.6663","0.0009","13.6663","0.0009","13.009","0.0016","90","","90","","120","","2104.1","0.3","298","2","298","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H20 N54 O8 Zn7 -","- C12 H6 N54 O8 Zn7 -","- C24 H12 N108 O16 Zn14 -","2","0.166667","","Jiang, Tao; Zhang, Xian-Ming","Temperature Tuned Synthesis of ZincN,N-bis-(1(2)H-tetrazol-5-yl)-amine Complexes: From Zn3O Cluster-Based 3-Connected 63-hcband (3,6)-Connected (43)2(46)-kgdLayers to Zn5(OH)4Chain-Based 3D Open Framework","Crystal Growth & Design","2008","8","8","3077","","10.1021/cg800248b","","","0.71073","MoKα","","0.0686","0.0591","","","0.1376","0.1435","","","","","","1.17","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503676","16.0871","0.0015","8.5505","0.0008","14.2113","0.0013","90","","111.194","0.002","90","","1822.6","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N18 O6 Zn5 -","- C4 N18 O6 Zn5 -","- C16 N72 O24 Zn20 -","4","0.5","","Jiang, Tao; Zhang, Xian-Ming","Temperature Tuned Synthesis of ZincN,N-bis-(1(2)H-tetrazol-5-yl)-amine Complexes: From Zn3O Cluster-Based 3-Connected 63-hcband (3,6)-Connected (43)2(46)-kgdLayers to Zn5(OH)4Chain-Based 3D Open Framework","Crystal Growth & Design","2008","8","8","3077","","10.1021/cg800248b","","","0.71073","MoKα","","0.0507","0.0428","","","0.1095","0.1345","","","","","","1.274","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503677","7.9693","0.0018","12.977","0.003","10.267","0.002","90","","90.221","0.004","90","","1061.8","0.4","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 B2 Cu F8 N12 O4 -","- C8 H16 B2 Cu F8 N12 O4 -","- C16 H32 B4 Cu2 F16 N24 O8 -","2","0.5","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.0664","0.0506","","","0.1356","0.1496","","","","","","1.159","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503678","10.964","0.003","12.672","0.003","12.837","0.003","90","","91.011","0.005","90","","1783.2","0.8","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C9.21 H10 B0.79 Cu F3.17 N13.21 O S1.21 -","- C9.206 H10 B0.794 Cu F3.176 N13.206 O S1.206 -","- C36.824 H40 B3.176 Cu4 F12.704 N52.824 O4 S4.824 -","4","0.5","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.7107","MoKα","","0.043","0.0345","","","0.0989","0.1029","","","","","","1.114","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503679","6.8459","0.0006","12.4795","0.0011","21.686","0.002","90","","90","","90","","1852.7","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cu N14 O2 S2 -","- C10 H12 Cu N14 O2 S2 -","- C40 H48 Cu4 N56 O8 S8 -","4","1","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.7107","MoKα","","0.0251","0.0207","","","0.0454","0.0461","","","","","","0.987","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503680","10.6466","0.0016","12.0502","0.0018","12.7926","0.0019","90","","92.32","0.003","90","","1639.9","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cu N14 O7 -","- C8 H10 Cu N14 O7 -","- C32 H40 Cu4 N56 O28 -","4","1","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.0567","0.0375","","","0.0905","0.1006","","","","","","1.022","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503681","10.9709","0.0011","10.9709","0.0011","35.314","0.006","90","","90","","120","","3681","0.8","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C12 H12 Cl2 Cu N18 O8 -","- C12 H12 Cl2 Cu N18 O8.02 -","- C72 H72 Cl12 Cu6 N108 O48.12 -","6","0.166667","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.0606","0.0571","","","0.1614","0.1657","","","","","","1.086","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503682","11.1514","0.0009","11.1514","0.0009","102.578","0.011","90","","90","","120","","11047","1.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C12 H12 Cd Cl2 N18 O8 -","- C12 H12 Cd Cl2 N18 O8 -","- C216 H216 Cd18 Cl36 N324 O144 -","18","0.5","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.0569","0.0394","","","0.1","0.1098","","","","","","1.017","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503683","12.691","0.002","12.691","0.002","23.216","0.008","90","","90","","90","","3739.2","1.5","294","2","294","2","","","","","","","","6","I -4","I -4","82","","","","- C36 H32 B4 Cd3 F16 N54 -","- C36 H32 B4 Cd3 F16 N54 -","- C72 H64 B8 Cd6 F32 N108 -","2","0.25","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.045","0.044","","","0.1454","0.1463","","","","","","1.113","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503684","12.7471","0.0015","12.7471","0.0015","22.545","0.003","90","","90","","90","","3663.3","0.8","293","2","293","2","","","","","","","","7","I -4","I -4","82","","","","- C10.67 H12 B2 Cd F8 N16 O0.67 -","- C10.6667 H13.3333 B2 Cd F8 N16 O0.666667 -","- C64 H80 B12 Cd6 F48 N96 O4 -","6","0.75","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.71073","MoKα","","0.0337","0.029","","","0.0818","0.0851","","","","","","1.063","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503685","14.877","0.0015","8.5545","0.0008","7.4081","0.0007","90","","118.778","0.001","90","","826.35","0.14","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Cu2 N6 -","- C4 H6 Cu2 N6 -","- C16 H24 Cu8 N24 -","4","0.5","","Lin, Shi-Hong; Zhou, Xiao-Ping; Li, Dan; Ng, Seik Weng","In Situ Formed Guanidinium Cations as Templates To Direct Fabrication of Honeycomb-like CuCN Networks","Crystal Growth & Design","2008","8","11","3879","","10.1021/cg800262d","","","0.71073","MoKα","","0.0288","0.0275","","","0.073","0.074","","","","","","1.069","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503686","9.1695","0.0016","10.3607","0.0019","12.504","0.002","90","","90","","90","","1187.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N4 O2 Zn -","- C3 H4 N4 O2 Zn -","- C24 H32 N32 O16 Zn8 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0387","0.0343","","","0.0862","0.0889","","","","","","1.093","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503687","9.8055","0.0011","16.1941","0.0019","9.3531","0.0011","90","","90","","90","","1485.2","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H12 N8 O6 Zn2 -","- C5 H12 N8 O6 Zn2 -","- C20 H48 N32 O24 Zn8 -","4","0.5","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0462","0.0403","","","0.1277","0.1313","","","","","","1.1","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503688","33.587","0.003","9.0436","0.0007","9.7308","0.0008","90","","94.589","0.001","90","","2946.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N16 O10 Zn4 -","- C11 H18 N16 O10 Zn4 -","- C44 H72 N64 O40 Zn16 -","4","0.5","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0545","0.049","","","0.1559","0.16","","","","","","1.077","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503689","22.267","0.008","8.262","0.003","9.323","0.004","90","","111.271","0.006","90","","1598.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H5 N4 O2 Zn -","- C4 H5 N4 O2 Zn -","- C32 H40 N32 O16 Zn8 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.1387","0.1348","","","0.3619","0.3655","","","","","","1.618","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503690","12.7035","0.0011","12.7035","0.0011","25.438","0.005","90","","90","","90","","4105.2","1","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C10 H16 N8 O5 Zn2 -","- C10 H16.03 N8 O5.01 Zn2 -","- C80 H128.24 N64 O40.08 Zn16 -","8","0.5","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.1173","0.0586","","","0.1739","0.2114","","","","","","1.139","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503691","14.966","0.003","75.384","0.014","9.813","0.0019","90","","90","","90","","11071","4","393","2","393","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C36 H54 N24 O12 Zn6 -","- C36 H54 N24 O12 Zn6 -","- C288 H432 N192 O96 Zn48 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0602","0.0502","","","0.1206","0.1318","","","","","","1.055","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503692","15.962","0.003","24.972","0.005","9.655","0.002","90","","90","","90","","3848.5","1.3","123","2","123","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C13 H20 N8 O4 Zn2 -","- C13 H20 N8 O4 Zn2 -","- C104 H160 N64 O32 Zn16 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0829","0.0511","","","0.1157","0.1562","","","","","","1.098","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503693","18.203","0.007","23.242","0.009","9.606","0.004","90","","90","","90","","4064","3","123","2","123","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H22 N8 O4 Zn2 -","- C14 H22 N8 O4 Zn2 -","- C112 H176 N64 O32 Zn16 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.1028","0.0764","","","0.1533","0.1752","","","","","","1.124","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503694","11.882","0.005","17.024","0.007","13.724","0.006","90","","93.978","0.008","90","","2769","2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H82 N8 O29 P6 -","- C36 H82 N8 O29 P6 -","- C72 H164 N16 O58 P12 -","2","1","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Anion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity","Crystal Growth & Design","2008","8","10","3689","","10.1021/cg800292e","","","0.71073","MoKα","","0.0466","0.0411","","","0.1057","0.1093","","","","","","1.037","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503695","11.4833","0.0003","11.4833","0.0003","31.0746","0.0011","90","","90","","120","","3548.7","0.18","153","2","153","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C36 H100 N8 O38 P6 -","- C36 H99.96 N8 O38.02 P6 -","- C72 H199.92 N16 O76.04 P12 -","2","0.166667","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Anion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity","Crystal Growth & Design","2008","8","10","3689","","10.1021/cg800292e","","","1.54184","CuKα","","0.1057","0.0987","","","0.2602","0.2732","","","","","","1.215","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503696","16.364","0.002","22.858","0.003","23.775","0.003","90","","99.876","0.003","90","","8761.2","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H116 N8 O25 S6 -","- C78 H116 N8 O25 S6 -","- C312 H464 N32 O100 S24 -","4","1","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Anion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity","Crystal Growth & Design","2008","8","10","3689","","10.1021/cg800292e","","","0.71073","MoKα","","0.1062","0.0686","","","0.2003","0.2233","","","","","","1.06","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503697","19.59","0.002","19.487","0.002","31.312","0.003","90","","90","","90","","11953","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H98 N8 O31 S3 -","- C36 H94 N8 O31 S3 -","- C288 H752 N64 O248 S24 -","8","1","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Anion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity","Crystal Growth & Design","2008","8","10","3689","","10.1021/cg800292e","","","0.71073","MoKα","","0.1197","0.0669","","","0.1704","0.2123","","","","","","1.012","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503698","9.65","0.0002","17.601","0.0003","12.991","0.0003","90","","97.822","0.001","90","","2185.99","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H68 Cl4 Cu2 N12 O16 -","- C24 H68 Cl4 Cu2 N12 O16 -","- C48 H136 Cl8 Cu4 N24 O32 -","2","0.5","","Lee, Way-Zen; Kang, Ya-Lin; Wang, Tzu-Li; Su, Chan-Cheng; Kuo, Ting-Shen","Structural Interconversion Controlled by Hydrogen-Bond Interactions: A Mononuclear Copper Triamine Complex and a Polynuclear Copper Triamine Sheet","Crystal Growth & Design","2008","8","8","2614","","10.1021/cg8002977","","","0.71073","MoKα","","0.0446","0.0375","","","0.0948","0.1012","","","","","","1.098","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503699","15.061","0.003","10.06","0.0014","16.569","0.004","90","","110.809","0.016","90","","2346.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H72 Cl4 Cu2 N12 O18 -","- C24 H72 Cl4 Cu2 N12 O18 -","- C48 H144 Cl8 Cu4 N24 O36 -","2","0.5","","Lee, Way-Zen; Kang, Ya-Lin; Wang, Tzu-Li; Su, Chan-Cheng; Kuo, Ting-Shen","Structural Interconversion Controlled by Hydrogen-Bond Interactions: A Mononuclear Copper Triamine Complex and a Polynuclear Copper Triamine Sheet","Crystal Growth & Design","2008","8","8","2614","","10.1021/cg8002977","","","0.7093","Mokα","","0.1351","0.0528","","","0.1392","0.1786","","","","","","1.013","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503700","16.0583","0.0008","16.4484","0.001","17.7788","0.0008","90","","98.151","0.006","90","","4648.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H26.5 F Ge7 N4.5 O17 -","- C4 F Ge7 N3 O17 -","- C32 F8 Ge56 N24 O136 -","8","1","","Shi, Lei; Bonneau, Charlotte; Li, Yafeng; Sun, Junliang; Yue, Huijuan; Zou, Xiaodong","SU-22 and SU-23: Layered Germanates Built from 4-Coordinated Ge7Clusters Exhibiting Structural Variations on the 44Topology","Crystal Growth & Design","2008","8","10","3695","","10.1021/cg800304r","","","0.71073","MoKα","","0.0638","0.043","","","0.1053","0.108","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503701","13.036","0.003","9.4726","0.0019","30.814","0.006","90","","100.03","0.03","90","","3746.9","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H47 F Ge7.2 N4 O19.4 -","- C14 F Ge7.186 N4 O19.372 -","- C56 F4 Ge28.744 N16 O77.488 -","4","1","","Shi, Lei; Bonneau, Charlotte; Li, Yafeng; Sun, Junliang; Yue, Huijuan; Zou, Xiaodong","SU-22 and SU-23: Layered Germanates Built from 4-Coordinated Ge7Clusters Exhibiting Structural Variations on the 44Topology","Crystal Growth & Design","2008","8","10","3695","","10.1021/cg800304r","","","0.71073","MoKα","","0.0413","0.0349","","","0.1169","0.1234","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503702","10.1084","0.0006","13.2472","0.0007","25.7538","0.0016","90","","92.146","0.003","90","","3446.2","0.3","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H36.8 N4 O8.43 Pd S2 -","- C31 H36.8 N4 O8.4 Pd S2 -","- C124 H147.2 N16 O33.6 Pd4 S8 -","4","1","","Vázquez López, Miguel; Zaragoza, Guillermo; Otero, Marta; Pedrido, Rosa; Rama, Gustavo; Bermejo, Manuel R.","Supramolecular Aggregation of Pd(II) Monohelicates Directed by Discrete (H2O)8Clusters in a 1,4-Diaxially Substituted Hexameric Chairlike Conformation","Crystal Growth & Design","2008","8","7","2083","","10.1021/cg800308s","","x-ray","0.7107","MoKα","","0.1574","0.0923","","","0.231","0.2667","","","","","","1.072","","","","has coordinates,has disorder","179572","2020-10-21","18:00:00",""
"4503703","10.228","0.002","12.029","0.002","12.062","0.002","70.6","0.03","85.77","0.03","76.54","0.03","1361.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H15 N4 O12 Tb -","- C28 H15 N4 O12 Tb -","- C56 H30 N8 O24 Tb2 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.0314","0.0254","","","0.0475","0.0515","","","","","","1.066","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503704","10.194","0.002","12.031","0.002","12.047","0.002","70.69","0.03","76.48","0.03","85.58","0.03","1355.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H15 Ho N4 O12 -","- C28 H15 Ho N4 O12 -","- C56 H30 Ho2 N8 O24 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.0264","0.0228","","","0.0629","0.0813","","","","","","1.043","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503705","10.173","0.002","12.012","0.002","12.044","0.002","70.71","0.03","76.45","0.03","85.45","0.03","1350.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H15 Er N4 O12 -","- C28 H15 Er N4 O12 -","- C56 H30 Er2 N8 O24 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.0336","0.0288","","","0.0607","0.0625","","","","","","1.032","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503706","10.468","0.002","11.164","0.002","13.177","0.003","101.97","0.03","111.6","0.03","96.4","0.03","1370.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H15 La N4 O12 -","- C28 H15 La N4 O12 -","- C56 H30 La2 N8 O24 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.0209","0.0188","","","0.0618","0.0627","","","","","","1.057","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503707","10.416","0.002","11.11","0.002","13.181","0.003","102.42","0.03","112.32","0.03","96.1","0.03","1347.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H15 N4 O12 Sm -","- C28 H15 N4 O12 Sm -","- C56 H30 N8 O24 Sm2 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.0228","0.0185","","","0.0558","0.062","","","","","","1.043","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503708","10.437","0.002","12.536","0.003","19.787","0.004","106.21","0.03","99.07","0.03","100.53","0.03","2383.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H29 N7 O20 Pr2 -","- C48 H29 N7 O20 Pr2 -","- C96 H58 N14 O40 Pr4 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.035","0.0256","","","0.0545","0.0621","","","","","","1.075","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503709","10.472","0.002","12.322","0.003","19.465","0.004","105.86","0.03","100.22","0.03","100.17","0.03","2309.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H29 N7 O20 Yb2 -","- C48 H29 N7 O20 Yb2 -","- C96 H58 N14 O40 Yb4 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.0326","0.0256","","","0.0743","0.0847","","","","","","1.123","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503710","13.104","0.003","14.325","0.003","14.761","0.003","105.5","0.03","115.1","0.03","90.68","0.03","2392.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H25 Eu2 N7 O18 -","- C48 H25 Eu2 N7 O18 -","- C96 H50 Eu4 N14 O36 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.0376","0.0279","","","0.0845","0.093","","","","","","1.128","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503711","12.845","0.003","14.724","0.003","14.778","0.003","103.85","0.03","90.16","0.03","115.3","0.03","2435.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H25 N7 Nd2 O18 -","- C48 H25 N7 Nd2 O18 -","- C96 H50 N14 Nd4 O36 -","2","1","","Ye, Junwei; Zhang, Jingying; Ning, Guiling; Tian, Ge; Chen, Yan; Wang, Yue","Lanthanide Coordination Polymers Constructed from Dinuclear Building Blocks: Novel Structure Evolution from One-Dimensional Chains to Three-Dimensional Architectures","Crystal Growth & Design","2008","8","8","3098","","10.1021/cg800310j","","","0.71073","MoKα","","0.0393","0.0296","","","0.09","0.1022","","","","","","1.037","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503712","16.701","0.002","9.8114","0.0012","19.172","0.002","90","","94.242","0.002","90","","3132.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd2 N6 O8 -","- C30 H30 Cd2 N6 O8 -","- C120 H120 Cd8 N24 O32 -","4","1","","Martin, David P.; Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.","Cadmium Glutarate Coordination Polymers Containing Hydrogen-Bonding Capable Tethering Organodiimines: From Double Interpenetration to Supramolecular Cavities Containing an Unprecedented Water Tape Morphology","Crystal Growth & Design","2008","8","8","3091","","10.1021/cg8003118","","","0.71073","MoKα","","0.0685","0.0455","","","0.0662","0.0709","","","","","","1.133","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503713","8.7296","0.0011","14.4136","0.0019","22.956","0.003","90","","95.295","0.002","90","","2876.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 Cd N4 O11 -","- C21 H40 Cd N4 O11 -","- C84 H160 Cd4 N16 O44 -","4","1","","Martin, David P.; Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.","Cadmium Glutarate Coordination Polymers Containing Hydrogen-Bonding Capable Tethering Organodiimines: From Double Interpenetration to Supramolecular Cavities Containing an Unprecedented Water Tape Morphology","Crystal Growth & Design","2008","8","8","3091","","10.1021/cg8003118","","","0.71073","MoKα","","0.0523","0.0392","","","0.0989","0.107","","","","","","1.058","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503714","14.7423","0.0004","11.6833","0.0003","14.3886","0.0004","90","","113.668","0.002","90","","2269.82","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Mn N10 S2 -","- C20 H16 Mn N10 S2 -","- C80 H64 Mn4 N40 S8 -","4","0.5","","Pramanik, Avijit; Das, Gopal","Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes","Crystal Growth & Design","2008","8","8","3107","","10.1021/cg800315e","","","0.71073","MoKα","","0.0893","0.0404","","","0.0794","0.0948","","","","","","0.984","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503715","9.2659","0.0004","18.106","0.0008","12.0298","0.0005","90","","89.92","","90","","2018.22","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 Cu N8 -","- C18 H16 Cl2 Cu N8 -","- C72 H64 Cl8 Cu4 N32 -","4","1","","Pramanik, Avijit; Das, Gopal","Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes","Crystal Growth & Design","2008","8","8","3107","","10.1021/cg800315e","","","0.71073","MoKα","","0.0686","0.0412","","","0.1455","0.1631","","","","","","0.991","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503716","8.1606","0.0002","19.2921","0.0005","14.0277","0.0005","90","","94.785","0.002","90","","2200.76","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N8 O Zn -","- C18 H18 Cl2 N8 O Zn -","- C72 H72 Cl8 N32 O4 Zn4 -","4","1","","Pramanik, Avijit; Das, Gopal","Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes","Crystal Growth & Design","2008","8","8","3107","","10.1021/cg800315e","","","0.71073","MoKα","","0.0502","0.0309","","","0.073","0.0809","","","","","","1.024","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503717","7.7501","0.0001","11.9552","0.0002","21.5104","0.0003","90","","90","","90","","1993.02","0.05","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Cl2 N8 Ru -","- C18 H16 Cl2 N8 Ru -","- C72 H64 Cl8 N32 Ru4 -","4","0.5","","Pramanik, Avijit; Das, Gopal","Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes","Crystal Growth & Design","2008","8","8","3107","","10.1021/cg800315e","","","0.71073","MoKα","","0.0491","0.0304","","","0.0743","0.084","","","","","","1.014","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503718","8.3278","0.0002","19.3123","0.0003","14.0265","0.0003","90","","94.451","0.001","90","","2249.06","0.08","273","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cd Cl2 N8 O -","- C18 H18 Cd Cl2 N8 O -","- C72 H72 Cd4 Cl8 N32 O4 -","4","1","","Pramanik, Avijit; Das, Gopal","Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes","Crystal Growth & Design","2008","8","8","3107","","10.1021/cg800315e","","","0.71073","MoKα","","0.041","0.0283","","","0.0636","0.0689","","","","","","1.011","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503719","7.0944","0.0001","20.1085","0.0003","8.6456","0.0001","90","","95.384","0.001","90","","1227.92","0.03","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Cd Cl2 N4 -","- C9 H8 Cd Cl2 N4 -","- C36 H32 Cd4 Cl8 N16 -","4","1","","Pramanik, Avijit; Das, Gopal","Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes","Crystal Growth & Design","2008","8","8","3107","","10.1021/cg800315e","","","0.71073","MoKα","","0.0235","0.0208","","","0.0524","0.0539","","","","","","0.923","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503720","20.4427","0.0004","7.6319","0.0002","19.6921","0.0004","90","","103.983","0.001","90","","2981.26","0.12","298","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Hg N12 S4 -","- C22 H18 Hg N12 S4 -","- C88 H72 Hg4 N48 S16 -","4","1","","Pramanik, Avijit; Das, Gopal","Molecular to Supramolecular Structure: Influence of Coordination Environment in Azo-dye Complexes","Crystal Growth & Design","2008","8","8","3107","","10.1021/cg800315e","","","0.71073","MoKα","","0.0719","0.0383","","","0.0501","0.0651","","","","","","1.185","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503721","16.936","0.005","16.936","0.005","15.65","0.005","90","","90","","120","","3887","2","298","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C90 H94 O23 -","- C90 H84 O23 -","- C180 H168 O46 -","2","0.166667","","Tedesco, Consiglia; Gregoli, Luisa; Immediata, Ivano; Gavuzzo, Enrico; Neri, Placido","Molecular Assembly of Distalp-H-Calix[4]dihydroquinone Units","Crystal Growth & Design","2008","8","10","3700","","10.1021/cg800320e","","","1.5418","CuKα","","0.0921","0.051","","","0.141","0.1649","","","","","","1.05","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503722","15.215","0.003","17.423","0.004","20.995","0.003","90","","94.609","0.012","90","","5547.6","1.9","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H65 Cl3 O14 -","- C63 H65 Cl3 O14 -","- C252 H260 Cl12 O56 -","4","1","","Tedesco, Consiglia; Gregoli, Luisa; Immediata, Ivano; Gavuzzo, Enrico; Neri, Placido","Molecular Assembly of Distalp-H-Calix[4]dihydroquinone Units","Crystal Growth & Design","2008","8","10","3700","","10.1021/cg800320e","","","1.5418","CuKα","","0.1986","0.0579","","","0.1","0.119","","","","","","1.306","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503723","15.232","0.009","17.326","0.004","20.892","0.005","90","","95","0.03","90","","5493","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 N O13 -","- C65 H65 N O13 -","- C260 H260 N4 O52 -","4","1","","Tedesco, Consiglia; Gregoli, Luisa; Immediata, Ivano; Gavuzzo, Enrico; Neri, Placido","Molecular Assembly of Distalp-H-Calix[4]dihydroquinone Units","Crystal Growth & Design","2008","8","10","3700","","10.1021/cg800320e","","","0.71069","MoKα","","0.2387","0.0682","","","0.1072","0.1255","","","","","","1.489","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503724","6.5567","0.0004","11.4439","0.0008","11.5993","0.0008","77.462","0.001","76.511","0.001","76.11","0.001","809.54","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cd Na2 O10 -","- C16 H8 Cd Na2 O10 -","- C32 H16 Cd2 Na4 O20 -","2","1","","Chen, Xiao-Li; Zhang, Bo; Hu, Huai-Ming; Fu, Feng; Wu, Xing-Long; Qin, Ting; Yang, Meng-Lin; Xue, Gang-Lin; Wang, Ji-Wu","Three Novel Heterobimetallic Cd/Zn−Na Coordination Polymers: Syntheses, Crystal Structure, and Luminescence","Crystal Growth & Design","2008","8","10","3706","","10.1021/cg8003257","","","0.71073","MoKα","","0.0274","0.024","","","0.0645","0.0655","","","","","","1.042","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503725","6.5498","0.0017","11.441","0.003","11.598","0.003","77.49","0.003","76.549","0.003","76.164","0.003","808.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Na2 O10 Zn -","- C16 H6 Na2 O10 Zn -","- C32 H12 Na4 O20 Zn2 -","2","1","","Chen, Xiao-Li; Zhang, Bo; Hu, Huai-Ming; Fu, Feng; Wu, Xing-Long; Qin, Ting; Yang, Meng-Lin; Xue, Gang-Lin; Wang, Ji-Wu","Three Novel Heterobimetallic Cd/Zn−Na Coordination Polymers: Syntheses, Crystal Structure, and Luminescence","Crystal Growth & Design","2008","8","10","3706","","10.1021/cg8003257","","","0.71073","MoKα","","0.0637","0.0596","","","0.16","0.1633","","","","","","1.085","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503726","8.649","0.004","14.763","0.006","16.033","0.007","104.344","0.005","97.349","0.006","105.907","0.006","1864.8","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 Cd3 Na2 O24.5 -","- C32 H12 Cd3 Na2 O24.5 -","- C64 H24 Cd6 Na4 O49 -","2","1","","Chen, Xiao-Li; Zhang, Bo; Hu, Huai-Ming; Fu, Feng; Wu, Xing-Long; Qin, Ting; Yang, Meng-Lin; Xue, Gang-Lin; Wang, Ji-Wu","Three Novel Heterobimetallic Cd/Zn−Na Coordination Polymers: Syntheses, Crystal Structure, and Luminescence","Crystal Growth & Design","2008","8","10","3706","","10.1021/cg8003257","","","0.71073","MoKα","","0.098","0.0734","","","0.1818","0.1961","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503727","10.299","0.007","5.963","0.004","13.54","0.009","90","","95.759","0.013","90","","827.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 Mn N2 O4 -","- C9 H4 Mn N2 O4 -","- C36 H16 Mn4 N8 O16 -","4","1","","Wei, Yongqin; Yu, Yunfang; Wu, Kechen","Highly Stable Five-Coordinated Mn(II) Polymer [Mn(Hbidc)]n(Hbidc=1H-Benzimidazole-5,6-dicarboxylate): Crystal Structure, Antiferromegnetic Property, and Strong Long-Lived Luminescence","Crystal Growth & Design","2008","8","7","2087","","10.1021/cg800333g","","","0.71073","MoKα","","0.0462","0.0347","","","0.0966","0.1037","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503728","9.3866","0.0008","5.7927","0.0005","15.8363","0.0013","90","","106.364","0.001","90","","826.2","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C44 H38 N2 O4 -","2","1","","Imai, Yoshitane; Murata, Katuzo; Asano, Natsuyo; Nakano, Yoko; Kawaguchi, Kakuhiro; Harada, Takunori; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Selective Formation and Optical Property of a 21-Helical Columnar Fluorophore Composed of Achiral 2-Anthracenecarboxylic Acid and Benzylamine","Crystal Growth & Design","2008","8","9","3376","","10.1021/cg800335t","","","0.71073","MoKα","","0.0472","0.0422","","","0.1","0.1034","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503729","11.711","0.002","8.6444","0.0017","11.664","0.002","90","","104.17","0.03","90","","1144.9","0.4","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[methyl(phenyl)amino]nicotinic acid","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","0.71073","MoKα","","0.0623","0.0587","","","0.1879","0.1914","","","","","","1.213","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503730","14.329","0.0002","8.936","0.0003","26.521","0.0007","90","","90","","90","","3395.85","0.15","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[Methyl(phenyl)amino]nicotinic Acid","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C156 H144 N24 O24 -","12","3","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","0.71073","MoKα","","0.109","0.0462","","","0.0977","0.1244","","","","","","0.893","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503731","13.316","0.003","8.8408","0.0018","14.282","0.003","90","","91.6","0.03","90","","1680.7","0.6","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[Methyl(phenyl)amino]nicotinic Acid","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C78 H72 N12 O12 -","6","3","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","0.71073","MoKα","","0.0917","0.0446","","","0.0884","0.106","","","","","","0.904","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503732","8.6871","0.0007","44.926","0.004","14.2383","0.0012","90","","90.113","0.004","90","","5556.9","0.8","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[methyl(phenyl)amino]nicotinic acid","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C260 H240 N40 O40 -","20","10","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","1.54178","CuKα","","0.0519","0.0488","","","0.1594","0.162","","","","","","1.071","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503733","7.155","0.001","7.595","0.001","21.868","0.004","90","","90.73","0.01","90","","1188.3","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[methyl(phenyl)amino]nicotinic acid","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","0.71073","MoKα","","0.0582","0.0388","","","0.098","0.109","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503734","6.8955","0.0014","13.584","0.003","13.717","0.003","90","","102.6","0.03","90","","1253.9","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cl4 N8 O8 -","- C52 H52 Cl4 N8 O8 -","- C52 H52 Cl4 N8 O8 -","1","0.25","","Long, Sihui; Parkin, Sean; Siegler, Maxime; Brock, Carolyn P.; Cammers, Arthur; Li, Tonglei","Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains","Crystal Growth & Design","2008","8","9","3137","","10.1021/cg800339h","","","0.71073","MoKα","","0.0806","0.0493","","","0.1331","0.1485","","","","","","1.063","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503735","6.7664","0.0001","8.5329","0.0003","15.9929","0.0008","87.648","0.008","83.713","0.006","73.624","0.006","880.54","0.06","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H24 Br2 Cu4 Eu4 N2 O30 S8 -","- C4 Br2 Cu4 Eu4 N1.998 O30 S8 -","- C4 Br2 Cu4 Eu4 N1.998 O30 S8 -","1","0.5","","Li, Pei-Xin; Mao, Jiang-Gao","New Organically Templated Ln(III)−Cu(I) Heteronuclear Sulfite Bromides","Crystal Growth & Design","2008","8","9","3385","","10.1021/cg800341f","","","0.71073","MoKα","","0.0404","0.0314","","","0.0761","0.0806","","","","","","1.075","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503736","6.7475","0.0003","8.4853","0.0005","15.9762","0.0017","87.821","0.014","83.765","0.014","73.704","0.01","872.74","0.12","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H24 Br2 Cu4 Gd4 N2 O30 S8 -","- C4 H12 Br2 Cu4 Gd4 N2 O30 S8 -","- C4 H12 Br2 Cu4 Gd4 N2 O30 S8 -","1","0.5","","Li, Pei-Xin; Mao, Jiang-Gao","New Organically Templated Ln(III)−Cu(I) Heteronuclear Sulfite Bromides","Crystal Growth & Design","2008","8","9","3385","","10.1021/cg800341f","","","0.71073","MoKα","","0.0764","0.0537","","","0.0935","0.1038","","","","","","1.102","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503737","15.732","0.002","23.025","0.003","11.5631","0.0015","90","","115.547","0.002","90","","3779","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Cd N4 O9 -","- C47 H36 Cd N4 O9 -","- C188 H144 Cd4 N16 O36 -","4","0.5","","Shi, Qian; Sun, Yunti; Sheng, Lizi; Ma, Kefang; Hu, Maolin; Hu, Xingen; Huang, Shaoming","Anion-Dependent Crystallization of Four Supramolecular Cadmium Complexes: Structures and Property Studies","Crystal Growth & Design","2008","8","9","3401","","10.1021/cg8003504","","","0.71073","MoKα","","0.0585","0.0518","","","0.1159","0.1191","","","","","","1.168","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503738","11.6924","0.0007","15.5292","0.0009","19.158","0.0009","90","","109.159","0.003","90","","3285.9","0.3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C146 H102 Cd4 N10 O26 -","- C146 H88 Cd4 N10 O26 -","- C146 H88 Cd4 N10 O26 -","1","0.25","","Shi, Qian; Sun, Yunti; Sheng, Lizi; Ma, Kefang; Hu, Maolin; Hu, Xingen; Huang, Shaoming","Anion-Dependent Crystallization of Four Supramolecular Cadmium Complexes: Structures and Property Studies","Crystal Growth & Design","2008","8","9","3401","","10.1021/cg8003504","","","0.71073","MoKα","","0.0561","0.0495","","","0.1369","0.1432","","","","","","1.163","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503739","10.0688","0.0011","11.7024","0.0012","12.9457","0.0016","104.929","0.002","96.122","0.002","112.896","0.002","1320.6","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Cd N2 O7 -","- C33 H24 Cd N2 O7 -","- C66 H48 Cd2 N4 O14 -","2","1","","Shi, Qian; Sun, Yunti; Sheng, Lizi; Ma, Kefang; Hu, Maolin; Hu, Xingen; Huang, Shaoming","Anion-Dependent Crystallization of Four Supramolecular Cadmium Complexes: Structures and Property Studies","Crystal Growth & Design","2008","8","9","3401","","10.1021/cg8003504","","","0.71073","MoKα","","0.0474","0.0436","","","0.1061","0.1079","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503740","9.3082","0.0005","14.178","0.0007","26.0421","0.0013","90","","90","","90","","3436.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H30 Cd N4 O6 -","- C43 H30 Cd N4 O6 -","- C172 H120 Cd4 N16 O24 -","4","1","","Shi, Qian; Sun, Yunti; Sheng, Lizi; Ma, Kefang; Hu, Maolin; Hu, Xingen; Huang, Shaoming","Anion-Dependent Crystallization of Four Supramolecular Cadmium Complexes: Structures and Property Studies","Crystal Growth & Design","2008","8","9","3401","","10.1021/cg8003504","","","0.71073","MoKα","","0.0338","0.0323","","","0.0756","0.0764","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503741","11.1348","0.0004","11.3764","0.0004","11.8118","0.0004","77.301","0.001","63.058","0.001","86.558","0.001","1299.88","0.08","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H29 Cu4 Mo12 N12 O46 P -","- C12 H16 Cu4 Mo12 N12 O46 P -","- C12 H16 Cu4 Mo12 N12 O46 P -","1","0.5","","Tian, Ai-xiang; Ying, Jun; Peng, Jun; Sha, Jing-quan; Pang, Hai-jun; Zhang, Peng-peng; Chen, Yuan; Zhu, Min; Su, Zhong-min","Tuning the Dimensionality of the Coordination Polymer Based on Polyoxometalate by Changing the Spacer Length of Ligands","Crystal Growth & Design","2008","8","10","3717","","10.1021/cg800353y","","","0.71073","MoKα","","0.0386","0.0355","","","0.0863","0.0884","","","","","","1.038","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503742","12.483","0.0007","21.2207","0.0012","11.9177","0.0007","90","","96.994","0.001","90","","3133.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cu3 Mo12 N18 O40 P -","- C24 H36 Cu3 Mo12 N18 O40 P -","- C48 H72 Cu6 Mo24 N36 O80 P2 -","2","0.5","","Tian, Ai-xiang; Ying, Jun; Peng, Jun; Sha, Jing-quan; Pang, Hai-jun; Zhang, Peng-peng; Chen, Yuan; Zhu, Min; Su, Zhong-min","Tuning the Dimensionality of the Coordination Polymer Based on Polyoxometalate by Changing the Spacer Length of Ligands","Crystal Growth & Design","2008","8","10","3717","","10.1021/cg800353y","","","0.71073","MoKα","","0.0626","0.0433","","","0.0864","0.0945","","","","","","1.024","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503743","13.569","0.003","24.746","0.005","11.501","0.003","90","","97.175","0.003","90","","3831.5","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cu5 Mo12 N24 O40 P -","- C40 H64 Cu5 Mo12 N24 O40 P -","- C80 H128 Cu10 Mo24 N48 O80 P2 -","2","0.5","","Tian, Ai-xiang; Ying, Jun; Peng, Jun; Sha, Jing-quan; Pang, Hai-jun; Zhang, Peng-peng; Chen, Yuan; Zhu, Min; Su, Zhong-min","Tuning the Dimensionality of the Coordination Polymer Based on Polyoxometalate by Changing the Spacer Length of Ligands","Crystal Growth & Design","2008","8","10","3717","","10.1021/cg800353y","","","0.71073","MoKα","","0.1019","0.0657","","","0.1558","0.1801","","","","","","1.019","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503744","10.075","0.009","13.051","0.007","13.24","0.009","70.79","0.04","68.85","0.04","70.61","0.04","1487.6","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 N3 O12 P2 Zn2 -","- C21 H31 N3 O12 P2 Zn2 -","- C42 H62 N6 O24 P4 Zn4 -","2","1","","Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks","Crystal Growth & Design","2008","8","11","4045","","10.1021/cg800374s","","","0.71073","MoKα","","0.0839","0.0691","","","0.189","0.1995","","","","","","0.995","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503745","9.869","0.003","17.101","0.005","17.32","0.005","90","","94.896","0.004","90","","2912.4","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O11 P2 Zn2 -","- C20 H26 N4 O11 P2 Zn2 -","- C80 H104 N16 O44 P8 Zn8 -","4","1","","Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks","Crystal Growth & Design","2008","8","11","4045","","10.1021/cg800374s","","","0.71073","MoKα","","0.0809","0.0573","","","0.1543","0.1701","","","","","","1.036","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503746","14.018","0.003","14.018","0.003","31.122","0.009","90","","90","","120","","5296","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H7 O6.33 P Zn -","- C7 H4 O6.33333 P Zn -","- C126 H72 O114 P18 Zn18 -","18","1","","Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks","Crystal Growth & Design","2008","8","11","4045","","10.1021/cg800374s","","","0.71073","MoKα","","0.1324","0.0729","","","0.1865","0.2302","","","","","","1.041","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503747","10.547","0.005","14.83","0.006","16.269","0.007","90","","102.428","0.006","90","","2485","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N4 O10 P2 Zn3 -","- C18 H24 N4 O10 P2 Zn3 -","- C72 H96 N16 O40 P8 Zn12 -","4","1","","Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks","Crystal Growth & Design","2008","8","11","4045","","10.1021/cg800374s","","","0.71073","MoKα","","0.087","0.0721","","","0.1942","0.2013","","","","","","1.089","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503748","9.694","0.005","10.117","0.005","19.488","0.01","90","","104.04","0.008","90","","1854.2","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H28 N O15 P3 Zn4 -","- C27 H28 N O15 P3 Zn4 -","- C54 H56 N2 O30 P6 Zn8 -","2","1","","Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks","Crystal Growth & Design","2008","8","11","4045","","10.1021/cg800374s","","","0.71073","MoKα","","0.0949","0.0768","","","0.1378","0.1445","","","","","","1.122","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503749","19.962","0.006","5.0809","0.0016","18.098","0.006","90","","106.445","0.005","90","","1760.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 O11 P2 Zn3 -","- C14 H10 O11 P2 Zn3 -","- C56 H40 O44 P8 Zn12 -","4","1","","Chen, Zhenxia; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Mixed-Solvothermal Syntheses and Structures of Six New Zinc Phosphonocarboxylates with Zeolite-type and Pillar-Layered Frameworks","Crystal Growth & Design","2008","8","11","4045","","10.1021/cg800374s","","","0.71073","MoKα","","0.0642","0.0406","","","0.0979","0.118","","","","","","1.048","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503750","28.6184","0.0017","7.9221","0.0005","9.0751","0.0006","90","","90","","90","","2057.5","0.2","293.15","","293.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H8 Br6 Cu8 N10 -","- C4 H8 Br6 Cu8 N10 -","- C16 H32 Br24 Cu32 N40 -","4","0.5","","Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Yao, Yuan-Gen","Novel Copper(I)− and Copper(II)−Guanazolate Complexes: Structure, Network Topologies, Photoluminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","10","3735","","10.1021/cg800378c","","","0.71073","MoKα","","0.0523","0.0437","","","0.1296","0.139","","","","","","0.989","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503751","14.1589","0.0008","14.1589","0.0008","4.4486","0.0004","90","","90","","90","","891.83","0.11","293.15","","293.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C2 H4 Cu N5 O0 -","- C2 H4 Cu N5 -","- C16 H32 Cu8 N40 -","8","1","","Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Yao, Yuan-Gen","Novel Copper(I)− and Copper(II)−Guanazolate Complexes: Structure, Network Topologies, Photoluminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","10","3735","","10.1021/cg800378c","","","0.71073","MoKα","","0.0288","0.0258","","","0.0764","0.0785","","","","","","1.057","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503752","8.093","0.004","12.273","0.006","8.338","0.005","90","","110.533","0.009","90","","775.6","0.7","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cu4 N10 O10 S2 -","- C4 H10 Cu4 N10 O10 S2 -","- C8 H20 Cu8 N20 O20 S4 -","2","0.5","","Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Yao, Yuan-Gen","Novel Copper(I)− and Copper(II)−Guanazolate Complexes: Structure, Network Topologies, Photoluminescence, and Magnetic Properties","Crystal Growth & Design","2008","8","10","3735","","10.1021/cg800378c","","","0.71073","MoKα","","0.059","0.0496","","","0.1302","0.1345","","","","","","1.16","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503753","16.677","0.005","10.055","0.006","11.837","0.003","90","","119.726","0.002","90","","1723.7","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ni-Tea","","","- C12 H30 N3 Ni O9 -","- C12 H30 N3 Ni O9 -","- C48 H120 N12 Ni4 O36 -","4","0.5","","Sahu, Ranjan K.; Ray, A. K.; Mishra, T.; Pathak, L. C.","Microwave-Assisted Synthesis of Magnetic Ni Wire from a Metal−Organic Precursor Containing Ni(II) and Triethanolamine","Crystal Growth & Design","2008","8","10","3754","","10.1021/cg8003883","","","0.71069","MoKα","","0.0742","0.0538","","","0.1345","0.1455","","","","","","1.093","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503754","9.726","0.004","16.096","0.007","20.64","0.01","90","","92.107","0.005","90","","3229","2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl4 Mn N4 O6 -","- C28 H24 Cl4 Mn N4 O6 -","- C112 H96 Cl16 Mn4 N16 O24 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Chen, Qun; He, Ming-Yang; Cui, Ai-Jun; Li, Chao; Liu, Qi; Du, Miao","Solvent-Controlled Assembly of Manganese(II) Tetrachloroterephthalates with 1D Chain, 2D Layer, and 3D Coordination Architectures","Crystal Growth & Design","2008","8","9","3437","","10.1021/cg8003905","","","0.71073","MoKα","","0.0627","0.0402","","","0.1152","0.1289","","","","","","1.08","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503755","13.8957","0.0011","15.0403","0.0011","18.9997","0.0014","90","","90","","90","","3970.9","0.5","291","2","291","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H16 Cl4 Mn O8 -","- C12 H16 Cl4 Mn O8 -","- C96 H128 Cl32 Mn8 O64 -","8","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Chen, Qun; He, Ming-Yang; Cui, Ai-Jun; Li, Chao; Liu, Qi; Du, Miao","Solvent-Controlled Assembly of Manganese(II) Tetrachloroterephthalates with 1D Chain, 2D Layer, and 3D Coordination Architectures","Crystal Growth & Design","2008","8","9","3437","","10.1021/cg8003905","","","0.71073","MoKα","","0.0663","0.0461","","","0.0849","0.0887","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503756","7.5474","0.001","7.7557","0.001","10.2307","0.0013","77.722","0.001","77.731","0.001","72.166","0.001","550.01","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl4 Mn O10 -","- C16 H20 Cl4 Mn O10 -","- C16 H20 Cl4 Mn O10 -","1","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Chen, Qun; He, Ming-Yang; Cui, Ai-Jun; Li, Chao; Liu, Qi; Du, Miao","Solvent-Controlled Assembly of Manganese(II) Tetrachloroterephthalates with 1D Chain, 2D Layer, and 3D Coordination Architectures","Crystal Growth & Design","2008","8","9","3437","","10.1021/cg8003905","","","0.71073","MoKα","","0.0365","0.033","","","0.0895","0.1035","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503757","17.772","0.005","36.874","0.01","12.641","0.004","90","","90","","90","","8284","4","291","2","291","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C55 H35 Cl20 Mn5 N5 O25 -","- C55 H35 Cl20 Mn5 N5 O25 -","- C220 H140 Cl80 Mn20 N20 O100 -","4","0.25","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Chen, Qun; He, Ming-Yang; Cui, Ai-Jun; Li, Chao; Liu, Qi; Du, Miao","Solvent-Controlled Assembly of Manganese(II) Tetrachloroterephthalates with 1D Chain, 2D Layer, and 3D Coordination Architectures","Crystal Growth & Design","2008","8","9","3437","","10.1021/cg8003905","","","0.71073","MoKα","","0.0978","0.0557","","","0.1104","0.1188","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503758","11.9508","0.0015","11.9508","0.0015","13.296","0.003","90","","90","","90","","1899","0.5","294","2","294","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C8 H14 Cl Mn2 Mo N8 O7 -","- C8 H12 Cl Mn2 Mo N8 O7 -","- C32 H48 Cl4 Mn8 Mo4 N32 O28 -","4","0.125","","Ma, Shu-Lin; Ma, Yue; Ren, Shi; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng","A New Bimetallic Ferrimagnet ([Mn2II(H2O)2(CH3COO)][MoV(CN)8]·2H2O)nand Its Antiferromagnetic Analogue ([Mn2II(H2O)3Cl][MoV(CN)8]·4H2O)n","Crystal Growth & Design","2008","8","10","3761","","10.1021/cg800392a","","","0.71073","MoKα","","0.0654","0.0607","","","0.1545","0.157","","","","","","1.263","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503759","11.9168","0.0017","11.9168","0.0017","13.205","0.003","90","","90","","90","","1875.2","0.6","293","2","293","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C10 H11 Mn2 Mo N8 O6 -","- C10 H8 Mn2 Mo N8 O6 -","- C40 H32 Mn8 Mo4 N32 O24 -","4","0.125","","Ma, Shu-Lin; Ma, Yue; Ren, Shi; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng","A New Bimetallic Ferrimagnet ([Mn2II(H2O)2(CH3COO)][MoV(CN)8]·2H2O)nand Its Antiferromagnetic Analogue ([Mn2II(H2O)3Cl][MoV(CN)8]·4H2O)n","Crystal Growth & Design","2008","8","10","3761","","10.1021/cg800392a","","","0.71073","MoKα","","0.029","0.0287","","","0.0724","0.0726","","","","","","1.196","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503760","8.6389","0.0007","8.7583","0.0008","9.8337","0.0009","85.482","0.002","68.146","0.002","88.461","0.002","688.42","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N6 Ni O12 -","- C24 H32 N6 Ni O12 -","- C24 H32 N6 Ni O12 -","1","0.5","","Choudhury, Somnath Ray; Gamez, Patrick; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Mukhopadhyay, Subrata","Experimental Observation of Supramolecular Carbonyl-π/π-π/π-carbonyl and Carbonyl-π/π-π/π-anion Assemblies Supported by Theoretical Studies","Crystal Growth & Design","2008","8","10","3773","","10.1021/cg800403p","","x-ray","0.71073","MoKα","","0.0402","0.0316","","","0.0643","0.0658","","","","","","1.424","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503761","6.9946","0.0007","7.8872","0.0009","9.5558","0.001","96.301","0.002","108.469","0.002","104.092","0.002","474.86","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cu N4 O10 -","- C16 H22 Cu N4 O10 -","- C16 H22 Cu N4 O10 -","1","0.5","","Choudhury, Somnath Ray; Gamez, Patrick; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Mukhopadhyay, Subrata","Experimental Observation of Supramolecular Carbonyl-π/π-π/π-carbonyl and Carbonyl-π/π-π/π-anion Assemblies Supported by Theoretical Studies","Crystal Growth & Design","2008","8","10","3773","","10.1021/cg800403p","","","0.71073","MoKα","","0.0218","0.0215","","","0.0618","0.062","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503762","7.1107","0.0002","10.8105","0.0002","11.5483","0.0003","89.331","0.002","86.593","0.002","76.129","0.002","860.31","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 N10 Ni O16 -","- C26 H36 N10 Ni O16 -","- C26 H36 N10 Ni O16 -","1","0.5","","Choudhury, Somnath Ray; Gamez, Patrick; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Mukhopadhyay, Subrata","Experimental Observation of Supramolecular Carbonyl-π/π-π/π-carbonyl and Carbonyl-π/π-π/π-anion Assemblies Supported by Theoretical Studies","Crystal Growth & Design","2008","8","10","3773","","10.1021/cg800403p","","x-ray","0.71073","MoKα","","0.0436","0.0333","","","0.0834","0.0865","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503763","12.3396","0.0004","13.2484","0.0004","18.11","0.0006","94.692","0.001","91.881","0.001","105.339","0.001","2841.02","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ag3 Ce4 H60 O108 W22 -","- Ag3 Ce4 H60 O108 W22 -","- Ag3 Ce4 H60 O108 W22 -","1","0.5","","Pang, Haijun; Zhang, Chunjing; Shi, Dongmei; Chen, Yaguang","Synthesis of a Purely Inorganic Three-Dimensional Porous Framework Based on Polyoxometalates and 4d−4f Heterometals","Crystal Growth & Design","2008","8","12","4476","","10.1021/cg800410x","","","0.71073","MoKα","","0.0727","0.0533","","","0.1466","0.1558","","","","","","1.058","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503764","12.599","0.007","12.599","0.007","25.48","0.03","90","","90","","90","","4045","6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C30 H51 Br7 Cu4 N3 O2 -","- C30 H51 Br7 Cu4 N3 O2 -","- C120 H204 Br28 Cu16 N12 O8 -","4","1","","Ye, Qiong; Hang, Tian; Fu, Da-Wei; Xu, Guang-Hai; Xiong, Ren-Gen","Typical Ferroelectric Olefin-copper(I) Organometallic Oligmer with Flexible Organic Ligand","Crystal Growth & Design","2008","8","10","3501","","10.1021/cg8004129","","","0.71073","MoKα","","0.123","0.0874","","","0.2409","0.2734","","","","","","1.066","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503765","10.322","0.003","9.907","0.002","12.752","0.003","90","","105.846","0.004","90","","1254.5","0.5","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H24 Cd N4 O2 S2 -","- C26 H18 Cd N4 O2 S2 -","- C52 H36 Cd2 N8 O4 S4 -","2","0.5","","Han, Lei; Zhao, Wenna; Zhou, Yan; Li, Xing; Pan, Jianguo","One-Pot Synthesis of Supramolecular Isomers with Two-Dimensional 44Grid and Three-Dimensional 64·82NbO Frameworks: Solvothermal in Situ Ligand Formation and Conformational Isomers Separation","Crystal Growth & Design","2008","8","10","3504","","10.1021/cg800424t","","","0.71073","MoKα","","0.0747","0.0457","","","0.0932","0.1011","","","","","","0.99","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503766","27.012","0.002","27.012","0.002","13.3298","0.0017","90","","90","","120","","8423","1.4","298","2","298","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C26 H24 Cd N4 O2 S2 -","- C26 H18 Cd N4 O2 S2 -","- C234 H162 Cd9 N36 O18 S18 -","9","0.25","","Han, Lei; Zhao, Wenna; Zhou, Yan; Li, Xing; Pan, Jianguo","One-Pot Synthesis of Supramolecular Isomers with Two-Dimensional 44Grid and Three-Dimensional 64·82NbO Frameworks: Solvothermal in Situ Ligand Formation and Conformational Isomers Separation","Crystal Growth & Design","2008","8","10","3504","","10.1021/cg800424t","","","0.71073","MoKα","","0.045","0.0372","","","0.1475","0.1561","","","","","","1.107","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503767","10.925","0.002","12.028","0.002","14.663","0.003","107.87","0.03","107.33","0.03","102.11","0.03","1651.6","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Co2 N8 O11 Tb -","- C30 H21 Co2 N8 O11 Tb -","- C60 H42 Co4 N16 O22 Tb2 -","2","1","","Yang, Yu-ting; Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Employing An Unprecedented Ferromagnetic Molecular Building Block (MBB) of [Co2Ln(μ3-OH)(CO2)5(N3)]2(Ln = Tb, Gd, Dy, Eu, Sm) to Construct a 6-Connected α-Po Net","Crystal Growth & Design","2008","8","10","3508","","10.1021/cg800431b","","","0.71073","MoKα","","0.0272","0.0244","","","0.0591","0.0605","","","","","","1.018","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503768","10.937","0.002","12.017","0.002","14.681","0.003","107.94","0.03","107.4","0.03","101.9","0.03","1654.4","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H40 Co4 Gd2 N16 O22 -","- C60 H40 Co4 Gd2 N16 O22 -","- C60 H40 Co4 Gd2 N16 O22 -","1","0.5","","Yang, Yu-ting; Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Employing An Unprecedented Ferromagnetic Molecular Building Block (MBB) of [Co2Ln(μ3-OH)(CO2)5(N3)]2(Ln = Tb, Gd, Dy, Eu, Sm) to Construct a 6-Connected α-Po Net","Crystal Growth & Design","2008","8","10","3508","","10.1021/cg800431b","","","0.71073","MoKα","","0.0481","0.0399","","","0.0994","0.1174","","","","","","1.105","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503769","10.918","0.002","12.042","0.002","14.638","0.003","107.8","0.03","107.26","0.03","102.29","0.03","1649.5","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 Co4 Dy2 N16 O22 -","- C60 H42 Co4 Dy2 N16 O22 -","- C60 H42 Co4 Dy2 N16 O22 -","1","0.5","","Yang, Yu-ting; Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Employing An Unprecedented Ferromagnetic Molecular Building Block (MBB) of [Co2Ln(μ3-OH)(CO2)5(N3)]2(Ln = Tb, Gd, Dy, Eu, Sm) to Construct a 6-Connected α-Po Net","Crystal Growth & Design","2008","8","10","3508","","10.1021/cg800431b","","","0.71073","MoKα","","0.0263","0.023","","","0.0674","0.0719","","","","","","1.068","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503770","10.948","0.002","11.997","0.002","14.689","0.003","107.99","0.03","107.35","0.03","101.79","0.03","1655.5","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 Co4 Eu2 N16 O22 -","- C60 H42 Co4 Eu2 N16 O22 -","- C60 H42 Co4 Eu2 N16 O22 -","1","0.5","","Yang, Yu-ting; Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Employing An Unprecedented Ferromagnetic Molecular Building Block (MBB) of [Co2Ln(μ3-OH)(CO2)5(N3)]2(Ln = Tb, Gd, Dy, Eu, Sm) to Construct a 6-Connected α-Po Net","Crystal Growth & Design","2008","8","10","3508","","10.1021/cg800431b","","","0.71073","MoKα","","0.0297","0.0265","","","0.0743","0.0804","","","","","","1.141","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503771","10.957","0.002","11.985","0.002","14.705","0.003","108.08","0.03","107.33","0.03","101.67","0.03","1657.4","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 Co4 N16 O22 Sm2 -","- C60 H42 Co4 N16 O22 Sm2 -","- C60 H42 Co4 N16 O22 Sm2 -","1","0.5","","Yang, Yu-ting; Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Employing An Unprecedented Ferromagnetic Molecular Building Block (MBB) of [Co2Ln(μ3-OH)(CO2)5(N3)]2(Ln = Tb, Gd, Dy, Eu, Sm) to Construct a 6-Connected α-Po Net","Crystal Growth & Design","2008","8","10","3508","","10.1021/cg800431b","","","0.71073","MoKα","","0.0346","0.0286","","","0.0701","0.0801","","","","","","1.118","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503772","7.317","0.002","10.273","0.003","15.74","0.004","98.569","0.005","90.687","0.005","93.486","0.005","1167.5","0.6","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridyl-3,3'-bis(N,N'-disalicylidene)-formyhydrazone monohydrate","","- C26 H22 N6 O5 -","- C26 H22 N6 O5 -","- C52 H44 N12 O10 -","2","1","","Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun","Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation","Crystal Growth & Design","2008","8","10","3791","","10.1021/cg8004322","","","0.71073","MoKα","","0.0516","0.0427","","","0.1094","0.1162","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503773","24.084","0.005","8.6422","0.0013","16.236","0.003","90","","129.927","0.005","90","","2591.5","0.8","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N6 O6 -","- C28 H28 N6 O6 -","- C112 H112 N24 O24 -","4","0.5","","Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun","Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation","Crystal Growth & Design","2008","8","10","3791","","10.1021/cg8004322","","","0.71073","MoKα","","0.0649","0.0603","","","0.1549","0.1584","","","","","","1.168","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503774","19.1978","0.0012","12.9544","0.0006","27.0343","0.0016","90","","90","","90","","6723.3","0.7","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H30 Cu2 N10 O5 -","- C35 H30 Cu2 N10 O5 -","- C280 H240 Cu16 N80 O40 -","8","1","","Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun","Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation","Crystal Growth & Design","2008","8","10","3791","","10.1021/cg8004322","","","0.71073","MoKα","","0.0512","0.048","","","0.1271","0.1293","","","","","","1.111","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503775","17.89","0.19","23.53","0.19","12.53","0.11","90","","115.5","0.2","90","","4761","8","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl Fe2 N12 O14 -","- C52 H36 Cl Fe2 N12 O14 -","- C208 H144 Cl4 Fe8 N48 O56 -","4","0.5","","Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun","Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation","Crystal Growth & Design","2008","8","10","3791","","10.1021/cg8004322","","","0.71073","MoKα","","0.084","0.0681","","","0.1584","0.1697","","","","","","1.093","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503776","17.884","0.002","22.5739","0.0018","14.5042","0.0018","90","","123.911","0.004","90","","4859.5","0.9","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Fe2 N12 O12 -","- C52 H44 Fe2 N12 O12 -","- C208 H176 Fe8 N48 O48 -","4","0.5","","Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun","Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation","Crystal Growth & Design","2008","8","10","3791","","10.1021/cg8004322","","","0.71073","MoKα","","0.0708","0.0631","","","0.1425","0.1465","","","","","","1.135","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503777","18.024","0.007","22.506","0.007","14.515","0.006","90","","124.826","0.004","90","","4833","3","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C52 H41 Mn2 N12 O12 -","- C52 H33 Mn2 N12 O12 -","- C208 H132 Mn8 N48 O48 -","4","1","","Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun","Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation","Crystal Growth & Design","2008","8","10","3791","","10.1021/cg8004322","","","0.71073","MoKα","","0.0696","0.0562","","","0.1203","0.1306","","","","","","1.059","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503778","33.191","0.003","5.085","0.0005","11.303","0.001","90","","90.605","0.007","90","","1907.6","0.3","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R)-2-(3-methoxyphenoxy)propanoic acid/ (S)-2-(3-bromophenoxy)propanoic acid","","- C19 H21 Br O7 -","- C19 H21 Br O7 -","- C76 H84 Br4 O28 -","4","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","0.71073","MoKα","","0.0476","0.0365","","","0.0842","0.0889","","","","","","1.082","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503779","32.252","0.003","4.9983","0.0004","11.4878","0.0009","90","","90.346","0.003","90","","1851.9","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(rac)-2-(3-bromophenoxy)propionic acid","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C72 H72 Br8 O24 -","8","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","1.54178","CuKα","","0.024","0.0239","","","0.0639","0.064","","","","","","1.238","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503780","6.5305","0.0005","4.7954","0.0003","29.301","0.002","90","","91.773","0.003","90","","917.16","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","( rac) 2-(3-bromophenoxy)propionic acid (polymorph II)","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C36 H36 Br4 O12 -","4","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","0.71073","MoKα","","0.0257","0.0253","","","0.0661","0.0665","","","","","","1.069","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503781","33.735","0.009","5.188","0.0017","11.172","0.003","90","","90.149","0.002","90","","1955.3","1","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(rac)-2-(3-methoxyphenoxy)propanoic acid","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","0.71073","MoKα","","0.1111","0.0565","","","0.1266","0.1566","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503782","13.9238","0.0013","8.0603","0.0005","17.796","0.001","90","","90","","90","","1997.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-2-(3-methoxyphenoxy)propanoic acid","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","0.71073","MoKα","","0.0943","0.0474","","","0.0933","0.1103","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503783","6.62","0.002","4.911","0.001","15.332","0.004","90","","101.158","0.013","90","","489","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-2-(3-bromophenoxy)propanoic acid","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C18 H18 Br2 O6 -","2","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","0.71073","MoKα","","0.0582","0.0433","","","0.0929","0.099","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503784","7.832","0.002","6.1604","0.0007","11.563","0.002","90","","96.18","0.02","90","","554.65","0.18","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-2-(3-methoxyphenoxy)propanoic acid","","- C10 H14 O5 -","- C10 H14 O5 -","- C20 H28 O10 -","2","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","1.54178","CuKα","","0.0542","0.0535","","","0.1319","0.1337","","","","","","1.085","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503785","16.283","0.003","13.068","0.003","8.4025","0.0017","90","","93.52","0.03","90","","1784.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H14 Cu I N2 -","- C13 H14 Cu I N2 -","- C52 H56 Cu4 I4 N8 -","4","0.5","","Chen, Yang; Li, Hong-Xi; Liu, Dong; Liu, Lei-Lei; Li, Ni-Ya; Ye, Huan-Ying; Zhang, Yong; Lang, Jian-Ping","Solvent Effects on the Assembly of [Cu2I2]- or [Cu4I4]-Based Coordination Polymers: Isolation, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3810","","10.1021/cg8004568","","","0.71073","MoKα","","0.1083","0.082","","","0.1926","0.2097","","","","","","1.042","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503786","11.41","0.002","13.446","0.003","19.377","0.004","100.08","0.03","96.88","0.03","107.19","0.03","2749.3","1.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H59 Cu3 I3 N9 -","- C53 H57 Cu3 I3 N9 -","- C106 H114 Cu6 I6 N18 -","2","1","","Chen, Yang; Li, Hong-Xi; Liu, Dong; Liu, Lei-Lei; Li, Ni-Ya; Ye, Huan-Ying; Zhang, Yong; Lang, Jian-Ping","Solvent Effects on the Assembly of [Cu2I2]- or [Cu4I4]-Based Coordination Polymers: Isolation, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3810","","10.1021/cg8004568","","","0.71073","MoKα","","0.0915","0.0584","","","0.1115","0.1267","","","","","","1.095","","","","has coordinates,has disorder","179572","2020-10-21","18:00:00",""
"4503787","10.162","0.002","11.792","0.002","17.655","0.004","88.18","0.03","88.21","0.03","65","0.03","1916.1","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cu2 I2 N6 -","- C38 H42 Cu2 I2 N6 -","- C76 H84 Cu4 I4 N12 -","2","1","","Chen, Yang; Li, Hong-Xi; Liu, Dong; Liu, Lei-Lei; Li, Ni-Ya; Ye, Huan-Ying; Zhang, Yong; Lang, Jian-Ping","Solvent Effects on the Assembly of [Cu2I2]- or [Cu4I4]-Based Coordination Polymers: Isolation, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3810","","10.1021/cg8004568","","","0.71073","MoKα","","0.1145","0.0654","","","0.1375","0.1625","","","","","","1.108","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503788","15.666","0.005","25.131","0.008","37.527","0.013","90","","90","","90","","14774","8","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C26 H28 Cu4 I4 N4 -","- C25.999 H27.078 Cu4 I4 N4 -","- C415.984 H433.248 Cu64 I64 N64 -","16","1","","Chen, Yang; Li, Hong-Xi; Liu, Dong; Liu, Lei-Lei; Li, Ni-Ya; Ye, Huan-Ying; Zhang, Yong; Lang, Jian-Ping","Solvent Effects on the Assembly of [Cu2I2]- or [Cu4I4]-Based Coordination Polymers: Isolation, Structures, and Luminescent Properties","Crystal Growth & Design","2008","8","10","3810","","10.1021/cg8004568","","","0.71073","MoKα","","0.1299","0.0448","","","0.0554","0.0578","","","","","","1.005","","","","has coordinates,has disorder","179572","2020-10-21","18:00:00",""
"4503789","17.1569","0.0002","17.3835","0.0002","19.253","0.0002","103.552","0.001","115.395","0.001","98.306","0.001","4842.75","0.12","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","RP284","","","- C132 H32 Mn9 N56 O26 W6 -","- C132 H32 Mn9 N56 O26 W6 -","- C132 H32 Mn9 N56 O26 W6 -","1","0.5","","Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Testing the High Spin MnII9WV6Cluster as Building Block for Three-Dimensional Coordination Networks","Crystal Growth & Design","2008","8","10","3817","","10.1021/cg800470e","","x-ray","0.71073","MoKα","","0.0938","0.0588","","","0.1513","0.1867","","","","","","1.065","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503790","30.6147","0.0018","30.6147","0.0018","8.3342","0.0009","90","","90","","120","","6764.8","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H25 Cl2 Cu N8 O16.5 -","- C18 H20 Cl2 Cu N8 O14.5 -","- C162 H180 Cl18 Cu9 N72 O130.5 -","9","0.5","","Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.","Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions","Crystal Growth & Design","2008","8","11","3897","","10.1021/cg800476a","","","0.71073","MoKα","","0.0843","0.0556","","","0.1634","0.192","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503791","30.536","0.006","30.536","0.006","8.27","0.003","90","","90","","120","","6678","3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H25 B2 Cu F8 N8 O8.5 -","- C18 H20 B2 Cu F8 N8 O6.5 -","- C162 H180 B18 Cu9 F72 N72 O58.5 -","9","0.5","","Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.","Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions","Crystal Growth & Design","2008","8","11","3897","","10.1021/cg800476a","","","0.71073","MoKα","","0.1031","0.0717","","","0.1888","0.2245","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503792","30.938","0.003","30.938","0.003","8.399","0.0018","90","","90","","120","","6962.1","1.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C18 H20 Cu F12 N8 O6.5 P2 -","- C18 H20 Cu F12 N8 O6.5 P2 -","- C162 H180 Cu9 F108 N72 O58.5 P18 -","9","0.5","","Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.","Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions","Crystal Growth & Design","2008","8","11","3897","","10.1021/cg800476a","","","0.71073","MoKα","","0.0594","0.05","","","0.1608","0.1717","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503793","30.489","0.003","30.489","0.003","8.2611","0.0017","90","","90","","120","","6650.5","1.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H25 Cl2 Cu N8 O16.5 -","- C18 H20 Cl2 Cu N8 O16.5 -","- C162 H180 Cl18 Cu9 N72 O148.5 -","9","0.5","","Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.","Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions","Crystal Growth & Design","2008","8","11","3897","","10.1021/cg800476a","","","0.71073","MoKα","","0.064","0.0514","","","0.1511","0.1636","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503794","12.6665","0.0016","18.196","0.002","10.9031","0.0014","90","","103.115","0.003","90","","2447.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Cd2 N18 O18 -","- C34 H52 Cd2 N18 O18 -","- C68 H104 Cd4 N36 O36 -","2","0.5","","Wang, Li-Yan; Yang, Yuan; Liu, Kui; Li, Bao-Long; Zhang, Yong","A New “Opened-Cube” (H2O)10Cluster and Undulated Water Chain in Porous Metal−Organic Frameworks","Crystal Growth & Design","2008","8","11","3902","","10.1021/cg800484k","","","0.7107","MoKα","","0.0478","0.0405","","","0.0941","0.0984","","","","","","1.089","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503795","14.5197","0.0014","11.0769","0.001","21.106","0.002","90","","107.72","0.002","90","","3233.5","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Cd2 N6 O15.5 -","- C24 H35 Cd2 N6 O15.5 -","- C96 H140 Cd8 N24 O62 -","4","1","","Wang, Li-Yan; Yang, Yuan; Liu, Kui; Li, Bao-Long; Zhang, Yong","A New “Opened-Cube” (H2O)10Cluster and Undulated Water Chain in Porous Metal−Organic Frameworks","Crystal Growth & Design","2008","8","11","3902","","10.1021/cg800484k","","","0.7107","MoKα","","0.0266","0.025","","","0.0615","0.0624","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503796","26.501","0.003","26.501","0.003","16.0276","0.0019","90","","90","","120","","9748.2","1.9","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H24 Cl Mn N2 O7 -","- C18 H24 Cl Mn N2 O7 -","- C324 H432 Cl18 Mn18 N36 O126 -","18","1","","Li, Chun-Hong; Huang, Kun-Lin; Dou, Jian-Min; Chi, Ying-Nan; Xu, Yan-Qing; Shen, Long; Wang, Da-Qi; Hu, Chang-Wen","An Interesting Six-Connected 3D Nanowater Framework Constructed from Turbine-Type (H2O)18Clusters Based on a Mn(III) Complex","Crystal Growth & Design","2008","8","9","3141","","10.1021/cg800504a","","","0.71073","MoKα","","0.1195","0.0575","","","0.1413","0.1901","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503797","10.4951","0.0005","17.3181","0.0009","16.1159","0.0008","90","","97.373","0.001","90","","2904.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H58 N24 O3 Zn2 -","- C54 H58 N24 O3 Zn2 -","- C108 H116 N48 O6 Zn4 -","2","1","","Fu, Da-Wei; Zhang, Wen; Xiong, Ren-Gen","Isotope Effect on SHG Response and Ferroelectric Properties of a Homochiral Zinc Coordination Compound Containing Tetrazole Ligand","Crystal Growth & Design","2008","8","9","3461","","10.1021/cg800507k","","","0.71073","MoKα","","0.0678","0.0573","","","0.1175","0.1197","","","","","","1.013","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503798","10.5166","0.0008","17.3154","0.0012","16.247","0.0012","90","","96.811","0.002","90","","2937.7","0.4","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H56 D2 N24 O3 Zn2 -","- C54 H56 D2 N24 O3 Zn2 -","- C108 H112 D4 N48 O6 Zn4 -","2","1","","Fu, Da-Wei; Zhang, Wen; Xiong, Ren-Gen","Isotope Effect on SHG Response and Ferroelectric Properties of a Homochiral Zinc Coordination Compound Containing Tetrazole Ligand","Crystal Growth & Design","2008","8","9","3461","","10.1021/cg800507k","","","0.71073","MoKα","","0.0725","0.0622","","","0.1271","0.1299","","","","","","1.029","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503799","9.0169","0.0003","6.8086","0.0002","9.3777","0.0003","90","","101.209","0.0017","90","","564.74","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Ethynyl-2,4(1H,3H)-pyrimidinedione - eniluracil","","- C6 H4 N2 O2 -","- C6 H4 N2 O2 -","- C24 H16 N8 O8 -","4","1","","Copley, Royston C. B.; Barnett, Sarah A.; Karamertzanis, Panagiotis G.; Harris, Kenneth D. M.; Kariuki, Benson M.; Xu, Mingcan; Nickels, E. Anne; Lancaster, Robert W.; Price, Sarah L.","Predictable Disorder versus Polymorphism in the Rationalization of Structural Diversity: A Multidisciplinary Study of Eniluracil","Crystal Growth & Design","2008","8","9","3474","","10.1021/cg800517h","","","1.54178","CuKα","","0.0485","0.0455","","","0.1449","0.1478","","","","","","1.173","","","","has coordinates,has disorder","179572","2020-10-21","18:00:00",""
"4503800","17.5341","0.0011","8.9942","0.0006","19.9186","0.0013","90","","90.411","0.001","90","","3141.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 F2 N6 O8.5 -","- C32 H41 F2 N6 O8.5 -","- C128 H164 F8 N24 O34 -","4","1","","Roy, Saikat; Goud, N. Rajesh; Babu, N. Jagadeesh; Iqbal, Javed; Kruthiventi, Anil K.; Nangia, Ashwini","Crystal Structures of Norfloxacin Hydrates","Crystal Growth & Design","2008","8","12","4343","","10.1021/cg800519d","","","0.71073","MoKα","","0.0563","0.0484","","","0.124","0.1321","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503801","17.4911","0.0016","8.9542","0.0008","19.799","0.0018","90","","90.255","0.002","90","","3100.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C128 H160 F8 N24 O33 -","- C128 H160 F8 N24 O33 -","- C128 H160 F8 N24 O33 -","1","0.25","","Roy, Saikat; Goud, N. Rajesh; Babu, N. Jagadeesh; Iqbal, Javed; Kruthiventi, Anil K.; Nangia, Ashwini","Crystal Structures of Norfloxacin Hydrates","Crystal Growth & Design","2008","8","12","4343","","10.1021/cg800519d","","","0.71073","MoKα","","0.1732","0.1122","","","0.1763","0.1994","","","","","","1.183","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503802","8.7445","0.0008","8.9531","0.0008","19.7977","0.0019","90","","90.256","0.002","90","","1550","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F N3 O4.13 -","- C16 H20 F N3 O4.13 -","- C64 H80 F4 N12 O16.52 -","4","1","","Roy, Saikat; Goud, N. Rajesh; Babu, N. Jagadeesh; Iqbal, Javed; Kruthiventi, Anil K.; Nangia, Ashwini","Crystal Structures of Norfloxacin Hydrates","Crystal Growth & Design","2008","8","12","4343","","10.1021/cg800519d","","","0.71073","MoKα","","0.1495","0.1079","","","0.1851","0.2037","","","","","","1.116","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503803","5.723","0.0003","5.723","0.0003","30.923","0.002","90","","90","","90","","1012.81","0.1","130","2","130","2","","","","","","","","3","P 41","P 4w","76","dihyanthraquin_P41_LT","dihyanthraquin_P41_LT","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.7107","MoKα","","0.0977","0.0676","","","0.1642","0.1799","","","","","","1.041","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503804","5.746","0.003","5.746","0.003","31.39","0.05","90","","90","","90","","1036.4","1.8","293","2","293","2","","","","","","","","3","P 41","P 4w","76","dihyanthraquin_P41_RT-Polymorph1","dihyanthraquin_P41_RT-Polymorph1","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.71073","MoKα","","0.1272","0.0647","","","0.1622","0.1962","","","","","","1.139","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503805","21.578","0.002","3.766","0.0016","24.683","0.002","90","","90","","90","","2005.8","0.9","130","2","130","2","","","","","","","","3","P c a 21","P 2c -2ac","29","dihyanthraquin_meta_LT","dihyanthraquin_meta_LT","","- C14 H8 O4 -","- C14 H8 O4 -","- C112 H64 O32 -","8","2","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.7107","MoKα","","0.1535","0.0497","","","0.0919","0.1152","","","","","","0.863","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503806","10.211","0.0015","10.308","0.0015","19.776","0.003","78.058","0.008","83.905","0.009","88.995","0.011","2024.9","0.5","130","2","130","2","","","","","","","","3","P -1","-P 1","2","dihyanthraquin_Pb1_LT","dihyanthraquin_Pb1_LT","","- C14 H8 O4 -","- C14 H8 O4 -","- C112 H64 O32 -","8","4","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.7107","MoKα","","0.2","0.0685","","","0.1121","0.1496","","","","","","0.904","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503807","7.293","0.0005","9.5001","0.0007","14.7208","0.0011","90","","91.634","0.002","90","","1019.5","0.13","110","2","110","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","dihyanthraquin_P21/n_LT","dihyanthraquin_P21/n_LT","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.71073","MoKα","","0.0754","0.063","","","0.1658","0.1826","","","","","","1.073","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503808","5.7486","0.0006","5.7486","0.0006","31.437","0.005","90","","90","","90","","1038.9","0.2","295","2","295","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","dihyanthraquin_P41212_RT","dihyanthraquin_P41212_RT","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","0.5","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.71073","MoKα","","0.1311","0.0721","","","0.1717","0.1989","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503809","5.714","0.0016","5.714","0.0016","30.845","0.014","90","","90","","90","","1007.1","0.6","130","2","130","2","","","","","","","","3","P 41","P 4w","76","dihyanthraquin_P41_LT-Polymorph5","dihyanthraquin_P41_LT-Polymorph5","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.71073","MoKα","","0.1788","0.1018","","","0.2093","0.2408","","","","","","1.154","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503810","7.2921","0.0006","7.5161","0.0007","7.6282","0.0005","88.9","0.005","78.627","0.006","80.188","0.004","403.84","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 Cu N2 O5 -","- C5 H9 Cu N2 O5 -","- C10 H18 Cu2 N4 O10 -","2","1","","Karabach, Yauhen Y.; Kirillov, Alexander M.; Haukka, Matti; Sanchiz, Joaquin; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Multicopper(II) Pyromellitate Compounds: Self-Assembly Synthesis, Structural Topologies, and Magnetic Features","Crystal Growth & Design","2008","8","11","4100","","10.1021/cg8005597","","","0.71073","MoKα","","0.0419","0.0333","","","0.0824","0.0862","","","","","","1.065","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503811","7.5307","0.0002","8.7478","0.0003","8.7673","0.0004","100.595","0.002","93.595","0.002","115.24","0.002","507.01","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H13 Cu N2 O5 -","- C7 H13 Cu N2 O5 -","- C14 H26 Cu2 N4 O10 -","2","1","","Karabach, Yauhen Y.; Kirillov, Alexander M.; Haukka, Matti; Sanchiz, Joaquin; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Multicopper(II) Pyromellitate Compounds: Self-Assembly Synthesis, Structural Topologies, and Magnetic Features","Crystal Growth & Design","2008","8","11","4100","","10.1021/cg8005597","","","0.71073","MoKα","","0.0446","0.0329","","","0.0844","0.0914","","","","","","1.055","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503812","8.603","0.0005","9.1945","0.0004","10.9382","0.0006","87.167","0.003","71.93","0.003","79.282","0.003","808.16","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 Cu2 N4 O14 -","- C26 H46 Cu2 N4 O14 -","- C26 H46 Cu2 N4 O14 -","1","0.5","","Karabach, Yauhen Y.; Kirillov, Alexander M.; Haukka, Matti; Sanchiz, Joaquin; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Multicopper(II) Pyromellitate Compounds: Self-Assembly Synthesis, Structural Topologies, and Magnetic Features","Crystal Growth & Design","2008","8","11","4100","","10.1021/cg8005597","","","0.71073","MoKα","","0.0647","0.0374","","","0.075","0.0841","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503813","9.1082","0.0018","10.184","0.002","11.642","0.002","65.43","0.03","81.75","0.03","69.72","0.03","921.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 Mn N2 O6 -","- C18 H21 Mn N2 O6 -","- C36 H42 Mn2 N4 O12 -","2","1","","Kou, Hui-Zhong; Wang, Yi-Tong; Luo, Wang-Xi; Xie, Qi-Wei; Tao, Jun; Cui, Ai-Li; Shen, De-Zhong","One-Dimensional Mn(III) Coordination Polymer Exhibiting Ferromagnetic Coupling","Crystal Growth & Design","2008","8","11","3908","","10.1021/cg800560x","","","0.71073","MoKα","","0.1448","0.0665","","","0.1107","0.1246","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503814","10.55","0.002","8.526","0.0017","18.152","0.004","90","","97.26","0.03","90","","1619.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Mn N2 O5 -","- C17 H17 Mn N2 O5 -","- C68 H68 Mn4 N8 O20 -","4","1","","Kou, Hui-Zhong; Wang, Yi-Tong; Luo, Wang-Xi; Xie, Qi-Wei; Tao, Jun; Cui, Ai-Li; Shen, De-Zhong","One-Dimensional Mn(III) Coordination Polymer Exhibiting Ferromagnetic Coupling","Crystal Growth & Design","2008","8","11","3908","","10.1021/cg800560x","","","0.71073","MoKα","","0.028","0.0256","","","0.0717","0.0729","","","","","","1.076","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503815","5.201","0.011","14.568","0.003","10.994","0.003","90","","100.45","0.05","90","","819.2","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2:1 Co-crystal of 3HBA + Pyrazine","2:1 Co-crystal of 3-hydroxybenzoic acid and Pyrazine","","- C9 H8 N O3 -","- C9 H8 N O3 -","- C36 H32 N4 O12 -","4","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0532","0.0418","","","0.1007","0.109","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503816","7.367","0.009","23.716","0.003","12.552","0.015","90","","103.033","0.002","90","","2137","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 Complex of 4HBA + BPEA","2:1 Complex of 4-hydroxybenzoic acid and 1,2-bis(4-pyridine)ethane","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0681","0.0472","","","0.1082","0.1263","","","","","","1.032","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503817","26.78","0.004","7.445","0.002","19.471","0.003","90","","131.101","0.002","90","","2925.3","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1:1 Co-crystal of 4HBA + 4PP","1:1 Co-crystal of 4-hydroxybenzoic acid and 4-phenylpyridine","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0864","0.0497","","","0.1224","0.1704","","","","","","1.012","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503818","5.942","0.009","6.818","0.01","10.638","0.016","102.963","0.003","97.383","0.002","100.057","0.003","407.2","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2:1 Co-crystal of 4HBA + Pyrazine","2:1 Co-crystal of 4-hydroxybenzoic acid and Pyrazine","","- C9 H8 N O3 -","- C9 H8 N O3 -","- C18 H16 N2 O6 -","2","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0486","0.0456","","","0.1213","0.1306","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503819","11.693","0.004","8.694","0.003","12.722","0.004","90","","94.92","0.007","90","","1288.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1:2 Co-crystal of 4HBA + TMP + CH3CN","2:1:2 Co-crystal of 4-hydroxybenzoic acid, Tetramethylpyrazine and CH3CN","","- C13 H15 N2 O3 -","- C13 H15 N2 O3 -","- C52 H60 N8 O12 -","4","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0683","0.0461","","","0.111","0.1218","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503820","9.203","0.016","20.819","0.004","11.827","0.002","90","","93.487","0.003","90","","2262","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:2 Co-crystal of 3HBA + 4PP","1:2 Co-crystal of 3-hydroxybenzoic acid and 4-phenylpyridine","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0848","0.0534","","","0.1085","0.1343","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503821","7.981","0.015","8.931","0.017","11.209","0.002","97.585","0.003","90.745","0.004","90.665","0.004","792","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 3HBA + BPEA","1:1 Co-crystal of 3-hydroxybenzoic acid and BPEA","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.1002","0.081","","","0.224","0.2338","","","","","","1.186","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503822","8.197","0.012","8.883","0.012","10.361","0.015","72.213","0.003","72.678","0.002","86.773","0.003","685.3","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 3HBA + BP","1:1 Co-crystal of 3-hydroxybenzoic acid and 4,4'-dipyridyl","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C34 H28 N4 O6 -","2","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.051","0.0442","","","0.1109","0.1196","","","","","","1.092","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503823","7.285","0.0009","12.147","0.015","14.432","0.018","87.837","0.002","85.937","0.002","80.916","0.002","1257","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 3HBA + Quinoxaline","1:1 Co-crystal of 3-hydroxybenzoic acid and Quinoxaline","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","2","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0635","0.0498","","","0.1194","0.1393","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503824","9.461","0.014","17.807","0.003","11.081","0.017","90","","92.184","0.003","90","","1865","4","50","2","50","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:3 Co-crystal of 3HBA + TMP","2:3 Co-crystal of 3-hydroxybenzoic acid and Tetramethylpyrazine","","- C19 H24 N3 O3 -","- C19 H24 N3 O3 -","- C76 H96 N12 O12 -","4","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0868","0.0576","","","0.1303","0.1441","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503825","5.9682","0.0008","8.7387","0.0012","17.938","0.003","78.473","0.002","82.09","0.003","88.921","0.003","907.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 6HNA + BPEE","1:1 Co-crystal of 6-hydroxy-2-naphthoic acid and BPEE","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C46 H36 N4 O6 -","2","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0785","0.0564","","","0.1282","0.1454","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503826","6.193","0.019","6.957","0.002","18.499","0.005","95.046","0.006","94.058","0.007","103.928","0.006","767","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 4HBA + BPEE","1:1 Co-crystal of 4-hydroxybenzoic acid and BPEE","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.1223","0.0682","","","0.1366","0.1761","","","","","","0.999","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503827","7.901","0.013","10.31","0.016","10.863","0.017","114.081","0.002","103.883","0.003","93.041","0.003","773","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 Co-crystal of 3HBA + BPEE","1:1 Co-crystal of 3-hydroxybenzoic acid and BPEE","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0459","0.0416","","","0.1112","0.1143","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503828","5.038","0.004","10.012","0.008","10.362","0.008","90","","100.33","0.015","90","","514.2","0.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","1:1 Complex of 3HPY + BA","1:1 Complex of 3-hydroxypyridine and Benzoic acid","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0769","0.0597","","","0.137","0.1483","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503829","10.218","0.005","11.001","0.006","10.412","0.005","90","","99.983","0.009","90","","1152.7","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 complex of 3HP + IPT","1:1 ratio complex of 3-hydroxypyridinium and isophthalate ion","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety","Crystal Growth & Design","2008","8","12","4533","","10.1021/cg800565a","","","0.71073","MoKα","","0.0776","0.0566","","","0.1359","0.1459","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503830","9.392","0.0006","16.8501","0.0011","23.7478","0.0016","90","","90.237","0.004","90","","3758.2","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","0.5:1:6 succinic acid:I:methanol","Iminodicarboxylic acid trans-4-aminocyclohexyl mutilin-14 ester, succinic acid salt, methanol solvate (2:1:6)","","- C66 H118 N4 O22 -","- C66 H118 N4 O22 -","- C132 H236 N8 O44 -","2","1","","Clawson, Jacalyn S.; Vogt, Frederick G.; Brum, Jeffrey; Sisko, Joseph; Patience, Daniel B.; Dai, Wenning; Sharpe, Sonja; Jones, Alan D.; Pham, Tran N.; Johnson, Matthew N.; Copley, Royston C. P.","Formation and Characterization of Crystals Containing a Pleuromutilin Derivative, Succinic Acid and Water","Crystal Growth & Design","2008","8","11","4120","","10.1021/cg8005713","","","1.54178","CuKα","","0.0833","0.0824","","","0.2213","0.2226","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503831","9.5171","0.0011","16.7926","0.0019","24.166","0.003","90","","90","","90","","3862.1","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","I (disordered succinic acid and solvent)","Iminodicarboxylic acid trans-4-aminocyclohexyl mutilin-14 ester (salt)","","- C32 H50 N2 O10 -","- C28 H44 N2 O6 -","- C112 H176 N8 O24 -","4","1","","Clawson, Jacalyn S.; Vogt, Frederick G.; Brum, Jeffrey; Sisko, Joseph; Patience, Daniel B.; Dai, Wenning; Sharpe, Sonja; Jones, Alan D.; Pham, Tran N.; Johnson, Matthew N.; Copley, Royston C. P.","Formation and Characterization of Crystals Containing a Pleuromutilin Derivative, Succinic Acid and Water","Crystal Growth & Design","2008","8","11","4120","","10.1021/cg8005713","","","0.71073","MoKα","","0.069","0.0607","","","0.166","0.171","","","","","","1.07","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503832","9.8825","0.0012","12.5062","0.0015","16.227","0.0019","90","","100.447","0.002","90","","1972.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1.5 Complex of pluoroglucinol and phenazine","1:1.5 complex of pluoroglucinol and phenazine","","- C24 H18 N3 O3 -","- C24 H18 N3 O3 -","- C96 H72 N12 O12 -","4","1","","Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini","The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals","Crystal Growth & Design","2008","8","12","4546","","10.1021/cg800585d","","","0.71073","MoKα","","0.087","0.0467","","","0.1007","0.116","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503833","7.3484","0.0009","9.2233","0.0011","18.743","0.002","94.272","0.002","100.101","0.002","94.9","0.002","1240.9","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1:2:1 complex of pluoroglucinol, phenazine and water","1:2:1 complex of pluoroglucinol, phenazine and water","","- C30 H24 N4 O4 -","- C30 H24 N4 O4 -","- C60 H48 N8 O8 -","2","1","","Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini","The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals","Crystal Growth & Design","2008","8","12","4546","","10.1021/cg800585d","","","0.71073","MoKα","","0.1892","0.0701","","","0.1005","0.1335","","","","","","0.956","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503834","12.3666","0.0014","13.714","0.0016","14.006","0.0015","90","","90","","90","","2375.4","0.5","100","2","373","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1:2 complex of pluoroglucinol and acridine","1:2 complex of pluoroglucinol and acridine","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C128 H96 N8 O12 -","4","1","","Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini","The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals","Crystal Growth & Design","2008","8","12","4546","","10.1021/cg800585d","","","0.71073","MoKα","","0.0729","0.0486","","","0.1044","0.1168","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503835","9.4776","0.001","14.1266","0.0015","17.4609","0.0018","70.605","0.002","82.982","0.002","73.717","0.002","2115.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2:3.5 molecular complex of phluoroglucinol and phenazine","","- C54 H40 N7 O6 -","- C54 H40 N7 O6 -","- C108 H80 N14 O12 -","2","1","","Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini","The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals","Crystal Growth & Design","2008","8","12","4546","","10.1021/cg800585d","","","0.71073","MoKα","","0.139","0.0769","","","0.136","0.158","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503836","14.159","0.003","11.943","0.003","14.249","0.003","90","","102.423","0.005","90","","2353.1","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","0.5:1 complex of pluoroglucinol and phenazine","0.5:1 complex of pluoroglucinol and phenazine","","- C15 H11 N2 O1.5 -","- C15 H11 N2 O1.5 -","- C120 H88 N16 O12 -","8","1","","Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini","The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals","Crystal Growth & Design","2008","8","12","4546","","10.1021/cg800585d","","","0.71073","MoKα","","0.1236","0.0636","","","0.1322","0.159","","","","","","1.015","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503837","5.7389","0.0008","9.8139","0.0014","21.22","0.003","90","","92.891","0.002","90","","1193.6","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 N O4 -","- C10 H19 N O4 -","- C40 H76 N4 O16 -","4","1","","Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi","Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines","Crystal Growth & Design","2008","8","11","4144","","10.1021/cg800613d","","","0.71073","MoKα","","0.0412","0.0387","","","0.1071","0.1095","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503838","15.6598","0.0014","9.5603","0.0009","12.3466","0.0011","90","","108.977","0.002","90","","1748","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O4 -","- C15 H29 N O4 -","- C60 H116 N4 O16 -","4","1","","Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi","Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines","Crystal Growth & Design","2008","8","11","4144","","10.1021/cg800613d","","","0.71073","MoKα","","0.0782","0.0675","","","0.1871","0.1971","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503839","5.627","0.0008","33.127","0.005","9.8672","0.0014","90","","96.245","0.002","90","","1828.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C64 H124 N4 O16 -","4","1","","Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi","Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines","Crystal Growth & Design","2008","8","11","4144","","10.1021/cg800613d","","","0.71073","MoKα","","0.0785","0.0625","","","0.1684","0.1835","","","","","","1.116","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503840","5.3876","0.0008","9.1495","0.0013","19.829","0.003","78.674","0.002","87.807","0.002","84.213","0.002","953.4","0.2","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H33 N O4 -","- C17 H33 N O4 -","- C34 H66 N2 O8 -","2","1","","Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi","Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines","Crystal Growth & Design","2008","8","11","4144","","10.1021/cg800613d","","","0.71073","MoKα","","0.0745","0.0651","","","0.1891","0.2026","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503841","5.6191","0.0016","36.825","0.011","9.872","0.003","90","","96.106","0.007","90","","2031.2","1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 N O4 -","- C18 H35 N O4 -","- C72 H140 N4 O16 -","4","1","","Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi","Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines","Crystal Growth & Design","2008","8","11","4144","","10.1021/cg800613d","","","0.71073","MoKα","","0.1806","0.0633","","","0.1305","0.1932","","","","","","0.958","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503842","5.3862","0.0006","9.1442","0.0011","21.55","0.003","96.785","0.002","91.003","0.002","95.777","0.002","1048.1","0.2","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H37 N O4 -","- C19 H37 N O4 -","- C38 H74 N2 O8 -","2","1","","Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi","Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines","Crystal Growth & Design","2008","8","11","4144","","10.1021/cg800613d","","","0.71073","MoKα","","0.0789","0.0669","","","0.1877","0.2012","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503843","5.6014","0.0005","40.221","0.004","9.8697","0.0009","90","","95.972","0.002","90","","2211.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 N O4 -","- C20 H39 N O4 -","- C80 H156 N4 O16 -","4","1","","Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi","Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines","Crystal Growth & Design","2008","8","11","4144","","10.1021/cg800613d","","","0.71073","MoKα","","0.0667","0.0582","","","0.1465","0.152","","","","","","1.108","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503844","5.3854","0.0007","9.141","0.0012","23.383","0.003","92.944","0.002","93.825","0.003","95.689","0.002","1140.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H41 N O4 -","- C21 H41 N O4 -","- C42 H82 N2 O8 -","2","1","","Ballabh, Amar; Adalder, Tapas Kumar; Dastidar, Parthasarathi","Structures and Gelation Properties of a Series of Salts Derived from an Alicyclic Dicarboxylic Acid and n-Alkyl Primary Amines","Crystal Growth & Design","2008","8","11","4144","","10.1021/cg800613d","","","0.71073","MoKα","","0.0826","0.0648","","","0.1775","0.1944","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503845","23.567","0.005","15.899","0.003","17.476","0.004","90","","90","","90","","6548","2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","Cu2(oba)2(dmf)2","","","- C34 H30 Cu2 N2 O12 -","- C34 H30 Cu2 N2 O12 -","- C136 H120 Cu8 N8 O48 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Huang, Hong; Zhang, Jie-Peng; Chen, Xiao-Ming","Microwave-Assisted Solvothermal Synthesis of a Dynamic Porous Metal-Carboxylate Framework","Crystal Growth & Design","2008","8","12","4559","","10.1021/cg800623v","","","0.71073","MoKα","","0.1764","0.0716","","","0.168","0.1784","","","","","","0.998","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503846","17.596","0.007","12.418","0.005","7.181","0.003","90","","90","","90","","1569.1","1.1","293","2","293","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C10 H15 Br Cu N4 O0.5 -","- C10 H14 Br Cu N4 O0.5 -","- C40 H56 Br4 Cu4 N16 O2 -","4","0.5","","Xie, Yi-Ming; Liu, Jiu-Hui; Wu, Xiao-Yuan; Zhao, Zhen-Guo; Zhang, Qi-Sheng; Wang, Fei; Chen, Shan-Ci; Lu, Can-Zhong","New Ferroelectric and Nonlinear Optical Porous Coordination Polymer Constructed from a Rare (CuBr)∞Castellated Chain","Crystal Growth & Design","2008","8","11","3914","","10.1021/cg800624z","","","0.71073","MoKα","","0.0287","0.028","","","0.0741","0.0744","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503847","5.7048","0.0006","9.5728","0.0009","11.6025","0.0013","73.808","0.005","80.12","0.005","78.725","0.005","592.12","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 Ce O7 P2 -","- C8 H11 Ce O7 P2 -","- C16 H22 Ce2 O14 P4 -","2","1","","Shi, Fa-Nian; Trindade, Tito; Rocha, João; Paz, Filipe A. Almeida","Hydro-Ionothermal Synthesis of Lanthanide-Organic Frameworks with 1,4-Phenylenebis(methylene)diphosphonate","Crystal Growth & Design","2008","8","11","3917","","10.1021/cg800639x","","","0.71073","MoKα","","0.0739","0.0729","","","0.1881","0.1887","","","","","","1.238","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503848","5.6753","0.0003","9.528","0.0004","11.5759","0.0005","73.985","0.002","80.573","0.003","79.193","0.002","586.82","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 O7 P2 Pr -","- C8 H11 O7 P2 Pr -","- C16 H22 O14 P4 Pr2 -","2","1","","Shi, Fa-Nian; Trindade, Tito; Rocha, João; Paz, Filipe A. Almeida","Hydro-Ionothermal Synthesis of Lanthanide-Organic Frameworks with 1,4-Phenylenebis(methylene)diphosphonate","Crystal Growth & Design","2008","8","11","3917","","10.1021/cg800639x","","","0.71073","MoKα","","0.0519","0.0487","","","0.1299","0.131","","","","","","1.225","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503849","8.5172","0.0005","7.7403","0.0004","9.143","0.0005","90","","115.98","0.002","90","","541.85","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O6 P2 -","- C8 H12 O6 P2 -","- C16 H24 O12 P4 -","2","0.5","","Shi, Fa-Nian; Trindade, Tito; Rocha, João; Paz, Filipe A. Almeida","Hydro-Ionothermal Synthesis of Lanthanide-Organic Frameworks with 1,4-Phenylenebis(methylene)diphosphonate","Crystal Growth & Design","2008","8","11","3917","","10.1021/cg800639x","","","0.71073","MoKα","","0.0258","0.025","","","0.0745","0.0752","","","","","","1.055","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503850","11.4893","0.0016","11.4893","0.0016","12.845","0.003","90","","90","","90","","1695.6","0.5","298","2","298","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C10 H12 Gd2 O16 -","- C10 H12 Gd2 O16 -","- C40 H48 Gd8 O64 -","4","0.25","","Luo, Feng; Long, Gary J.; Che, Yun-xia; Zheng, Ji-min","Ln2(C2O4)(O2CCH2OH)4(Ln = Gd(III), Tb(III)): Unprecedented Interpenetrating 4,6-Connected Net Built on Unusual Rectangular and Distorted Hexagonal Lanthanide Nodes","Crystal Growth & Design","2008","8","10","3511","","10.1021/cg800640u","","x-ray","0.71073","MoKα","","0.0196","0.0159","","","0.0465","0.0483","","","","","","1.164","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503851","11.458","0.0016","11.458","0.0016","12.781","0.003","90","","90","","90","","1678","0.5","294","2","294","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C10 H8 O16 Tb2 -","- C10 H8 O16 Tb2 -","- C40 H32 O64 Tb8 -","4","0.25","","Luo, Feng; Long, Gary J.; Che, Yun-xia; Zheng, Ji-min","Ln2(C2O4)(O2CCH2OH)4(Ln = Gd(III), Tb(III)): Unprecedented Interpenetrating 4,6-Connected Net Built on Unusual Rectangular and Distorted Hexagonal Lanthanide Nodes","Crystal Growth & Design","2008","8","10","3511","","10.1021/cg800640u","","x-ray","0.71073","MoKα","","0.0999","0.0763","","","0.146","0.1569","","","","","","1.228","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503852","13.82","0.02","15.563","0.013","8.985","0.013","90","","90","","90","","1932","4","298","","298","","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C22 H18 F2 N2 O2 -","- C22 H18 F2 N2 O2 -","- C88 H72 F8 N8 O8 -","4","","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0319","0.0294","","","0.1011","0.106","","","","","","0.886","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503853","17.8296","0.0017","7.4296","0.0007","13.5221","0.0013","90","","90","","90","","1791.2","0.3","90","","90","","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C22 H18 F2 N2 O2 -","- C22 H18 F2 N2 O2 -","- C88 H72 F8 N8 O8 -","4","","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0325","0.0308","","","0.0555","0.0558","","","","","","2.39","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503854","8.905","0.005","11.135","0.006","14.695","0.008","68.79","0.007","88.629","0.007","87.128","0.007","1356.7","1.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cl6 F2 N2 O2 -","- C24 H20 Cl6 F2 N2 O2 -","- C48 H40 Cl12 F4 N4 O4 -","2","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.111","0.0955","","","0.2948","0.3052","","","","","","1.101","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503855","28.459","0.003","8.9853","0.001","15.4982","0.0018","90","","90","","90","","3963.1","0.8","90","","90","","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C22.5 H19 Cl F2 N2 O2 -","- C22.5 H19 Cl F2 N2 O2 -","- C180 H152 Cl8 F16 N16 O16 -","8","","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0598","0.0421","","","0.0836","0.0952","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503856","10.8996","0.0016","14.745","0.002","13.823","0.002","90","","97.187","0.002","90","","2204.1","0.5","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H24 F2 N2 O3 -","- C25 H24 F2 N2 O3 -","- C100 H96 F8 N8 O12 -","4","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0454","0.036","","","0.1006","0.1087","","","","","","0.782","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503857","9.038","0.002","10.645","0.003","11.762","0.003","90","","91.078","0.003","90","","1131.4","0.5","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H26 F2 N2 O3 -","- C26 H26 F2 N2 O3 -","- C52 H52 F4 N4 O6 -","2","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0558","0.0423","","","0.063","0.0653","","","","","","1.541","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503858","12.763","0.002","9.1631","0.0015","20.309","0.005","90","","103.286","0.003","90","","2311.5","0.8","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 F2 N2 O4 -","- C26 H26 F2 N2 O4 -","- C104 H104 F8 N8 O16 -","4","0.5","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0772","0.045","","","0.1223","0.1694","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503859","12.804","0.0012","8.9673","0.0008","21.308","0.002","90","","104.445","0.001","90","","2369.2","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F2 N2 O2 -","- C28 H24 F2 N2 O2 -","- C112 H96 F8 N8 O8 -","4","0.5","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0567","0.0385","","","0.0845","0.0923","","","","","","1.026","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503860","15.5849","0.0012","9.0737","0.0007","16.6387","0.0013","90","","104.404","0.001","90","","2279","0.3","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 F2 N2 O5 -","- C25 H24 F2 N2 O5 -","- C100 H96 F8 N8 O20 -","4","0.5","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0478","0.0394","","","0.0997","0.1061","","","","","","1.05","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503861","9.0756","0.0005","9.0756","0.0005","24.3239","0.0017","90","","90","","120","","1735.06","0.18","298.1","","","","","","","","","","","5","P 31","P 31","144","","","","- C26 H26 F2 N2 O4 -","- C26 H26 F2 N2 O4 -","- C78 H78 F6 N6 O12 -","3","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","1.54178","CuKα","","0.0545","0.0534","","","0.1479","0.1496","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503862","9.0311","0.0004","9.0311","0.0004","24.502","0.003","90","","90","","120","","1730.7","0.2","150","","150","","","","","","","","","5","P 32","P 32","145","","","","- C26 H26 F2 N2 O4 -","- C26 H26 F2 N2 O4 -","- C78 H78 F6 N6 O12 -","3","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0593","0.046","","","0.1058","0.1152","","","","","","1.053","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503863","8.9987","0.0003","8.9987","0.0003","24.529","0.002","90","","90","","120","","1720.16","0.16","150","","150","","","","","","","","","5","P 32","P 32","145","","","","- C26 H24 F2 N2 O4 -","- C26 H24 F2 N2 O4 -","- C78 H72 F6 N6 O12 -","3","1","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.0447","0.0427","","","0.1153","0.1165","","","","","","1.52","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503864","22.531","0.005","13.65","0.003","23.223","0.005","90","","91.193","0.004","90","","7141","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F2 N2 O2 -","- C29 H19.3333 F2 N2 O2 -","- C348 H232 F24 N24 O24 -","12","1.5","","Kato, Takako; Okamoto, Iwao; Masu, Hyuma; Katagiri, Kosuke; Tominaga, Masahide; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Azumaya, Isao","Polymorphism and Pseudopolymorphism of an Aromatic Amide: Spontaneous Resolution and Crystal-to-Crystal phase Transition","Crystal Growth & Design","2008","8","10","3871","","10.1021/cg800658t","","","0.71073","MoKα","","0.2233","0.0882","","","0.3008","0.3805","","","","","","0.999","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503865","20.89","0.009","18.703","0.008","29.646","0.013","90","","99.368","0.008","90","","11428","9","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 N2 O23 S4 -","- C40 H34 N2 O23.01 S4 -","- C320 H272 N16 O184.08 S32 -","8","1","","Guo, Dong-Sheng; Su, Xin; Liu, Yu","Benzyl Effects of Supramolecular Architectures Constructed byp-Sulfonatocalix[4]arene and Viologen Guests: from Simple 2:1 Complex to Polymeric Capsules","Crystal Growth & Design","2008","8","10","3514","","10.1021/cg800682q","","","0.71073","MoKα","","0.2543","0.1454","","","0.3566","0.4313","","","","","","1.135","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503866","14.074","0.004","14.475","0.004","15.773","0.004","72.909","0.004","65.995","0.004","79.968","0.004","2800.2","1.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54.5 N O26.25 S4 -","- C40 H31 N O26.25 S4 -","- C80 H62 N2 O52.5 S8 -","2","1","","Guo, Dong-Sheng; Su, Xin; Liu, Yu","Benzyl Effects of Supramolecular Architectures Constructed byp-Sulfonatocalix[4]arene and Viologen Guests: from Simple 2:1 Complex to Polymeric Capsules","Crystal Growth & Design","2008","8","10","3514","","10.1021/cg800682q","","","0.71073","MoKα","","0.1666","0.1293","","","0.3732","0.4055","","","","","","1.456","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4503867","13.054","0.003","13.568","0.003","8.713","0.0018","90","","90.184","0.003","90","","1543.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Cu N2 O6 -","- C13 H20 Cu N2 O6 -","- C52 H80 Cu4 N8 O24 -","4","1","","Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","A Three-Dimensional Mixed-Ligand Coordination Polymer Featuring Strongly Antiferromagnetically Coupled Dinuclear Copper Paddlewheels Linked into a 6-Connected Self-Penetrated Network","Crystal Growth & Design","2008","8","10","3518","","10.1021/cg800743a","","","0.71073","MoKα","","0.0678","0.0357","","","0.0679","0.0772","","","","","","1.02","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503868","30.238","0.005","12.8652","0.0012","39.247","0.003","90","","90","","90","","15268","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H81 Cl6 Cu3 N15 O27 -","- C57 H75 Cl6 Cu3 N15 O27 -","- C456 H600 Cl48 Cu24 N120 O216 -","8","1","","Fernández-Fernández, M. del Carmen; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Valencia, Laura","Trinuclear Copper(II) Endomacrocyclic Complex with a New Nonaazamacrocyclic Ligand Showing a Trapped Perchlorate Anion","Crystal Growth & Design","2008","8","11","3924","","10.1021/cg800758d","","","1.54184","CuKα","","0.0764","0.0636","","","0.1662","0.1781","","","","","","0.996","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503869","14.861","0.0007","14.861","0.0007","44.007","0.003","90","","90","","120","","8416.8","0.8","93","2","93","2","","","","","","","","5","P 31","P 31","144","","","","- C6 H2 Br N3 O6 -","- C6 H2 Br N3 O6 -","- C216 H72 Br36 N108 O216 -","36","12","","Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.","Polymorphs of Picryl Bromide","Crystal Growth & Design","2008","8","1","57","","10.1021/cg700727n","","","0.71073","MoKα","","0.0724","0.0387","","","0.0579","0.0636","","","","","","0.887","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503870","14.848","0.0017","14.8614","0.0017","15.3318","0.0017","72.762","0.002","80.35","0.002","60.225","0.002","2803.8","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Br N3 O6 -","- C6 H2 Br N3 O6 -","- C72 H24 Br12 N36 O72 -","12","6","","Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.","Polymorphs of Picryl Bromide","Crystal Growth & Design","2008","8","1","57","","10.1021/cg700727n","","","0.71073","MoKα","","0.0639","0.0397","","","0.0861","0.0942","","","","","","1.031","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503871","14.8812","0.0001","14.8812","0.0001","22.5449","0.0004","90","","90","","120","","4323.69","0.09","294","2","294","2","","","","","","","","5","P 65","P 65","170","","","","- C6 H2 Br N3 O6 -","- C6 H2 Br N3 O6 -","- C108 H36 Br18 N54 O108 -","18","3","","Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.","Polymorphs of Picryl Bromide","Crystal Growth & Design","2008","8","1","57","","10.1021/cg700727n","","","1.54178","CuKα","","0.0394","0.0343","","","0.0886","0.0927","","","","","","1.048","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503872","14.9166","0.0002","14.9424","0.0002","30.3888","0.0003","94.729","0.001","93.754","0.001","119.925","0.001","5805.61","0.14","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Br N3 O6 -","- C6 H2 Br N3 O6 -","- C144 H48 Br24 N72 O144 -","24","12","","Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.","Polymorphs of Picryl Bromide","Crystal Growth & Design","2008","8","1","57","","10.1021/cg700727n","","","1.54178","CuKα","","0.0446","0.0369","","","0.0999","0.1049","","","","","","1.043","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503873","14.9086","0.0001","14.9083","0.0001","22.6784","0.0002","95.245","0.001","90.116","0.001","119.896","0.001","4344.89","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H2 Br N3 O6 -","- C6 H2 Br N3 O6 -","- C108 H36 Br18 N54 O108 -","18","18","","Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.","Polymorphs of Picryl Bromide","Crystal Growth & Design","2008","8","1","57","","10.1021/cg700727n","","","1.54178","CuKα","","0.03","0.0284","","","0.0758","0.0771","","","","","","1.019","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4508942","5.1944","0.0005","12.5448","0.0011","15.0943","0.0013","89.9","0.001","88.263","0.001","83.709","0.001","977.21","0.15","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 Cu N3 O9 -","- C17 H21 Cu N3 O9 -","- C34 H42 Cu2 N6 O18 -","2","1","","Cui, Shuxin; Zhao, Yulong; Zhang, Jingping; Liu, Qun; Zhang, Yan","Bipyridyl Second Ligand Dependent Structural and Magnetic Properties of Cu(II) Complexes with Pyridine-2,6-dicarboxylate and Water Molecule as First Ligand","Crystal Growth & Design","2008","8","10","3803","","10.1021/cg8004536","","","0.71073","MoKα","","0.0602","0.0562","","","0.1469","0.151","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508943","9.825","0.005","10.23","0.005","24.405","0.005","83.03","0.005","79.065","0.005","65.708","0.005","2192.6","1.6","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cu N3 O7 -","- C23 H21 Cu N3 O7 -","- C92 H84 Cu4 N12 O28 -","4","2","","Cui, Shuxin; Zhao, Yulong; Zhang, Jingping; Liu, Qun; Zhang, Yan","Bipyridyl Second Ligand Dependent Structural and Magnetic Properties of Cu(II) Complexes with Pyridine-2,6-dicarboxylate and Water Molecule as First Ligand","Crystal Growth & Design","2008","8","10","3803","","10.1021/cg8004536","","","0.71069","MoKα","","0.0863","0.0453","","","0.0758","0.0895","","","","","","0.855","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4508944","4.949","0.005","11.885","0.005","14.65","0.005","102.161","0.005","91.286","0.005","91.914","0.005","841.5","1","187","2","187","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 Cl Cu N3 O5 -","- C17 H12 Cl Cu N3 O5 -","- C34 H24 Cl2 Cu2 N6 O10 -","2","1","","Cui, Shuxin; Zhao, Yulong; Zhang, Jingping; Liu, Qun; Zhang, Yan","Bipyridyl Second Ligand Dependent Structural and Magnetic Properties of Cu(II) Complexes with Pyridine-2,6-dicarboxylate and Water Molecule as First Ligand","Crystal Growth & Design","2008","8","10","3803","","10.1021/cg8004536","","","0.71069","MoKα","","0.0323","0.03","","","0.0811","0.0825","","","","","","1.099","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4510222","13.7727","0.0006","13.8864","0.0006","14.1519","0.0005","104.383","0.003","101.406","0.003","119.292","0.004","2116.9","0.2","123","2","123","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H90 Au25 S18 -","- C36 H90 Au25 S18 -","- C36 H90 Au25 S18 -","1","0.5","","Dainese, Tiziano; Antonello, Sabrina; Gascón, José A; Pan, Fangfang; Perera, Neranjan V.; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Rissanen, Kari; Maran, Flavio","Au25(SEt)18, a Nearly Naked Thiolate-Protected Au25 Cluster: Structural Analysis by Single Crystal X-ray Crystallography and Electron Nuclear Double Resonance.","ACS nano","2014","8","4","3904","3912","10.1021/nn500805n","","","1.54184","CuKα","","0.0747","0.0608","","","0.1635","0.18","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4511222","21.92","0.04","21.92","0.04","34.55","0.07","90","","90","","90","","16601","5","93.1","","","","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C38 H72 Cs3 Mo12 N O58 P -","- C36 Cs3 Mo12 O58 P -","- C288 Cs24 Mo96 O464 P8 -","8","0.5","","Akutagawa, Tomoyuki; Endo, Daigoro; Kudo, Fumito; Noro, Shin-ichiro; Takeda, Sadamu; Cronin, Leroy; Nakamura, Takayoshi","A Solid-State Supramolecular Rotator Assembled from a Cs-crown Ether Polyoxometalate Hybrid: (Cs+)3([18]crown-6)3(H+)2[PMo12O40]","Crystal Growth & Design","2008","8","3","812","","10.1021/cg060951+","","","0.71075","MoKα","","","0.0475","","","","0.089","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511223","21.8123","0.0012","21.8123","0.0012","34.6801","0.0019","90","","90","","90","","16500","1.6","163.1","","","","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C38 H72 Cs3 Mo12 N O58 P -","- C38 Cs3 Mo12 N O58 P -","- C304 Cs24 Mo96 N8 O464 P8 -","8","0.5","","Akutagawa, Tomoyuki; Endo, Daigoro; Kudo, Fumito; Noro, Shin-ichiro; Takeda, Sadamu; Cronin, Leroy; Nakamura, Takayoshi","A Solid-State Supramolecular Rotator Assembled from a Cs-crown Ether Polyoxometalate Hybrid: (Cs+)3([18]crown-6)3(H+)2[PMo12O40]","Crystal Growth & Design","2008","8","3","812","","10.1021/cg060951+","","","0.71075","MoKα","","","0.0599","","","","0.1702","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511748","16.1305","0.0005","17.9824","0.0005","22.1697","0.0007","92.101","0.002","106.955","0.003","106.132","0.003","5860.3","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H162 Au25 S18 -","- C72 H162 Au25 S18 -","- C144 H324 Au50 S36 -","2","1","","De Nardi, Marco; Antonello, Sabrina; Jiang, De-En; Pan, Fangfang; Rissanen, Kari; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Maran, Flavio","Gold Nanowired: A Linear (Au25)n Polymer from Au25 Molecular Clusters.","ACS nano","2014","8","8","8505","8512","10.1021/nn5031143","","","1.54184","CuKα","","0.0648","0.055","","","0.1462","0.1582","","","","","","1.024","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4513877","10.7239","0.0003","15.3597","0.0003","17.7316","0.0003","90","","90","","90","","2920.68","0.11","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H6 N0 O10 P Zn2 -","- C16 H6 O10 P Zn2 -","- C64 H24 O40 P4 Zn8 -","4","0.5","","Li, Lan; Wang, Xusheng; Liang, Jun; Huang, Yuanbiao; Li, Hongfang; Lin, Zujin; Cao, Rong","Water-Stable Anionic Metal-Organic Framework for Highly Selective Separation of Methane from Natural Gas and Pyrolysis Gas.","ACS applied materials & interfaces","2016","8","15","9777","9781","10.1021/acsami.6b00706","","","1.54184","CuKα","","0.0398","0.0324","","","0.0831","0.0861","","","","","","1.063","","","","has coordinates","182453","2020-10-21","18:00:00",""
"4513964","10.2706","0.0006","10.4147","0.0006","11.7961","0.0012","101.167","0.005","98.645","0.005","119.207","0.003","1035.4","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N12 O18 -","- C40 H32 N12 O18 -","- C40 H32 N12 O18 -","1","0.5","","Kalita, Anamika; Hussain, Sameer; Malik, Akhtar Hussain; Barman, Ujjwol; Goswami, Namami; Iyer, Parameswar Krishnan","Anion-Exchange Induced Strong π-π Interactions in Single Crystalline Naphthalene Diimide for Nitroexplosive Sensing: An Electronic Prototype for Visual on-Site Detection.","ACS applied materials & interfaces","2016","8","38","25326","25336","10.1021/acsami.6b08751","","","0.71073","MoKα","","0.1776","0.0745","","","0.198","0.2414","","","","","","1.118","","","","has coordinates","186880","2020-10-21","18:00:00",""
"4513965","8.0011","0.0006","13.7926","0.001","13.685","0.001","90","","103.864","0.005","90","","1466.22","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 I2 N6 O4 -","- C28 H28 I2 N6 O4 -","- C56 H56 I4 N12 O8 -","2","0.5","","Kalita, Anamika; Hussain, Sameer; Malik, Akhtar Hussain; Barman, Ujjwol; Goswami, Namami; Iyer, Parameswar Krishnan","Anion-Exchange Induced Strong π-π Interactions in Single Crystalline Naphthalene Diimide for Nitroexplosive Sensing: An Electronic Prototype for Visual on-Site Detection.","ACS applied materials & interfaces","2016","8","38","25326","25336","10.1021/acsami.6b08751","","","0.71073","MoKα","","0.1042","0.0398","","","0.0721","0.0789","","","","","","0.883","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513966","22.0484","0.0002","22.0484","0.0002","22.0484","0.0002","90","","90","","90","","10718.4","0.17","100","2","100","2","","","","","","","","7","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C26 H20 Cu4 In N5 O8 S4 -","- C24 H12 Cu4 In N4 O8 S4 -","- C144 H72 Cu24 In6 N24 O48 S24 -","6","0.125","","Han, Yi; Zheng, Hao; Liu, Kang; Wang, Hongli; Huang, Hongliang; Xie, Lin-Hua; Wang, Lei; Li, Jian-Rong","In-Situ Ligand Formation-Driven Preparation of a Heterometallic Metal-Organic Framework for Highly Selective Separation of Light Hydrocarbons and Efficient Mercury Adsorption.","ACS applied materials & interfaces","2016","8","35","23331","23337","10.1021/acsami.6b08397","","","1.54178","CuKα","","0.0639","0.0558","","","0.1463","0.1576","","","","","","0.979","","","","has coordinates","186882","2020-10-21","18:00:00",""
"4513991","48.8272","0.0008","48.8272","0.0008","48.8272","0.0008","90","","90","","90","","116409","3","298","2","298","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Cu-NTTA","","","- C90 H73.5 Cu6 N8 O42.75 -","- C90 H44.9256 Cu6 N8 O42.75 -","- C1440 H718.81 Cu96 N128 O684 -","16","0.0833333","","Guo, Xiangyang; Zhou, Zhen; Chen, Cong; Bai, Junfeng; He, Cheng; Duan, Chunying","New rht-Type Metal-Organic Frameworks Decorated with Acylamide Groups for Efficient Carbon Dioxide Capture and Chemical Fixation from Raw Power Plant Flue Gas.","ACS applied materials & interfaces","2016","8","46","31746","31756","10.1021/acsami.6b13928","","","0.71073","MoKα","","0.1279","0.0781","","","0.2217","0.2319","","","","","","1.058","","","","has coordinates,has disorder","189936","2020-10-21","18:00:00",""
"4513992","13.636","0.003","13.636","0.003","19.467","0.004","90","","90","","90","","3619.7","1.3","100","2","100","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C23.25 H15.5 Cl7.75 Cu N4 O3.25 -","- C23.348 H15.348 Cl7.696 Cu N4 O3.304 -","- C93.392 H61.392 Cl30.784 Cu4 N16 O13.216 -","4","0.5","","Sengupta, Ananya; Datta, Subhadeep; Su, Chenliang; Herng, Tun Seng; Ding, Jun; Vittal, Jagadese J.; Loh, Kian Ping","Tunable Electrical Conductivity and Magnetic Property of the Two Dimensional Metal Organic Framework [Cu(TPyP)Cu2(O2CCH3)4]","ACS Applied Materials & Interfaces","2016","8","25","16154","","10.1021/acsami.6b03073","","","0.71073","MoKα","","0.0967","0.0864","","","0.2353","0.2439","","","","","","0.994","","","","has coordinates,has disorder","189224","2020-10-21","18:00:00",""
"4514018","9.2408","0.0014","12.5092","0.0016","23.734","0.003","90","","90","","90","","2743.5","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 F N2 O5 S -","- C27 H37 F N2 O5 S -","- C108 H148 F4 N8 O20 S4 -","4","1","","Nadon, Jean-François; Rochon, Kristina; Grastilleur, Sébastien; Langlois, Guillaume; Dao, Thi Thanh Hà; Blais, Véronique; Guérin, Brigitte; Gendron, Louis; Dory, Yves L.","Synthesis of Gly-ψ[(Z)CF═CH]-Phe, a Fluoroalkene Dipeptide Isostere, and Its Incorporation into a Leu-enkephalin Peptidomimetic.","ACS chemical neuroscience","2017","8","1","40","49","10.1021/acschemneuro.6b00163","","","1.54178","CuKα","","0.0467","0.0416","","","0.0931","0.098","","","","","","1.178","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514019","28.608","0.004","4.4122","0.0005","10.491","0.0011","90","","90","","90","","1324.2","0.3","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 N4 O -","- C17 H12 N4 O -","- C68 H48 N16 O4 -","4","1","","Cisneros, José A; Robertson, Michael J.; Mercado, Brandon Q.; Jorgensen, William L.","Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules.","ACS medicinal chemistry letters","2017","8","1","124","127","10.1021/acsmedchemlett.6b00451","","","1.54184","CuKα","","0.1207","0.086","","","0.2092","0.2421","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514240","17.9328","0.0003","6.97043","0.00015","20.1733","0.0003","90","","95.8396","0.0016","90","","2508.56","0.08","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H10 Br2 F N S -","- C11 H10 Br2 F N S -","- C88 H80 Br16 F8 N8 S8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure–Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.061","0.0575","","","0.1562","0.1617","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514241","9.35893","0.00017","14.2993","0.0003","17.3085","0.0004","90","","90","","90","","2316.33","0.08","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br2 F N O -","- C11 H10 Br2 F N O -","- C88 H80 Br16 F8 N8 O8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure–Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0531","0.05","","","0.1229","0.1244","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514242","17.9398","0.0002","6.9704","0.00007","20.1721","0.0002","90","","95.826","0.0011","90","","2509.44","0.05","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H10 Br2 F N S -","- C11 H10 Br2 F N S -","- C88 H80 Br16 F8 N8 S8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure–Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0372","0.035","","","0.0911","0.1016","","","","","","1.112","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514243","8.38414","0.00003","9.70644","0.00005","25.42071","0.0001","90","","90","","90","","2068.74","0.015","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 F N2 O3 S -","- C22 H25 F N2 O3 S -","- C88 H100 F4 N8 O12 S4 -","4","1","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure–Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0309","0.0306","","","0.0792","0.0794","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514244","8.2516","0.00004","14.05983","0.00009","17.50889","0.0001","90","","90","","90","","2031.31","0.02","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 F N2 O3 S -","- C22 H25 F N2 O3 S -","- C88 H100 F4 N8 O12 S4 -","4","1","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure–Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0308","0.0299","","","0.0772","0.0781","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514245","9.36317","0.00008","14.3078","0.00011","17.31825","0.00012","90","","90","","90","","2320.06","0.03","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br2 F N O -","- C11 H10 Br2 F N O -","- C88 H80 Br16 F8 N8 O8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure–Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.083","0.0851","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514298","13.1807","0.0013","21.777","0.002","15.5892","0.0017","90","","97.999","0.008","90","","4431.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.67 H38.67 Cl0.67 N1.33 Ni0.67 P0.67 -","- C52 H58 Cl N2 Ni P -","- C208 H232 Cl4 N8 Ni4 P4 -","4","1","","Nazari, S. Hadi; Bourdeau, Jefferson E.; Talley, Michael R.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Michaelis, David J.","Nickel-Catalyzed Suzuki Cross Couplings with Unprotected Allylic Alcohols Enabled by Bidentate N-Heterocyclic Carbene (NHC)/Phosphine Ligands","ACS Catalysis","2017","8","1","86","","10.1021/acscatal.7b03079","","","1.54178","CuKα","","0.1346","0.1167","","","0.2832","0.2925","","","","","","1.869","","","","has coordinates","206114","2020-10-21","18:00:00",""
"4514299","18.468","0.003","5.7696","0.0008","29.486","0.004","90","","91.375","0.002","90","","3140.9","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C144 H144 O16 S16 -","8","1","","Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni","Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes","ACS Catalysis","2017","8","1","144","","10.1021/acscatal.7b03366","","","0.71073","MoKα","","0.0491","0.0374","","","0.0903","0.0999","","","","","","1.002","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514300","19.9655","0.0017","9.2515","0.0008","27.268","0.002","90","","104.314","0.002","90","","4880.3","0.7","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 N O3 S -","- C29 H29 N O3 S -","- C232 H232 N8 O24 S8 -","8","1","","Lanzi, Matteo; Cañeque, Tatiana; Marchiò, Luciano; Maggi, Raimondo; Bigi, Franca; Malacria, Max; Maestri, Giovanni","Alternative Routes to Tricyclic Cyclohexenes with Trinuclear Palladium Complexes","ACS Catalysis","2017","8","1","144","","10.1021/acscatal.7b03366","","","0.71073","MoKα","","0.1005","0.0557","","","0.1409","0.1631","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514301","17.6216","0.0007","14.3906","0.0005","22.3619","0.0009","90","","91.6518","0.0014","90","","5668.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C121 H176 O12 P2 Sc2 -","- C121 H176 O12 P2 Sc2 -","- C242 H352 O24 P4 Sc4 -","2","0.5","","Xu, Pengfei; Xu, Xin","Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes","ACS Catalysis","2017","8","1","198","","10.1021/acscatal.7b02875","","","0.71073","MoKα","","0.0775","0.0505","","","0.1318","0.1567","","","","","","1.042","","","","has coordinates,has disorder","206117","2020-10-21","18:00:00",""
"4514302","13.4046","0.0006","15.1609","0.0007","28.5176","0.0013","90","","103.471","0.002","90","","5636.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 O5 P Sc -","- C60 H86 O5 P Sc -","- C240 H344 O20 P4 Sc4 -","4","1","","Xu, Pengfei; Xu, Xin","Homoleptic Rare-Earth Aryloxide Based Lewis Pairs for Polymerization of Conjugated Polar Alkenes","ACS Catalysis","2017","8","1","198","","10.1021/acscatal.7b02875","","","0.71073","MoKα","","0.0757","0.0485","","","0.1285","0.1546","","","","","","1.054","","","","has coordinates,has disorder","206117","2020-10-21","18:00:00",""
"4514315","9.528","0.003","10.803","0.003","12.452","0.003","94.682","0.005","100.658","0.005","98.889","0.005","1236.4","0.6","93","2","93","2","","","","","","","","5","P 1","P 1","1","(R)-N-(1-(1-benzyl-1H-indol-3-yl)-1-phenylethyl) -4-methylbenzenesulfonamide","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C60 H56 N4 O4 S2 -","2","2","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel–Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.0418","0.0378","","","0.092","0.0933","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514316","15.348","0.007","11.244","0.004","17.721","0.007","90","","102.716","0.009","90","","2983","2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-Ar2-BINSA calcium(II) salt","","","- C60 H48 Ca O10 S2 -","- C60 H48 Ca O10 S2 -","- C120 H96 Ca2 O20 S4 -","2","1","","Hatano, Manabu; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki","Enantioselective Aza-Friedel‒Crafts Reaction of Indoles with Ketimines Catalyzed by Chiral Potassium Binaphthyldisulfonates","ACS Catalysis","2017","8","1","349","","10.1021/acscatal.7b03708","","","0.71075","MoKα","","0.1374","0.0797","","","0.1955","0.216","","","","","","0.872","","","","has coordinates","206118","2020-10-21","18:00:00",""
"4514318","15.5416","0.0005","22.2438","0.0009","23.488","0.0012","90","","90","","90","","8119.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H76 Cl4 O10 Rh2 -","- C92 H76 Cl4 O10 Rh2 -","- C368 H304 Cl16 O40 Rh8 -","4","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C–H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","x-ray","0.71073","MoKα","","0.1316","0.1076","","","0.2028","0.2137","","","","","","1.142","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514319","11.764","0.003","17.436","0.004","26.079","0.007","90","","91.389","0.006","90","","5348","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H114 O11 Rh2 -","- C124 H114 O11 Rh2 -","- C248 H228 O22 Rh4 -","2","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C–H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","","0.71073","MoKα","","0.1395","0.0987","","","0.1964","0.2181","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514320","12.5906","0.0002","22.4298","0.0004","11.671","0.0002","90","","101.86","0.0007","90","","3225.58","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43.6 Ca I2 N6 O6.8 -","- C18 H43.6 Ca I2 N6 O6.8 -","- C72 H174.4 Ca4 I8 N24 O27.2 -","4","1","","Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas","Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","ACS Catalysis","2017","8","1","665","","10.1021/acscatal.7b03367","","","0.71073","MoKα","","0.0285","0.0239","","","0.0554","0.0576","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514321","10.6093","0.0002","7.3183","0.0001","18.0196","0.0003","90","","96.6981","0.0005","90","","1389.53","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Ca I2 N3 O7 -","- C18 H39 Ca I2 N3 O7 -","- C36 H78 Ca2 I4 N6 O14 -","2","0.5","","Longwitz, Lars; Steinbauer, Johannes; Spannenberg, Anke; Werner, Thomas","Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","ACS Catalysis","2017","8","1","665","","10.1021/acscatal.7b03367","","","0.71073","MoKα","","0.0223","0.0196","","","0.0466","0.048","","","","","","1.085","","","","has coordinates,has disorder","206119","2020-10-21","18:00:00",""
"4514324","5.7745","0.0004","15.6042","0.0012","16.0104","0.0012","90","","94.458","0.001","90","","1438.28","0.18","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 F O2 -","- C18 H17 F O2 -","- C72 H68 F4 O8 -","4","2","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0577","0.043","","","0.1075","0.1154","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514325","20.627","0.002","10.6003","0.0011","14.9178","0.0015","90","","90","","90","","3261.8","0.6","190","2","190","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H32 Cl2 F4 Ir2 -","- C40 H32 Cl2 F4 Ir2 -","- C160 H128 Cl8 F16 Ir8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0411","0.0309","","","0.0652","0.069","","","","","","1.06","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514326","18.1462","0.0018","7.5224","0.0007","22.412","0.002","90","","92.604","0.005","90","","3056.1","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0886","0.0461","","","0.0804","0.0917","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514327","6.1963","0.0006","13.8442","0.0013","8.5199","0.0009","90","","101.713","0.005","90","","715.64","0.12","190","2","190","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 F N O2 S -","- C14 H18 F N O2 S -","- C28 H36 F2 N2 O4 S2 -","2","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.0312","0.0279","","","0.0673","0.0691","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514328","5.9526","0.0005","9.1966","0.0007","33.092","0.003","90","","90","","90","","1811.6","0.3","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 F O2 -","- C22 H27 F O2 -","- C88 H108 F4 O8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.049","0.0405","","","0.1024","0.1072","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514336","8.4938","0.001","10.8107","0.001","16.6719","0.0019","104.927","0.003","95.326","0.004","99.344","0.004","1445","0.3","100","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Br N4 O2 -","- C34 H33 Br N4 O2 -","- C68 H66 Br2 N8 O4 -","2","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C–H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0417","0.038","","","0.0968","0.0989","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514337","10.1934","0.0006","10.7135","0.0006","17.2661","0.0011","89.316","0.002","85.141","0.002","82.592","0.002","1863.12","0.19","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O -","- C21 H27 N3 O -","- C84 H108 N12 O4 -","4","2","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C–H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0432","0.0394","","","0.1086","0.1119","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514338","6.2748","0.0005","13.137","0.0011","24.081","0.002","90","","90","","90","","1985","0.3","101","","101.23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C–H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","1.54178","CuKα","","0.026","0.0259","","","0.0658","0.0659","","","","","","1.077","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514339","10.0808","0.0007","9.7488","0.0006","15.9224","0.0012","90","","108.079","0.003","90","","1487.53","0.18","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C–H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0432","0.0395","","","0.1026","0.1064","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514340","10.0431","0.001","9.7828","0.0011","15.4733","0.0011","90","","99.887","0.004","90","","1497.7","0.2","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C–H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0452","0.0406","","","0.1135","0.1176","","","","","","1.038","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514341","9.722","0.002","6.1683","0.0014","19.747","0.004","90","","102.561","0.004","90","","1155.8","0.4","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F N2 O7 Se -","- C25 H21 F N2 O7 Se -","- C50 H42 F2 N4 O14 Se2 -","2","1","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.0347","0.0319","","","0.0691","0.0702","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514342","12.1582","0.0004","19.1469","0.0006","23.6521","0.0008","80.268","0.001","80.837","0.002","84.148","0.002","5341.6","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H39 O4.5 S0.5 Se -","- C27 H39 O4.5 S0.5 Se -","- C216 H312 O36 S4 Se8 -","8","8","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","1.54178","CuKα","","0.0438","0.039","","","0.0944","0.0974","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514343","6.7417","0.0005","22.7327","0.0016","16.9277","0.0011","90","","101.477","0.002","90","","2542.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O4 Se -","- C18 H18 F2 O4 Se -","- C108 H108 F12 O24 Se6 -","6","3","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.026","0.0228","","","0.0457","0.0478","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514344","9.9745","0.0006","14.6282","0.0009","21.2096","0.0013","103.406","0.002","99.818","0.002","90.008","0.002","2963.7","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C31 H50 B N2 P Ru -","- C31 H50 B N2 P Ru -","- C124 H200 B4 N8 P4 Ru4 -","4","2","","Beguerie, Marion; Dinoi, Chiara; del Rosal, Iker; Faradji, Charly; Alcaraz, Gilles; Vendier, Laure; Sabo-Etienne, Sylviane","Mechanistic Studies on the Catalytic Synthesis of BN Heterocycles (1H-2,1-Benzazaboroles) at Ruthenium","ACS Catalysis","2018","8","2","939","","10.1021/acscatal.7b03461","","","0.71073","MoKα","","0.0579","0.0362","","","0.0749","0.0855","","","","","","1.083","","","","has coordinates","206126","2020-10-21","18:00:00",""
"4514345","12.513","0.002","17.266","0.003","12.709","0.002","90","","107.182","0.003","90","","2623.2","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jonnk09","","","- C59 H96 Mn N O4 P2 -","- C59 H96 Mn N O4 P2 -","- C118 H192 Mn2 N2 O8 P4 -","2","0.5","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0878","0.0526","","","0.1155","0.131","","","","","","1.037","","","","has coordinates,has disorder","206120","2020-10-21","18:00:00",""
"4514346","16.074","0.003","19.166","0.004","16.17","0.003","90","","113.805","0.004","90","","4557.8","1.5","100","0.5","100","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","jonnk11","","","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C190 H288 Br4 Cl12 Mn4 N4 O8 P8 -","4","2","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0735","0.0465","","","0.0832","0.0931","","","","","","1.014","","","","has coordinates","206120","2020-10-21","18:00:00",""
"4514350","11.9405","0.0005","12.2853","0.0004","20.3054","0.0006","103.183","0.003","102.56","0.003","98.477","0.003","2769.26","0.18","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 F12 Fe2 N10 O15 S4 -","- C46 H38 F12 Fe2 N10 O15 S4 -","- C92 H76 F24 Fe4 N20 O30 S8 -","2","1","","Kottrup, Konstantin G.; D'Agostini, Silvia; van Langevelde, Phebe H.; Siegler, Maxime A.; Hetterscheid, Dennis G. H.","Catalytic Activity of an Iron-Based Water Oxidation Catalyst: Substrate Effects of Graphitic Electrodes.","ACS catalysis","2018","8","2","1052","1061","10.1021/acscatal.7b03284","","","1.54178","CuKα","","0.0709","0.0541","","","0.1342","0.1404","","","","","","0.921","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514351","20.0688","0.0003","9.57471","0.00012","21.8114","0.0003","90","","113.315","0.0018","90","","3848.9","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","4","","Verrier, Charlie; Alandini, Nurtalya; Pezzetta, Cristofer; Moliterno, Mauro; Buzzetti, Luca; Hepburn, Hamish B.; Vega-Peñaloza, Alberto; Silvi, Mattia; Melchiorre, Paolo","Direct Stereoselective Installation of Alkyl Fragments at the β-Carbon of Enals via Excited Iminium Ion Catalysis","ACS Catalysis","2018","8","2","1062","","10.1021/acscatal.7b03788","","","0.7107","MoKα","","0.0722","0.0503","","","0.1298","0.1462","","","","","","0.99","","","","has coordinates,has disorder","206124","2020-10-21","18:00:00",""
"4514352","11.0218","0.0004","16.5594","0.0006","17.2264","0.0007","76.1184","0.0015","89.3326","0.0015","82.0211","0.0015","3021.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Fe N3 O S4 -","- C31 H27 Fe N3 O S4 -","- C124 H108 Fe4 N12 O4 S16 -","4","2","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0605","0.0414","","","0.1083","0.1215","","","","","","1.016","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514353","10.4477","0.0004","12.8949","0.0005","13.2739","0.0006","64.316","0.001","67.177","0.001","79.099","0.002","1484.95","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Fe N2 O S4 -","- C32 H32 Fe N2 O S4 -","- C64 H64 Fe2 N4 O2 S8 -","2","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.067","0.0442","","","0.1076","0.1191","","","","","","1.05","","","","has coordinates,has disorder","206133","2020-10-21","18:00:00",""
"4514354","28.2857","0.0008","7.9962","0.0002","15.1492","0.0004","90","","90","","90","","3426.42","0.16","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H36 Fe N3 O3 P S4 -","- C33 H36 Fe N3 O3 P S4 -","- C132 H144 Fe4 N12 O12 P4 S16 -","4","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0545","0.0484","","","0.0842","0.0857","","","","","","1.288","","","","has coordinates","206133","2020-10-21","18:00:00",""
"4514356","10.0101","0.0004","19.2905","0.001","14.2617","0.0007","90","","110.537","0.003","90","","2578.9","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H37 Cl4 Cr Li N2 O2 P -","- C18 H37 Cl4 Cr Li N2 O2 P -","- C72 H148 Cl16 Cr4 Li4 N8 O8 P4 -","4","1","","Kwon, Doo-Hyun; Fuller, Jack T.; Kilgore, Uriah J.; Sydora, Orson L.; Bischof, Steven M.; Ess, Daniel H.","Computational Transition-State Design Provides Experimentally Verified Cr(P,N) Catalysts for Control of Ethylene Trimerization and Tetramerization","ACS Catalysis","2018","8","2","1138","","10.1021/acscatal.7b04026","","x-ray","1.54178","CuKα","K-L~3~","0.0941","0.059","","","0.1433","0.1604","","","","","","1.024","","","","has coordinates","206123","2020-10-21","18:00:00",""
"4514357","9.92477","0.00006","18.1707","0.00013","27.0531","0.00016","90","","90","","90","","4878.76","0.05","125","","125","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 Br N2 O -","- C30 H27 Br N2 O -","- C240 H216 Br8 N16 O8 -","8","1","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","1.54187","CuKα","","0.0281","0.0272","","","0.0785","0.0793","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514358","14.476","0.003","17.657","0.004","18.147","0.004","81.051","0.014","77.873","0.012","82.012","0.013","4452.5","1.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27.67 Br N2 O1.33 -","- C30 H27 Br N2 O1.33333 -","- C180 H162 Br6 N12 O8 -","6","3","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","0.71075","MoKα","","0.2852","0.1239","","","0.2958","0.4058","","","","","","0.974","","","","has coordinates","206125","2020-10-21","18:00:00",""
"4514359","11.4354","0.0014","18.923","0.002","18.566","0.002","90","","97.981","0.002","90","","3978.6","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H68 Br4 Cl4 N4 Ni2 -","- C94 H68 Br4 Cl4 N4 Ni2 -","- C188 H136 Br8 Cl8 N8 Ni4 -","2","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0946","0.0473","","","0.1116","0.1371","","","","","","1.016","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4514360","24.752","0.006","10.97","0.003","22.093","0.005","90","","90","","90","","5999","3","173.15","","173.15","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C52 H44 Br2 Cl8 N2 Ni -","- C52 H44 Br2 Cl8 N2 Ni -","- C208 H176 Br8 Cl32 N8 Ni4 -","4","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0543","0.0346","","","0.0809","0.089","","","","","","1.018","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4514361","13.579","0.002","14.443","0.002","18.148","0.003","90","","109.503","0.003","90","","3355","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br2 N2 Ni -","- C38 H36 Br2 N2 Ni -","- C152 H144 Br8 N8 Ni4 -","4","1","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.1393","0.0966","","","0.2194","0.2339","","","","","","1.157","","","","has coordinates,has disorder","206132","2020-10-21","18:00:00",""
"4514363","16.336","0.0013","12.2113","0.001","27.367","0.002","90","","91.146","0.001","90","","5458.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 Fe N2 O3 P2 -","- C23 H47 Fe N2 O3 P2 -","- C184 H376 Fe8 N16 O24 P16 -","8","2","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.0634","0.0492","","","0.1251","0.1337","","","","","","1.066","","","","has coordinates,has disorder","206128","2020-10-21","18:00:00",""
"4514364","19.086","0.004","16.908","0.004","15.109","0.003","90","","113.043","0.004","90","","4486.7","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H39 Fe N O2 P2 -","- C19 H39 Fe N O2 P2 -","- C152 H312 Fe8 N8 O16 P16 -","8","2","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.1104","0.0552","","","0.0898","0.1066","","","","","","1.033","","","","has coordinates,has disorder","206128","2020-10-21","18:00:00",""
"4514365","8.6289","0.0006","29.4056","0.0019","13.2362","0.0011","90","","108.974","0.002","90","","3176","0.4","100","2","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 F6 Fe Li N O8 P2 S2 -","- C21 H40 F6 Fe Li N O8 P2 S2 -","- C84 H160 F24 Fe4 Li4 N4 O32 P8 S8 -","4","1","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.066","0.0458","","","0.086","0.0934","","","","","","1.062","","","","has coordinates","206128","2020-10-21","18:00:00",""
"4514366","35.2177","0.0018","35.2177","0.0018","35.2177","0.0018","90","","90","","90","","43680","4","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C78 H94 Ag4 F9 N24 O22 S6 -","- C78 H82.995 Ag4 F9 N24 O21.99 S6 -","- C624 H663.96 Ag32 F72 N192 O175.92 S48 -","8","0.666667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2813","0.0994","","","0.1962","0.2277","","","","","","1.041","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514367","35.191","0.0008","35.191","0.0008","35.191","0.0008","90","","90","","90","","43580.8","1.7","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C150 H164 Ag8 F9 N53 O25 S12 -","- C149.88 H159.78 Ag8 F9 N52.98 O24.99 S12 -","- C599.52 H639.12 Ag32 F36 N211.92 O99.96 S48 -","4","0.333333","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2886","0.0984","","","0.2199","0.2477","","","","","","1.001","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514368","35.835","0.011","35.835","0.011","35.835","0.011","90","","90","","90","","46017","2","230","2","230","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C120 H162 Ag8 F0 N60 O18 S13 -","- C120 H129.96 Ag8 N60 O18.02 S13 -","- C480 H519.84 Ag32 N240 O72.08 S52 -","4","0.166667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2806","0.0985","","","0.2249","0.2409","","","","","","1.072","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514369","6.78","0.0006","10.4553","0.0009","18.9129","0.0016","90","","90","","90","","1340.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-3-((z)-4-Chlorobenzylidene)-7a-methyl-2,3,3a,7a-tetrahydrobenzofuran-5(4H)-one","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Gollapelli, Krishna Kumar; Donikela, Sangeetha; Manjula, Nemali; Chegondi, Rambabu","Rhodium-Catalyzed Highly Regio- and Enantioselective Reductive Cyclization of Alkyne-Tethered Cyclohexadienones","ACS Catalysis","2018","8","2","1440","","10.1021/acscatal.7b04054","","","0.71073","MoKα","","0.0562","0.0549","","","0.1319","0.1326","","","","","","1.254","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514377","9.418","0.0009","10.2752","0.001","18.5554","0.0018","94.536","0.002","92.905","0.002","96.975","0.001","1773.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H38 Ni O P2 -","- C45 H38 Ni O P2 -","- C90 H76 Ni2 O2 P4 -","2","1","","Zhang, Xin; Tutkowski, Brandon; Oliver, Allen; Helquist, Paul; Wiest, Olaf","Mechanistic Study of the Nickel-Catalyzed α,β-Coupling of Saturated Ketones","ACS Catalysis","2018","8","3","1740","","10.1021/acscatal.7b04105","","","0.71073","MoKα","","0.0474","0.0358","","","0.0868","0.0924","","","","","","1.015","","","","has coordinates","227507","2020-10-21","18:00:00",""
"4514380","13.6373","0.0005","15.8546","0.0006","8.1178","0.0002","90","","104.499","0.002","90","","1699.28","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Kuppusamy, Ramajayam; Santhoshkumar, Rajagopal; Boobalan, Ramadoss; Wu, Hsin-Ru; Cheng, Chien-Hong","Synthesis of 1,2-Dihydroquinolines by Co(III)-Catalyzed [3 + 3] Annulation of Anilides with Benzylallenes","ACS Catalysis","2018","8","3","1880","","10.1021/acscatal.7b04087","","","0.71073","MoKα","","0.0514","0.0409","","","0.0984","0.112","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514381","9.027","0.004","10.076","0.003","20.28","0.008","90","","90","","90","","1844.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AGC-247","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0653","0.0365","","","0.0833","0.098","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514382","8.8134","0.0003","9.1977","0.0003","10.6394","0.0004","90","","94.6009","0.0017","90","","859.68","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","AGC236","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0491","0.0372","","","0.0928","0.108","","","","","","1.107","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514383","13.9676","0.0003","23.8405","0.0005","5.5166","0.0001","90","","90","","90","","1837","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","FE01059","","","- C18 H17 Br N2 O5 -","- C18 H17 Br N2 O5 -","- C72 H68 Br4 N8 O20 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0591","0.0341","","","0.0862","0.0955","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514384","9.8164","0.0003","14.358","0.0004","17.0526","0.0004","90","","90.736","0.003","90","","2403.26","0.11","293.06","0.1","293.06","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N2 O3 Rh S -","- C24 H29 N2 O3 Rh S -","- C96 H116 N8 O12 Rh4 S4 -","4","1","","Ran, You; Yang, Yudong; You, Huansha; You, Jingsong","RhCl3-Catalyzed Oxidative C‒H/C‒H Cross-Coupling of (Hetero)aromatic Sulfonamides with (Hetero)arenes","ACS Catalysis","2018","8","3","1796","","10.1021/acscatal.7b04298","","x-ray","1.54184","CuKα","","0.0643","0.0588","","","0.1633","0.1738","","","","","","1.052","","","","has coordinates","227506","2020-10-21","18:00:00",""
"4514387","11.693","0.004","6.314","0.002","15.57","0.005","90","","103.875","0.006","90","","1116","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O -","- C26 H24 Br N O -","- C52 H48 Br2 N2 O2 -","2","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0821","0.0417","","","0.0956","0.1107","","","","","","0.924","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514388","11.7229","0.0007","13.9765","0.0009","13.8227","0.0008","90","","91.721","0.001","90","","2263.8","0.2","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F6 N3 P Pd -","- C23 H22 F6 N3 P Pd -","- C92 H88 F24 N12 P4 Pd4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0364","0.0277","","","0.0643","0.068","","","","","","1.025","","","","has coordinates","227502","2020-10-21","18:00:00",""
"4514394","14.1793","0.0011","34.531","0.003","16.0684","0.0012","90","","113.726","0.001","90","","7202.5","1","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonhy07","M(e2PheBox)Ir(O2CEt)2","","- C24 H33 Ir N2 O6 -","- C24 H33 Ir N2 O6 -","- C288 H396 Ir12 N24 O72 -","12","3","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0831","0.0428","","","0.0828","0.0956","","","","","","1.016","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514395","17.9996","0.0009","11.5553","0.0006","15.0325","0.0008","90","","100.311","0.001","90","","3076.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonhy12","","","- C28 H43 Ir N2 O7 -","- C28 H43 Ir N2 O7 -","- C112 H172 Ir4 N8 O28 -","4","1","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0731","0.041","","","0.0739","0.0849","","","","","","1.022","","","","has coordinates,has disorder","227504","2020-10-21","18:00:00",""
"4514396","10.4412","0.0012","11.3139","0.0013","13.9001","0.0017","75.379","0.002","83.373","0.002","84.494","0.002","1574.4","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonhy10","","","- C34 H39 Ir N2 O7 -","- C34 H39 Ir N2 O7 -","- C68 H78 Ir2 N4 O14 -","2","1","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0881","0.0465","","","0.0677","0.0767","","","","","","1.023","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514397","12.1132","0.0012","39.536","0.004","11.7754","0.0011","90","","94.196","0.0015","90","","5624.2","1","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonhy09","(Me2PheBox)Ir(O2CH=CMe2)(H2O)","","- C28 H39 Ir N2 O7 -","- C28 H39 Ir N2 O7 -","- C224 H312 Ir8 N16 O56 -","8","2","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.1021","0.0531","","","0.0945","0.1102","","","","","","1.026","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514398","20.2301","0.0017","28.431","0.002","43.025","0.003","90","","90","","90","","24746","3","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C87 H190 N3 O38 P Si3 Ti W9 -","- C87 H190 N3 O38 P Si3 Ti W9 -","- C696 H1520 N24 O304 P8 Si24 Ti8 W72 -","8","1","","Zhang, Teng; Mazaud, Louis; Chamoreau, Lise-Marie; Paris, Céline; Proust, Anna; Guillemot, Geoffroy","Unveiling the Active Surface Sites in Heterogeneous Titanium-Based Silicalite Epoxidation Catalysts: Input of Silanol-Functionalized Polyoxotungstates as Soluble Analogues","ACS Catalysis","2018","8","3","2330","","10.1021/acscatal.8b00256","","","0.71073","MoKα","","0.0489","0.0292","","","0.046","0.0506","","","","","","1.064","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4514400","17.4516","0.0009","7.5513","0.0004","15.134","0.0008","90","","107.604","0.006","90","","1900.99","0.18","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C108 H72 O8 -","4","1","","Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.","Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes","ACS Catalysis","2018","8","4","2748","","10.1021/acscatal.8b00397","","x-ray","0.71073","MoKα","","0.2215","0.0834","","","0.1897","0.2728","","","","","","1.0947","","","","has coordinates","301843","2025-08-21","01:58:44",""
"4514401","10.0272","0.0006","23.326","0.0013","22.7595","0.0012","90","","95.922","0.002","90","","5294.9","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H51 Cl3 F6 N3 P3 Ru -","- C61 H51 Cl3 F6 N3 P3 Ru -","- C244 H204 Cl12 F24 N12 P12 Ru4 -","4","1","","Paul, Bhaskar; Shee, Sujan; Panja, Dibyajyoti; Chakrabarti, Kaushik; Kundu, Sabuj","Direct Synthesis of N,N-Dimethylated and β-Methyl N,N-Dimethylated Amines from Nitriles Using Methanol: Experimental and Computational Studies","ACS Catalysis","2018","8","4","2890","","10.1021/acscatal.8b00021","","","0.71073","MoKα","","0.1801","0.0816","","","0.1682","0.211","","","","","","1.0774","","","","has coordinates","227499","2020-10-21","18:00:00",""
"4515178","9.1607","0.0003","16.8571","0.0005","17.2193","0.0005","106.194","0.002","99.701","0.002","96.486","0.002","2480.84","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Cl2 N6 O2 -","- C66 H48 Cl2 N6 O2 -","- C132 H96 Cl4 N12 O4 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.78238","","","0.1083","0.0535","","","0.1153","0.1603","","","","","","1.1","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515179","12.5902","0.0006","15.6843","0.0006","19.3156","0.0008","83.7616","0.0013","74.8828","0.0015","76.0836","0.0016","3569.8","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H78 Cl2 N6 O P2 Pd -","- C86 H78 Cl2 N6 O P2 Pd -","- C172 H156 Cl4 N12 O2 P4 Pd2 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.71075","MoKα","","0.0603","0.0457","","","0.1222","0.135","","","","","","1.068","","","","has coordinates","220281","2020-10-21","18:00:00",""
"4515180","14.5738","0.0004","18.0601","0.0005","18.5802","0.0005","81.0382","0.0008","77.9769","0.0008","89.6204","0.0009","4723","0.2","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H108 Cl2 N6 O2 P4 Pd2 S2 -","- C102 H88 Cl2 N6 O2 P4 Pd2 S2 -","- C204 H176 Cl4 N12 O4 P8 Pd4 S4 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.71075","MoKα","","0.0747","0.0612","","","0.1746","0.1916","","","","","","1.088","","","","has coordinates","220282","2020-10-21","18:00:00",""
"4515181","9.341","0.004","12.431","0.005","16.645","0.007","107.362","0.006","94.593","0.005","102.557","0.005","1778.7","1.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 Cl2 N4 O2 -","- C46 H33 Cl2 N4 O2 -","- C92 H66 Cl4 N8 O4 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.71075","MoKα","","0.0863","0.0604","","","0.1258","0.1478","","","","","","1.053","","","","has coordinates","220283","2020-10-21","18:00:00",""
"4515182","9.1275","0.0003","17.0682","0.0004","17.2015","0.0005","104.902","0.002","98.456","0.002","98.294","0.002","2514.64","0.13","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H48 Cl2 N6 -","- C66 H48 Cl2 N6 -","- C132 H96 Cl4 N12 -","2","1","","Kuriyama, Shogo; Nagata, Yuuya; Suginome, Michinori","Telechelic Helical Poly(quinoxaline-2,3-diyl)s Containing a Structurally Defined, Circularly Polarized Luminescent Terquinoxaline Core: Synthesis by Core-Initiated Bidirectional Living Polymerization","ACS Macro Letters","2019","8","4","479","","10.1021/acsmacrolett.9b00165","","","0.78263","","","0.0703","0.0598","","","0.1467","0.1535","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515183","11.2135","0.0005","21.542","0.0009","9.8888","0.0004","90","","114.207","0.008","90","","2178.7","0.2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","C10H7CONHCH(CH2CH2SEt)C10H7","","- C26 H25 N O S -","- C26 H25 N O S -","- C104 H100 N4 O4 S4 -","4","1","","Ishido, Yuki; Kanbayashi, Naoya; Okamura, Taka-aki; Onitsuka, Kiyotaka","Side-Chain-Driven Dual Structural System of Poly-Arylopeptide: Selective Helical Formation Derived from Aromatic Ring Flips on the Backbone","ACS Macro Letters","2019","8","6","694","","10.1021/acsmacrolett.9b00249","","","0.71075","MoKα","","0.0915","0.0514","","","0.095","0.1079","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515514","11.446","0.0007","11.5967","0.0008","12.3843","0.0009","112.094","0.004","115.7","0.003","93.978","0.004","1318.18","0.17","175","2","175","2","","","","","","","","6","P -1","-P 1","2","shr484fs_LT","","","- C25 H38 B N O6 S -","- C25 H38 B N O6 S -","- C50 H76 B2 N2 O12 S2 -","2","1","","Kim-Lee, Shin-Ho; Alonso, Inés; Mauleón, Pablo; Arrayás, Ramón Gómez; Carretero, Juan C.","Rationalizing the Role of NaOtBu in Copper-Catalyzed Carboboration of Alkynes: Assembly of Allylic All-Carbon Quaternary Stereocenters","ACS Catalysis","2018","8","10","8993","","10.1021/acscatal.8b02123","","","0.71073","MoKα","","0.0644","0.0458","","","0.1085","0.1202","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515515","27.4465","0.0018","6.4873","0.0004","22.0138","0.0015","90","","112.954","0.002","90","","3609.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F N O4 -","- C21 H22 F N O4 -","- C168 H176 F8 N8 O32 -","8","2","","Park, Hojoon; Chekshin, Nikita; Shen, Peng-Xiang; Yu, Jin-Quan","Ligand-Enabled, Palladium-Catalyzed β-C(sp<sup>3</sup>)-H Arylation of Weinreb Amides.","ACS catalysis","2018","8","10","9292","9297","10.1021/acscatal.8b03014","","x-ray","1.54178","CuKα","","0.0414","0.0378","","","0.0987","0.1021","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515516","11.0919","0.0007","18.3376","0.0011","21.9261","0.0013","90","","90","","90","","4459.7","0.5","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Co K N6 O11 -","- C41 H51 Co K N6 O11 -","- C164 H204 Co4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0516","0.0443","","","0.097","0.1007","","","","","","1.085","","","","has coordinates","225672","2020-10-21","18:00:00",""
"4515517","11.7651","0.0007","21.2221","0.0012","16.4682","0.0009","90","","95.468","0.001","90","","4093.1","0.4","137","2","137","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 K Mn N7 O3 -","- C45 H36 K Mn N7 O3 -","- C180 H144 K4 Mn4 N28 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0558","0.0436","","","0.1096","0.1162","","","","","","1.064","","","","has coordinates","225673","2020-10-21","18:00:00",""
"4515518","9.1381","0.0009","12.0237","0.0012","17.8361","0.0019","96.278","0.002","90.36","0.002","111.214","0.002","1813.7","0.3","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H48 N4 -","- C45 H48 N4 -","- C90 H96 N8 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1174","0.0722","","","0.1863","0.2273","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515519","11.527","0.002","13.729","0.003","27.724","0.005","90","","92.471","0.004","90","","4383.4","1.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 K Mn N4 O2 -","- C50 H55 K Mn N4 O2 -","- C200 H220 K4 Mn4 N16 O8 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0786","0.0549","","","0.1321","0.145","","","","","","0.985","","","","has coordinates","225675","2020-10-21","18:00:00",""
"4515520","12.3883","0.0015","18.995","0.002","21.656","0.003","90","","101.457","0.002","90","","4994.5","1.1","137","2","137","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H47.5 F9 K Mn N4.5 O6.5 -","- C53 H47.5 F9 K Mn N4.5 O6.5 -","- C212 H190 F36 K4 Mn4 N18 O26 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1737","0.0917","","","0.1762","0.2119","","","","","","1.028","","","","has coordinates,has disorder","225676","2020-10-21","18:00:00",""
"4515521","19.36","0.003","10.0615","0.0016","29.486","0.004","90","","128.675","0.007","90","","4484","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 F9 N4 O6 -","- C48 H39 F9 N4 O6 -","- C192 H156 F36 N16 O24 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1598","0.0628","","","0.1537","0.196","","","","","","0.949","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515522","13.4244","0.0015","15.4608","0.0017","21.041","0.002","92.203","0.002","93.474","0.001","102.805","0.001","4244.6","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H131 K Mn N4 O7 -","- C88 H131 K Mn N4 O7 -","- C176 H262 K2 Mn2 N8 O14 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1006","0.0823","","","0.2295","0.248","","","","","","1.014","","","","has coordinates,has disorder","225678","2020-10-21","18:00:00",""
"4515523","12.729","0.004","14.584","0.004","16.701","0.005","112.045","0.005","92.891","0.006","99.02","0.005","2817.9","1.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H45 F18 K Mn N4 O3 -","- C54 H45 F18 K Mn N4 O3 -","- C108 H90 F36 K2 Mn2 N8 O6 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1055","0.0749","","","0.2016","0.2235","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515524","12.421","0.003","13.222","0.003","24.754","0.005","89.65","0.004","77.831","0.004","72.506","0.003","3783.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H198 Cl0 K4 Mn4 N20 O19 -","- C148 H198 K4 Mn4 N20 O19 -","- C148 H198 K4 Mn4 N20 O19 -","1","0.5","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0998","0.0714","","","0.1764","0.1953","","","","","","1.027","","","","has coordinates,has disorder","225680","2020-10-21","18:00:00",""
"4515525","11.719","0.01","12.417","0.01","21.77","0.019","91.221","0.012","100.827","0.011","100.424","0.012","3055","4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.75 H86 K Mn N4 O4 -","- C61 H77 K Mn N4 O4 -","- C122 H154 K2 Mn2 N8 O8 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1269","0.0769","","","0.1804","0.2122","","","","","","0.912","","","","has coordinates","225681","2020-10-21","18:00:00",""
"4515526","12.4818","0.0015","21.792","0.003","20.039","0.002","90","","105.708","0.002","90","","5247.1","1.1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H71 K Mn N4 O4 -","- C58 H71 K Mn N4 O4 -","- C232 H284 K4 Mn4 N16 O16 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0444","0.0398","","","0.1028","0.1066","","","","","","1.053","","","","has coordinates","225682","2020-10-21","18:00:00",""
"4515527","18.3717","0.0012","10.8662","0.0007","19.0286","0.0012","90","","94.307","0.001","90","","3788","0.4","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H29 F9 K Mn N6 O5 -","- C32 H29 F9 K Mn N6 O5 -","- C128 H116 F36 K4 Mn4 N24 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.053","0.0516","","","0.1418","0.1438","","","","","","1.045","","","","has coordinates","225684","2020-10-21","18:00:00",""
"4515528","11.1683","0.0017","18.406","0.003","21.83","0.003","90","","90","","90","","4487.5","1.2","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Fe K N6 O11 -","- C41 H51 Fe K N6 O11 -","- C164 H204 Fe4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0355","0.0344","","","0.0904","0.0913","","","","","","1.037","","","","has coordinates","225685","2020-10-21","18:00:00",""
"4515529","11.391","0.0007","20.1796","0.0014","24.488","0.0018","90","","93.742","0.003","90","","5617","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Cl6 K Mn N4 O5 -","- C56 H61 Cl6 K Mn N4 O5 -","- C224 H244 Cl24 K4 Mn4 N16 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0638","0.0403","","","0.0861","0.0981","","","","","","1.022","","","","has coordinates,has disorder","225686","2020-10-21","18:00:00",""
"4515530","10.696","0.003","18.855","0.006","15.813","0.005","90","","101.378","0.005","90","","3126.4","1.7","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Co F9 K N6 O3 -","- C28 H18 Co F9 K N6 O3 -","- C112 H72 Co4 F36 K4 N24 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1054","0.0606","","","0.1398","0.17","","","","","","0.858","","","","has coordinates","225687","2020-10-21","18:00:00",""
"4515531","18.8633","0.0015","21.7465","0.0017","22.5199","0.0018","90","","102.759","0.001","90","","9009.8","1.2","136","2","136","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H118 K2 Mn2 N8 O17 -","- C86 H118 K2 Mn2 N8 O17 -","- C344 H472 K8 Mn8 N32 O68 -","4","0.5","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0764","0.0546","","","0.1354","0.1495","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515532","9.133","0.008","29.15","0.03","16.125","0.014","90","","95.392","0.012","90","","4274","7","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 F9 K N7 Ni O6 -","- C36 H39 F9 K N7 Ni O6 -","- C144 H156 F36 K4 N28 Ni4 O24 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0805","0.0564","","","0.1475","0.1648","","","","","","1.024","","","","has coordinates,has disorder","225689","2020-10-21","18:00:00",""
"4515533","10.661","0.007","18.766","0.012","15.752","0.01","90","","100.699","0.01","90","","3097","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F9 K Mn N6 O3 -","- C28 H18 F9 K Mn N6 O3 -","- C112 H72 F36 K4 Mn4 N24 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0822","0.0668","","","0.1768","0.192","","","","","","1.098","","","","has coordinates,has disorder","225690","2020-10-21","18:00:00",""
"4515534","11.759","0.002","13.541","0.003","26.426","0.005","86.003","0.003","80.023","0.003","73.719","0.002","3977","1.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 K2 Mn2 N11 O9 -","- C78 H105 K2 Mn2 N11 O9 -","- C156 H210 K4 Mn4 N22 O18 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1206","0.1096","","","0.3163","0.3253","","","","","","1.096","","","","has coordinates","225691","2020-10-21","18:00:00",""
"4515535","5.8829","0.0002","8.228","0.0002","25.846","0.0007","90","","96.056","0.001","90","","1244.08","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Liu, Chengwei; Li, Guangchen; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Acyl and Decarbonylative Suzuki Coupling of N-Acetyl Amides: Electronic Tuning of Twisted, Acyclic Amides in Catalytic Carbon–Nitrogen Bond Cleavage","ACS Catalysis","2018","8","10","9131","","10.1021/acscatal.8b02815","","","1.54178","CuKα","","0.0478","0.0462","","","0.1134","0.1146","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515536","12.148","0.0008","10.6001","0.0006","19.4764","0.0012","90","","96.366","0.002","90","","2492.5","0.3","149.94","","149.94","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N2 O4 P -","- C30 H27 N2 O4 P -","- C120 H108 N8 O16 P4 -","4","1","","Meyer, Tjark H.; Oliveira, João C. A.; Sau, Samaresh Chandra; Ang, Nate W. J.; Ackermann, Lutz","Electrooxidative Allene Annulations by Mild Cobalt-Catalyzed C–H Activation","ACS Catalysis","2018","8","10","9140","","10.1021/acscatal.8b03066","","","0.71073","MoKα","","0.0396","0.036","","","0.102","0.1049","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515537","6.1285","0.0001","10.8042","0.0002","30.5592","0.0006","90","","90","","90","","2023.43","0.06","120","2","119.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N O2 -","- C25 H20 Cl N O2 -","- C100 H80 Cl4 N4 O8 -","4","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)–H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","1.54178","CuKα","","0.0267","0.0262","","","0.0661","0.0666","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515538","13.288","","5.6","","14.983","","90","","114.29","","90","","1016.23","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)–H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","0.71073","MoKα","","0.0557","0.0493","","","0.1211","0.1278","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515539","39.254","0.007","39.254","0.007","16.542","0.003","90","","90","","120","","22074","7","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C88 H44 Mo0.96 O32 S1.92 Zr6 -","- C88 H44 Mo0.96 O32 S2.24 Zr6 -","- C264 H132 Mo2.88 O96 S6.72 Zr18 -","3","0.125","","Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T.","Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework","ACS Catalysis","2018","8","10","9848","","10.1021/acscatal.8b02921","","","0.71073","MoKα","","0.1324","0.0817","","","0.2474","0.2833","","","","","","1.081","","","","has coordinates,has disorder","225696","2020-10-21","18:00:00",""
"4515540","39.4657","0.0012","39.4657","0.0012","16.3953","0.0005","90","","90","","120","","22115.1","1.2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 Mo2.24 O36.88 Zr6 -","- C88 H44 Mo2.24 O36.88 Zr6 -","- C264 H132 Mo6.72 O110.64 Zr18 -","3","0.125","","Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T.","Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework","ACS Catalysis","2018","8","10","9848","","10.1021/acscatal.8b02921","","","0.71073","MoKα","","0.1008","0.0763","","","0.2223","0.2365","","","","","","1.072","","","","has coordinates,has disorder","225697","2020-10-21","18:00:00",""
"4515541","9.0462","0.0004","11.8256","0.0005","23.9232","0.0009","90","","90","","90","","2559.23","0.18","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C112 H104 N16 O28 -","4","1","","Wang, Jilan; Li, Yongjia; Sun, Jun; Wang, Hongling; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Enantioselective Addition of Benzylic Carbon to Unsaturated Acyl Azolium for Rapid Synthesis of Pyrrolo[3,2-c]quinolines","ACS Catalysis","2018","8","10","9859","","10.1021/acscatal.8b02651","","","0.71073","MoKα","","0.1373","0.0671","","","0.1144","0.1435","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515542","13.7717","0.0002","11.1518","0.0001","18.9206","0.0002","90","","90","","90","","2905.81","0.06","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Ge N O3 -","- C14 H21 Ge N O3 -","- C112 H168 Ge8 N8 O24 -","8","1","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.0306","0.0288","","","0.0803","0.082","","","","","","1.054","","","","has coordinates","225699","2020-10-21","18:00:00",""
"4515543","14.8342","0.0003","13.3798","0.0003","16.4653","0.0004","90","","96.777","0.002","90","","3245.18","0.13","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl Ge N O3 -","- C14 H20 Cl Ge N O3 -","- C112 H160 Cl8 Ge8 N8 O24 -","8","2","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.05","0.0421","","","0.1081","0.1132","","","","","","1.035","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4515544","8.3369","0.0016","9.3962","0.0018","14.592","0.003","100.111","0.002","103.43","0.003","98.334","0.002","1073.8","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H60 N2 -","- C54 H60 N2 -","- C54 H60 N2 -","1","0.5","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0668","0.0486","","","0.1367","0.1429","","","","","","1.38","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515545","8.8458","0.0013","14.526","0.002","9.5388","0.0014","90","","90","","90","","1225.7","0.3","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H14 F3 N O -","- C12 H14 F3 N O -","- C48 H56 F12 N4 O4 -","4","1","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0282","0.0279","","","0.1136","0.1147","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515546","10.1611","0.0008","10.3192","0.0009","12.2146","0.001","73.14","0.0016","71.609","0.0015","61.296","0.002","1051.13","0.15","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.0873","0.0667","","","0.1643","0.1805","","","","","","1.023","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515547","10.082","0.0006","10.316","0.0007","12.247","0.0008","73.57","0.004","71.546","0.004","61.603","0.004","1049.43","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.156","0.1083","","","0.2803","0.3236","","","","","","1.048","","","","has coordinates,has disorder","225704","2020-10-21","18:00:00",""
"4515548","8.085","0.0004","16.9819","0.0009","10.0705","0.0005","90","","110.13","0.001","90","","1298.2","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0412","0.0338","","","0.0846","0.09","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515549","7.0746","0.0006","19.195","0.002","15.3264","0.0014","90","","100.918","0.003","90","","2043.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl N2 O3 S -","- C23 H19 Cl N2 O3 S -","- C92 H76 Cl4 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.048","0.0357","","","0.0868","0.0934","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515550","33.95","0.005","8.4972","0.0012","7.9321","0.001","90","","90","","90","","2288.3","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H22 N2 O3 S -","- C27 H22 N2 O3 S -","- C108 H88 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0667","0.0427","","","0.0864","0.0975","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515551","12.008","0.002","7.0368","0.0013","30.631","0.006","90","","92.288","0.006","90","","2586.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C104 H96 N8 O20 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.1404","0.0695","","","0.1479","0.1742","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515552","33.457","0.006","7.1395","0.0012","20.377","0.004","90","","103.524","0.005","90","","4732.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N2 O3 S -","- C28 H28 N2 O3 S -","- C224 H224 N16 O24 S8 -","8","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0804","0.0509","","","0.1232","0.1394","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515553","9.5004","0.0003","11.278","0.0004","11.5979","0.0003","104.256","0.002","109.363","0.002","106.026","0.003","1045.71","0.07","296.6","0.5","296.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N3 O2 -","- C24 H22 Cl N3 O2 -","- C48 H44 Cl2 N6 O4 -","2","1","","Liu, Bingxian; Li, Jie; Hu, Panjie; Zhou, Xukai; Bai, Dachang; Li, Xingwei","Divergent Annulative C–C Coupling of Indoles Initiated by Manganese-Catalyzed C–H Activation","ACS Catalysis","2018","8","10","9463","","10.1021/acscatal.8b02560","","x-ray","1.54184","CuKα","","0.0733","0.0704","","","0.1852","0.1897","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515554","9.356","0.0003","10.7541","0.0003","9.6715","0.0003","90","","96.3296","0.0015","90","","967.17","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Huang, Liang-Zhu; Xuan, Zi; Jeon, Hyun Ji; Du, Zhen-Ting; Kim, Ju Hyun; Lee, Sang-gi","Asymmetric Rh(II)/Pd(0) Relay Catalysis: Synthesis of α-Quaternary Chiral β-Lactams through Enantioselective C–H Insertion/Diastereoselective Allylation of Diazoamides","ACS Catalysis","2018","8","8","7340","","10.1021/acscatal.8b01687","","","0.71073","MoKα","","0.0402","0.0352","","","0.0874","0.0914","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515555","19.738","0.004","5.4134","0.0011","11.384","0.002","90","","90","","90","","1216.4","0.4","113.15","","113.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H17 B Cl N O -","- C11 H17 B Cl N O -","- C44 H68 B4 Cl4 N4 O4 -","4","1","","Yang, Ji-Min; Zhao, Yu-Tao; Li, Zi-Qi; Gu, Xue-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Gold-Catalyzed Oxidative Coupling of Terminal Alkynes and Borane Adducts: Efficient Synthesis of α-Boryl Ketones","ACS Catalysis","2018","8","8","7351","","10.1021/acscatal.8b02052","","","0.71073","MoKα","","0.0333","0.0313","","","0.0726","0.0739","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515556","12.7987","0.0002","15.0974","0.0002","25.8586","0.0004","104.39","","95.12","","100","","4720.16","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H42 O6 Ru2 -","- C62 H42 O6 Ru2 -","- C248 H168 O24 Ru8 -","4","2","","Gusev, Dmitry G.; Spasyuk, Denis M.","Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst","ACS Catalysis","2018","8","8","6851","","10.1021/acscatal.8b01153","","","0.6888","synchrotron","","0.0265","0.024","","","0.0777","0.0794","","","","","","1.04","","","","has coordinates","225713","2020-10-21","18:00:00",""
"4515557","15.7952","0.0002","7.4857","0.0001","20.8655","0.0003","90","","100.47","","90","","2426.02","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 O3 Ru -","- C31 H22 O3 Ru -","- C124 H88 O12 Ru4 -","4","1","","Gusev, Dmitry G.; Spasyuk, Denis M.","Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst","ACS Catalysis","2018","8","8","6851","","10.1021/acscatal.8b01153","","","0.65255","synchrotron","","0.0294","0.0286","","","0.0817","0.0831","","","","","","0.952","","","","has coordinates","225713","2020-10-21","18:00:00",""
"4515558","12.6922","0.0005","13.0313","0.0005","16.647","0.0006","76.0639","0.0007","84.1498","0.0007","84.0536","0.0007","2649.46","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H75 Cl3 Fe3 N6 -","- C57 H75 Cl3 Fe3 N6 -","- C114 H150 Cl6 Fe6 N12 -","2","1","","Ferreira, Ricardo B.; Cook, Brian J.; Knight, Brian J.; Catalano, Vincent J.; García-Serres, Ricardo; Murray, Leslie J.","Catalytic Silylation of Dinitrogen by a Family of Triiron Complexes.","ACS catalysis","2018","8","8","7208","7212","10.1021/acscatal.8b02021","","","0.71073","MoKα","","0.1038","0.057","","","0.1025","0.113","","","","","","1.002","","","","has coordinates","225714","2020-10-21","18:00:00",""
"4515559","13.4325","0.0003","11.7346","0.0003","13.7646","0.0003","90","","92.32","0.001","90","","2167.87","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Mn N5 O4 -","- C21 H18 Mn N5 O4 -","- C84 H72 Mn4 N20 O16 -","4","1","","Liu, Tingting; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun","Manganese-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols under Phosphine-Free Conditions","ACS Catalysis","2018","8","8","7201","","10.1021/acscatal.8b01960","","","0.71073","MoKα","","0.0404","0.0337","","","0.0861","0.0911","","","","","","1.075","","","","has coordinates","225715","2020-10-21","18:00:00",""
"4515560","17.2156","0.0005","7.3295","0.0002","13.8834","0.0004","90","","90.807","0.002","90","","1751.66","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DF1104 - 18MCD006","","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C84 H104 N8 O4 -","4","1","","Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando","Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course","ACS Catalysis","2018","8","8","7397","","10.1021/acscatal.8b02139","","","0.71073","MoKα","","0.0659","0.0435","","","0.1042","0.1173","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515561","12.2561","0.0009","9.8925","0.0007","15.8384","0.0011","90","","110.254","0.003","90","","1801.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando","Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course","ACS Catalysis","2018","8","8","7397","","10.1021/acscatal.8b02139","","","0.71073","MoKα","","0.0733","0.047","","","0.1123","0.1271","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515562","12.411","0.002","12.765","0.003","21.416","0.004","90","","95.043","0.003","90","","3379.7","1.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Cu N3 -","- C37 H46 Cu N3 -","- C148 H184 Cu4 N12 -","4","1","","Nakamura, Kimiaki; Hara, Reina; Sunada, Yusuke; Nishikata, Takashi","Radical-Organometallic Hybrid Reaction System Enabling Couplings between Tertiary-Alkyl Groups and 1-Alkenyl Groups","ACS Catalysis","2018","8","8","6791","","10.1021/acscatal.8b01572","","","0.71075","MoKα","","0.0504","0.0446","","","0.0996","0.1029","","","","","","1.084","","","","has coordinates","225718","2020-10-21","18:00:00",""
"4515563","17.7588","0.0004","13.939","0.0003","20.7682","0.0004","90","","90","","90","","5140.96","0.19","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cu N4 O7 S2 -","- C26 H24 Cu N4 O7 S2 -","- C208 H192 Cu8 N32 O56 S16 -","8","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan–Evans–Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0352","0.0331","","","0.0883","0.0899","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515564","7.9814","0.0003","11.0894","0.0004","11.102","0.0004","96.461","0.001","100.176","0.001","110.007","0.001","892.77","0.06","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 Cu F3 N2 O7 S2 -","- C14 H13 Cu F3 N2 O7 S2 -","- C28 H26 Cu2 F6 N4 O14 S4 -","2","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan–Evans–Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0366","0.0365","","","0.094","0.0941","","","","","","1.175","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515565","11.7373","0.0019","4.431","0.0007","21.078","0.003","90","","90","","90","","1096.2","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0724","0.0613","","","0.1482","0.1541","","","","","","1.145","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515566","6.6399","0.0003","17.0733","0.001","19.2759","0.0012","90","","90","","90","","2185.2","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0959","0.0563","","","0.1348","0.1597","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515567","14.435","0.0008","5.4011","0.0003","16.2501","0.0009","90","","104.851","0.0019","90","","1224.62","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0714","0.0488","","","0.124","0.1423","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515568","9.1834","0.0003","5.2643","0.0002","13.7823","0.0004","90","","107.711","0.0011","90","","634.72","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0669","0.0593","","","0.1456","0.1541","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515569","10.5305","0.0019","11.181","0.002","20.761","0.004","101.915","0.006","91.944","0.006","94.462","0.006","2381.4","0.8","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H70 Ce N7 O8 -","- C42 H70 Ce N7 O8 -","- C84 H140 Ce2 N14 O16 -","2","1","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0267","0.0243","","","0.0583","0.0589","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515570","11.5006","0.0006","17.4646","0.0008","20.0865","0.0009","67.599","0.003","80.635","0.004","78.648","0.004","3639.9","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 Ce N6 O8 -","- C32 H51 Ce N6 O8 -","- C128 H204 Ce4 N24 O32 -","4","2","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0233","0.0188","","","0.045","0.0464","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515571","22.935","0.003","19.6202","0.0017","13.5095","0.0014","90","","114.142","0.002","90","","5547.4","1","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H66 Ce2 N11 O17 -","- C49 H66 Ce2 N11 O17 -","- C196 H264 Ce8 N44 O68 -","4","0.5","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0319","0.026","","","0.0656","0.0676","","","","","","1.034","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515572","15.263","0.003","27.226","0.004","17.096","0.003","90","","96.089","0.004","90","","7064","2","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H174 Ce4 N21 O32 -","- C124 H174 Ce4 N21 O32 -","- C248 H348 Ce8 N42 O64 -","2","0.25","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0999","0.0759","","","0.1652","0.1712","","","","","","1.233","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515573","27.711","0.003","19.4594","0.0018","15.5984","0.0017","90","","122.044","0.0016","90","","7129.7","1.3","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H102 Ce2 N8 O11 -","- C68 H102 Ce2 N8 O11 -","- C272 H408 Ce8 N32 O44 -","4","0.5","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0567","0.0356","","","0.0812","0.0875","","","","","","1.03","","","","has coordinates,has disorder","225724","2020-10-21","18:00:00",""
"4515574","13.746","0.004","11.435","0.003","18.615","0.006","90","","110.457","0.006","90","","2741.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KU_02_22_17","","","- C34 H30 N2 O4 -","- C34 H30 N2 O4 -","- C136 H120 N8 O16 -","4","1","","Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond","Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation","ACS Catalysis","2018","8","5","4516","","10.1021/acscatal.8b01116","","","0.71073","MoKα","","0.0445","0.0406","","","0.1054","0.1093","","","","","","1.036","","","","has coordinates","225725","2020-10-21","18:00:00",""
"4515575","12.551","0.0007","9.9456","0.0005","17.6307","0.0009","90","","106.171","0.003","90","","2113.72","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KU2_011","","","- C25 H25 N3 O Pd -","- C25 H25 N3 O Pd -","- C100 H100 N12 O4 Pd4 -","4","1","","Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond","Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation","ACS Catalysis","2018","8","5","4516","","10.1021/acscatal.8b01116","","","0.71073","MoKα","","0.0428","0.0353","","","0.0682","0.075","","","","","","1.203","","","","has coordinates","225726","2020-10-21","18:00:00",""
"4515576","5.612","0.0009","7.5305","0.0014","37.033","0.006","90","","90","","90","","1565.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C76 H68 Cl4 O4 -","4","1","","Teng, Huai-Long; Ma, Yuanhong; Zhan, Gu; Nishiura, Masayoshi; Hou, Zhaomin","Asymmetric C(sp)–H Addition of Terminal Alkynes to Cyclopropenes by a Chiral Gadolinium Catalyst","ACS Catalysis","2018","8","5","4705","","10.1021/acscatal.8b01189","","","0.71073","MoKα","","0.0532","0.0491","","","0.1252","0.1301","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515577","13.2573","0.0009","13.3386","0.0008","15.3535","0.001","90","","92.948","0.004","90","","2711.4","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H49 N O3 P2 Ru -","- C21 H49 N O3 P2 Ru -","- C84 H196 N4 O12 P8 Ru4 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.047","0.0376","","","0.0883","0.0927","","","","","","1.057","","","","has coordinates,has disorder","225728","2020-10-21","18:00:00",""
"4515578","15.1793","0.0005","16.5074","0.0008","16.664","0.0006","88.609","0.002","71.881","0.002","62.825","0.001","3496","0.2","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H125 N3 O10 P6 Ru3 -","- C51 H125 N3 O10 P6 Ru3 -","- C102 H250 N6 O20 P12 Ru6 -","2","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0221","0.0198","","","0.0468","0.0481","","","","","","1.036","","","","has coordinates,has disorder","225729","2020-10-21","18:00:00",""
"4515579","14.17","0.0005","15.3918","0.0006","21.741","0.0008","90","","90","","90","","4741.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H41 N O3 P2 Ru -","- C19 H41 N O3 P2 Ru -","- C152 H328 N8 O24 P16 Ru8 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0291","0.0208","","","0.0473","0.0506","","","","","","1.047","","","","has coordinates","225730","2020-10-21","18:00:00",""
"4515580","12.4393","0.0009","11.9755","0.0008","15.9077","0.0011","90","","91.637","0.002","90","","2368.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 Cl2 Mn N P2 -","- C19 H35 Cl2 Mn N P2 -","- C76 H140 Cl8 Mn4 N4 P8 -","4","1","","Brzozowska, Aleksandra; Azofra, Luis Miguel; Zubar, Viktoriia; Atodiresei, Iuliana; Cavallo, Luigi; Rueping, Magnus; El-Sepelgy, Osama","Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-Defined Manganese(II) Complex","ACS Catalysis","2018","8","5","4103","","10.1021/acscatal.8b00983","","","0.71073","MoKα","","0.024","0.0217","","","0.0583","0.06","","","","","","1.01","","","","has coordinates","225731","2020-10-21","18:00:00",""
"4515581","4.8553","0.0004","32.281","0.002","5.6773","0.0004","90","","91.788","0.001","90","","889.39","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Co O5 P -","- C7 H9 Co O5 P -","- C28 H36 Co4 O20 P4 -","4","1","","Cai, Zhong-Sheng; Shi, Yi; Bao, Song-Song; Shen, Yang; Xia, Xing-Hua; Zheng, Li-Min","Bioinspired Engineering of Cobalt-Phosphonate Nanosheets for Robust Hydrogen Evolution Reaction","ACS Catalysis","2018","8","5","3895","","10.1021/acscatal.7b04276","","","0.71073","MoKα","","0.0559","0.0339","","","0.0658","0.0721","","","","","","1.007","","","","has coordinates,has disorder","225732","2020-10-21","18:00:00",""
"4515582","10.1881","0.0007","13.7426","0.0011","20.6392","0.0016","90","","90","","90","","2889.7","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 N3 O2 P2 Re -","- C25 H40 N3 O2 P2 Re -","- C100 H160 N12 O8 P8 Re4 -","4","1","","Glatz, Mathias; Stöger, Berthold; Himmelbauer, Daniel; Veiros, Luis F.; Kirchner, Karl","Chemoselective Hydrogenation of Aldehydes under Mild, Base-Free Conditions: Manganese Outperforms Rhenium.","ACS catalysis","2018","8","5","4009","4016","10.1021/acscatal.8b00153","","x-ray","0.71073","MoKα","","0.0764","0.0484","","","0.0991","0.1115","","","","1.18","1.18","1.11","","","","has coordinates","225733","2020-10-21","18:00:00",""
"4515583","12.047","0.005","17.64","0.007","32.956","0.013","90","","96.116","0.007","90","","6964","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H87 B N3 O2 Y -","- C72 H87 B N3 O2 Y -","- C288 H348 B4 N12 O8 Y4 -","4","1","","Yu, Xiaying; You, Qing; Zhou, Xigeng; Zhang, Lixin","Isoprene Regioblock Copolymerization: Switching the Regioselectivity by the in Situ Ancillary Ligand Transmetalation of Active Yttrium Species","ACS Catalysis","2018","8","5","4465","","10.1021/acscatal.8b00600","","","0.71073","MoKα","","0.1117","0.0676","","","0.1704","0.1913","","","","","","1.017","","","","has coordinates,has disorder","225734","2020-10-21","18:00:00",""
"4515584","7.0996","0.0004","33.5115","0.0018","16.7335","0.0009","90","","90","","90","","3981.2","0.4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.54 N O2.25 -","- C12 H6 In0.545 N O2.26 -","- C96 H48 In4.36 N8 O18.08 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0941","0.0817","","","0.2059","0.2155","","","","","","1.131","","","","has coordinates,has disorder","225735","2020-10-21","18:00:00",""
"4515585","7.125","","33.622","","16.583","","90","","90","","90","","3972.57","","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.75 N O2.73 -","- C12 H6 In0.75 N O2.732 -","- C96 H48 In6 N8 O21.856 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0445","0.0425","","","0.119","0.1202","","","","","","1.088","","","","has coordinates,has disorder","225736","2020-10-21","18:00:00",""
"4515586","7.0725","0.0001","33.2883","0.0006","16.666","0.0003","90","","90","","90","","3923.7","0.11","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C48 H24 In2 N4 Ni O10 -","- C48 H24 In2 N4 Ni O10 -","- C96 H48 In4 N8 Ni2 O20 -","2","0.125","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0453","0.0424","","","0.1285","0.1306","","","","","","1.085","","","","has coordinates","225737","2020-10-21","18:00:00",""
"4515587","18.28107","0.00017","18.28107","0.00017","36.923","0.0005","90","","90","","90","","12339.6","0.2","173","","173","","","","","","","","","7","P 43","P 4cw","78","","","","- C26 H28 F6 Mn N4 O6 S2 -","- C26 H28 F6 Mn N4 O6 S2 -","- C416 H448 F96 Mn16 N64 O96 S32 -","16","4","","Du, Junyi; Miao, Chengxia; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Mechanistic Insights into the Enantioselective Epoxidation of Olefins by Bioinspired Manganese Complexes: Role of Carboxylic Acid and Nature of Active Oxidant","ACS Catalysis","2018","8","5","4528","","10.1021/acscatal.8b00874","","x-ray","1.54184","CuKα","","0.0642","0.0485","","","0.1154","0.1274","","","","","","1.024","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515588","13.414","0.0008","13.786","0.0008","18.1493","0.001","101.69","0.003","106.173","0.002","109.985","0.002","2859.7","0.3","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 B F12 P -","- C28 H24 B F12 P -","- C112 H96 B4 F48 P4 -","4","2","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.0679","0.0474","","","0.1106","0.121","","","","","","1.041","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515589","10.6496","0.0004","15.3406","0.0007","18.042","0.0008","90","","95.278","0.002","90","","2935","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B F12 P -","- C28 H26 B F12 P -","- C112 H104 B4 F48 P4 -","4","1","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.1012","0.0679","","","0.1511","0.17","","","","","","1.031","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515590","11.7104","0.0003","12.4425","0.0003","12.4488","0.0003","71.092","0.001","69.578","0.001","64.329","0.001","1499.65","0.07","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C28 H27 B2 F12 P -","- C28 H27 B2 F12 P -","- C56 H54 B4 F24 P2 -","2","1","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.0927","0.0628","","","0.1901","0.2248","","","","","","1.052","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515591","11.1904","0.0004","12.5885","0.0003","22.6178","0.0006","90","","99.722","0.001","90","","3140.42","0.16","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Co2 N6 -","- C72 H94 Co2 N6 -","- C144 H188 Co4 N12 -","2","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","","0.71073","MoKα","","0.0624","0.0422","","","0.1067","0.1207","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515592","17.0369","0.0005","10.7343","0.0003","17.0418","0.0006","90","","93.483","0.001","90","","3110.83","0.17","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 Co N2 O Si -","- C31 H48 Co N2 O Si -","- C124 H192 Co4 N8 O4 Si4 -","4","1","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","","0.71073","MoKα","","0.0583","0.04","","","0.0954","0.1053","","","","","","1.017","","","","has coordinates,has disorder","225741","2020-10-21","18:00:00",""
"4515593","12.0633","0.0003","12.0633","0.0003","21.8421","0.0007","90","","90","","90","","3178.53","0.15","100","1","100","1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C31 H45 Cl2 Co Li N2 O2 -","- C31 H45 Cl2 Co Li N2 O2 -","- C124 H180 Cl8 Co4 Li4 N8 O8 -","4","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","x-ray","0.71073","MoKα","","0.0346","0.0293","","","0.0702","0.0726","","","","","","1.084","","","","has coordinates","225742","2020-10-21","18:00:00",""
"4515594","8.8505","0.0009","21.914","0.002","19.0059","0.0018","90","","100.646","0.002","90","","3622.7","0.6","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 N3 O Si Zn -","- C39 H49 N3 O Si Zn -","- C156 H196 N12 O4 Si4 Zn4 -","4","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.0636","0.0424","","","0.0969","0.1048","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515595","14.8856","0.0003","21.731","0.0004","16.0804","0.0002","90","","113.482","0.001","90","","4770.9","0.15","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H38.5 N3 Zn -","- C22.5 H38.5 N3 Zn -","- C180 H308 N24 Zn8 -","8","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","synchrotron","","0.0459","0.0376","","","0.0957","0.102","","","","","","1.0408","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515596","23.041","0.006","10.016","0.003","22.532","0.006","90","","117.531","0.004","90","","4611","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N3 O2 Zn -","- C22 H35 N3 O2 Zn -","- C176 H280 N24 O16 Zn8 -","8","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.1221","0.0536","","","0.1284","0.1725","","","","","","0.891","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515597","21.7365","0.0014","14.2049","0.001","20.3579","0.0013","90","","102.81","0.001","90","","6129.4","0.7","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H86 N6 Zn2 -","- C50 H86 N6 Zn2 -","- C200 H344 N24 Zn8 -","4","0.5","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.0581","0.0434","","","0.1203","0.1277","","","","","","1.046","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515598","12.7688","0.0002","13.881","0.0003","17.4955","0.0003","76.808","0.001","73.779","0.001","84.324","0.001","2896.9","0.09","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H93 N6 O4 Zn2 -","- C55 H93 N6 O4 Zn2 -","- C110 H186 N12 O8 Zn4 -","2","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","synchrotron","","0.0479","0.0434","","","0.1143","0.1181","","","","","","1.0462","","","","has coordinates,has disorder","225744","2020-10-21","18:00:00",""
"4515599","16.1366","0.0003","16.5978","0.0003","23.3164","0.0004","98.9","0.001","90.984","0.001","119.052","0.001","5362.53","0.18","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H86 N6 O2 Zn2 -","- C51 H86 N6 O2 Zn2 -","- C204 H344 N24 O8 Zn8 -","4","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","GaKα","","0.0559","0.0496","","","0.132","0.138","","","","","","1.012","","","","has coordinates,has disorder","225744","2020-10-21","18:00:00",""
"4515600","13.4707","0.0011","14.5272","0.0013","16.2991","0.0014","88.145","0.002","89.86","0.001","65.496","0.001","2900.6","0.4","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N4 O4 Zn2 -","- C60 H84 N4 O4 Zn2 -","- C120 H168 N8 O8 Zn4 -","2","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.064","0.0385","","","0.0919","0.1024","","","","","","1.032","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515601","10.82","0.007","12.675","0.007","11.662","0.007","90","","106.559","0.018","90","","1533","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Fe N11 O -","- C10 H12 Fe N11 O -","- C40 H48 Fe4 N44 O4 -","4","1","","Shen, Shou-Jie; Zhu, Cheng-Liang; Lu, Deng-Fu; Xu, Hao","Iron-Catalyzed Direct Olefin Diazidation via Peroxyester Activation Promoted by Nitrogen-Based Ligands.","ACS catalysis","2018","8","5","4473","4482","10.1021/acscatal.8b00821","","","0.71073","MoKα","","0.1335","0.0919","","","0.2621","0.3029","","","","","","0.794","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515602","10.1006","0.0007","18.0014","0.0013","42.163","0.003","90","","90","","90","","7666.3","0.9","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 N4 Ni -","- C44 H54 N4 Ni -","- C352 H432 N32 Ni8 -","8","2","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0689","0.0487","","","0.0911","0.0976","","","","","","1.042","","","","has coordinates","225746","2020-10-21","18:00:00",""
"4515603","26.6781","0.0011","16.5463","0.0007","22.7174","0.0009","90","","90.462","0.002","90","","10027.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H136 Cl3 N9 Ni3 -","- C110 H136 Cl3 N9 Ni3 -","- C440 H544 Cl12 N36 Ni12 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0749","0.0486","","","0.1026","0.1185","","","","","","1.056","","","","has coordinates,has disorder","225747","2020-10-21","18:00:00",""
"4515604","12.855","0.003","21.217","0.004","24.26","0.005","90","","90","","90","","6617","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H80 Cl2 N6 Ni2 -","- C64 H80 Cl2 N6 Ni2 -","- C256 H320 Cl8 N24 Ni8 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.71073","MoKα","","0.0802","0.0475","","","0.0796","0.0867","","","","","","0.952","","","","has coordinates","225748","2020-10-21","18:00:00",""
"4515605","27.4949","0.0015","19.0191","0.0015","16.9558","0.0011","90","","108.589","0.003","90","","8404.1","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl N3 Ni -","- C43 H56 Cl N3 Ni -","- C344 H448 Cl8 N24 Ni8 -","8","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.56086","AgKα","","0.0898","0.073","","","0.2","0.2088","","","","","","1.472","","","","has coordinates,has disorder","225749","2020-10-21","18:00:00",""
"4515606","10.5276","0.0013","10.7464","0.0014","18.567","0.002","90","","90","","90","","2100.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VAL1","","","- C22 H37 Ir N P -","- C22 H37 Ir N P -","- C88 H148 Ir4 N4 P4 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0145","0.0143","","","0.0354","0.0354","","","","","","1.128","","","","has coordinates","225750","2020-10-21","18:00:00",""
"4515607","14.836","0.005","15.464","0.005","15.385","0.005","90","","114.159","0.006","90","","3220.5","1.8","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Ir2 N2 O P2 -","- C29 H48 Ir2 N2 O P2 -","- C116 H192 Ir8 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0431","0.033","","","0.0759","0.08","","","","","","1.107","","","","has coordinates,has disorder","225751","2020-10-21","18:00:00",""
"4515608","13.8587","0.0008","23.8714","0.0012","12.5805","0.0009","90","","115.201","0.008","90","","3765.8","0.5","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 F6 N6 O9 P Ru2 -","- C34 H26 F6 N6 O9 P Ru2 -","- C136 H104 F24 N24 O36 P4 Ru8 -","4","1","","Daniel, Quentin; Duan, Lele; Timmer, Brian J. J.; Chen, Hong; Luo, Xiaodan; Ambre, Ram; Wang, Ying; Zhang, Biaobiao; Zhang, Peili; Wang, Lei; Li, Fusheng; Sun, Junliang; Ahlquist, Mårten; Sun, Licheng","Water Oxidation Initiated by In Situ Dimerization of the Molecular Ru(pdc) Catalyst","ACS Catalysis","2018","8","5","4375","","10.1021/acscatal.7b03768","","x-ray","0.71073","MoKα","","0.0992","0.0607","","","0.1515","0.1669","","","","","","1.066","","","","has coordinates","225752","2020-10-21","18:00:00",""
"4515609","8.6881","0.0005","9.8467","0.0005","11.0731","0.001","94.586","0.006","91.58","0.006","105.361","0.005","909.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Br N O -","- C21 H22 Br N O -","- C42 H44 Br2 N2 O2 -","2","1","","Bai, Dachang; Xu, Teng; Ma, Chaorui; Zheng, Xin; Liu, Bingxian; Xie, Fang; Li, Xingwei","Rh(III)-Catalyzed Mild Coupling of Nitrones and Azomethine Imines with Alkylidenecyclopropanes via C‒H Activation: Facile Access to Bridged Cycles","ACS Catalysis","2018","8","5","4194","","10.1021/acscatal.8b00746","","","0.71073","MoKα","","0.0612","0.04","","","0.0851","0.0938","","","","","","1.033","","","","has coordinates","225753","2020-10-21","18:00:00",""
"4515610","14.4042","0.0014","3.8522","0.0004","14.6641","0.0014","90","","90","","90","","813.68","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0432","0.0378","","","0.0891","0.0916","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515611","10.936","0.0005","6.5014","0.0003","14.9916","0.0008","90","","95.8987","0.0016","90","","1060.25","0.09","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl O4 -","- C25 H25 Cl O4 -","- C50 H50 Cl2 O8 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0559","0.048","","","0.1185","0.1243","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515612","7.2559","0.0013","4.5474","0.0008","13.321","0.002","90","","100.781","0.005","90","","431.77","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H3 Br Cl I O -","- C6 H3 Br Cl I O -","- C12 H6 Br2 Cl2 I2 O2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0721","0.0702","","","0.2329","0.2358","","","","","","1.16","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515613","6.3191","0.0003","15.8114","0.0008","21.7404","0.0011","90","","90","","90","","2172.17","0.19","302","2","302","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C96 H64 Cl16 O16 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0446","0.0389","","","0.1118","0.118","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515614","6.7838","0.0003","16.4432","0.0008","7.2539","0.0003","90","","108.069","0.0011","90","","769.25","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0403","0.0376","","","0.1228","0.1263","","","","","","1.129","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515615","13.6694","0.0002","14.6546","0.0002","21.7416","0.0004","90","","104.277","0.0009","90","","4220.76","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Cl O3 -","- C25 H21 Cl O3 -","- C200 H168 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0634","0.0408","","","0.1016","0.1157","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515616","4.1058","0.0004","17.9301","0.0019","12.4296","0.0015","90","","93.138","0.004","90","","913.66","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br Cl O3 -","- C8 H6 Br Cl O3 -","- C32 H24 Br4 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0752","0.06","","","0.1801","0.1859","","","","","","1.279","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515617","5.6425","0.0005","9.1159","0.0008","11.1839","0.001","106.666","0.002","102.943","0.002","93.95","0.002","531.61","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 O Se -","- C12 H8 F2 O Se -","- C24 H16 F4 O2 Se2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0861","0.0418","","","0.0931","0.1136","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515618","7.7896","0.0003","13.5178","0.0006","15.0171","0.0006","90","","101.499","0.002","90","","1549.54","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C56 H32 Br8 Cl8 O16 -","8","2","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0496","0.033","","","0.0887","0.0983","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515619","9.6791","0.0005","7.1917","0.0003","12.2628","0.0005","90","","107.906","0.001","90","","812.26","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0387","0.036","","","0.1","0.1028","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515620","5.7829","0.0002","20.3532","0.0006","8.3091","0.0003","90","","97.502","0.002","90","","969.61","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl O -","- C12 H9 Cl O -","- C48 H36 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0478","0.04","","","0.1165","0.1248","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515621","19.7094","0.0009","19.7094","0.0009","6.8557","0.0003","90","","90","","90","","2663.2","0.2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 B Cl O3 -","- C12 H16 B Cl O3 -","- C96 H128 B8 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0613","0.0519","","","0.1317","0.1392","","","","","","1.038","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515622","5.2204","0.0012","11.214","0.003","11.717","0.003","90","","90","","90","","685.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C24 H16 Br4 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0641","0.0545","","","0.1707","0.1833","","","","","","1.149","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515623","32.7811","0.0017","3.926","0.0002","21.7084","0.0012","90","","91.5018","0.0016","90","","2792.9","0.3","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cl2 O4 -","- C12 H6 Br2 Cl2 O4 -","- C96 H48 Br16 Cl16 O32 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0649","0.0615","","","0.1967","0.2011","","","","","","1.052","","","","has coordinates","225767","2020-10-21","18:00:00",""
"4515624","12.695","0.0011","13.3351","0.0011","17.1823","0.0015","102.363","0.002","97.011","0.002","92.487","0.002","2812.8","0.4","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H38 B Cl2 F27 Fe N4 O3 S -","- C47 H36 B F27 Fe N4 O3 S -","- C94 H72 B2 F54 Fe2 N8 O6 S2 -","2","1","","Postils, Verònica; Rodríguez, Mònica; Sabenya, Gerard; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Costas, Miquel; Solà, Miquel; Luis, Josep M.","Mechanism of the Selective Fe-Catalyzed Arene Carbon‒Hydrogen Bond Functionalization","ACS Catalysis","2018","8","5","4313","","10.1021/acscatal.7b03935","","","0.71073","MoKα","","0.1055","0.0726","","","0.1656","0.186","","","","","","1.036","","","","has coordinates,has disorder","225768","2020-10-21","18:00:00",""
"4515625","9.0489","0.0015","8.4426","0.0015","15.648","0.003","90","","94.577","0.003","90","","1191.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C52 H72 O8 S2 -","2","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0428","0.039","","","0.0958","0.0988","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515626","8.6633","0.0009","8.4114","0.0009","17.9313","0.0019","90","","99.6888","0.0018","90","","1288","0.2","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O -","- C16 H20 O -","- C64 H80 O4 -","4","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0781","0.0477","","","0.1302","0.1539","","","","","","0.929","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515627","6.3615","0.0003","10.4427","0.0008","15.1313","0.0009","85.229","0.005","87.86","0.004","76.106","0.005","972.24","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O3 S -","- C21 H21 N3 O3 S -","- C42 H42 N6 O6 S2 -","2","1","","Guin, Srimanta; Deb, Arghya; Dolui, Pravas; Chakraborty, Souvik; Singh, Vikas Kumar; Maiti, Debabrata","Promoting Highly Diastereoselective γ-C–H Chalcogenation of α-Amino Acids and Aliphatic Carboxylic Acids","ACS Catalysis","2018","8","4","2664","","10.1021/acscatal.7b04074","","","0.71073","MoKα","","0.0853","0.0736","","","0.2087","0.235","","","","","","1.089","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515628","8.793","0.0007","10.1042","0.0008","16.0484","0.0015","90","","90","","90","","1425.8","0.2","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Biosca, Maria; Margalef, Jèssica; Caldentey, Xisco; Besora, Maria; Rodríguez-Escrich, Carles; Saltó, Joan; Cambeiro, Xacobe C.; Maseras, Feliu; Pàmies, Oscar; Diéguez, Montserrat; Pericàs, Miquel A.","Computationally Guided Design of a Readily Assembled Phosphite–Thioether Ligand for a Broad Range of Pd-Catalyzed Asymmetric Allylic Substitutions","ACS Catalysis","2018","8","4","3587","","10.1021/acscatal.7b04192","","","0.7107","MoKα","","0.0279","0.023","","","0.0604","0.0639","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515629","9.0823","0.0006","10.0446","0.0006","16.7815","0.0011","72.627","0.001","75.846","0.001","89.976","0.001","1412.38","0.16","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C13 H15 B F3 K -","- C13 H15 B F3 K -","- C52 H60 B4 F12 K4 -","4","4","","Gao, De-Wei; Xiao, Yiyang; Liu, Mingyu; Liu, Zhen; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Catalytic, Enantioselective Synthesis of Allenyl Boronates.","ACS catalysis","2018","8","4","3650","3654","10.1021/acscatal.8b00626","","x-ray","0.71073","MoKα","","0.0331","0.0289","","","0.0715","0.0738","","","","","","1.044","","","","has coordinates","225773","2020-10-21","18:00:00",""
"4515630","6.6275","0.0005","8.0167","0.0007","22.6419","0.0019","90","","90","","90","","1202.98","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Brandenberg, Oliver F.; Prier, Christopher K.; Chen, Kai; Knight, Anders M.; Wu, Zachary; Arnold, Frances H.","Stereoselective Enzymatic Synthesis of Heteroatom-Substituted Cyclopropanes","ACS Catalysis","2018","8","4","2629","","10.1021/acscatal.7b04423","","","1.54178","CuKα","","0.0336","0.0334","","","0.0889","0.0892","","","","","","1.154","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515631","10.4784","0.0005","22.1575","0.001","15.6461","0.0007","90","","105.074","0.003","90","","3507.6","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H110 Cl2 Co2 N4 P4 -","- C70 H110 Cl2 Co2 N4 P4 -","- C140 H220 Cl4 Co4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki","Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex","ACS Catalysis","2018","8","4","3011","","10.1021/acscatal.7b04351","","","0.71075","MoKα","","","0.0424","","","","0.1092","","","","","","1.073","","","","has coordinates","225775","2020-10-21","18:00:00",""
"4515632","10.7673","0.0013","29.054","0.004","12.6363","0.0016","90","","117.372","0.003","90","","3510.5","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H110 Co2 N4 P4 -","- C70 H110 Co2 N4 P4 -","- C140 H220 Co4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki","Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex","ACS Catalysis","2018","8","4","3011","","10.1021/acscatal.7b04351","","","0.71075","MoKα","","","0.0857","","","","0.2141","","","","","","1.025","","","","has coordinates","225775","2020-10-21","18:00:00",""
"4515633","9.2161","0.0002","12.7576","0.0003","10.9094","0.0002","90","","95.835","0.002","90","","1276.03","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O3 S -","- C23 H34 N6 O3 S -","- C46 H68 N12 O6 S2 -","2","1","","Nicholls, Rachel L.; McManus, James A.; Rayner, Christopher M.; Morales-Serna, José A.; White, Andrew J. P.; Nguyen, Bao N.","Guanidine-Catalyzed Reductive Amination of Carbon Dioxide with Silanes: Switching between Pathways and Suppressing Catalyst Deactivation","ACS Catalysis","2018","8","4","3678","","10.1021/acscatal.7b04108","","","0.71073","MoKα","","0.048","0.0375","","","0.0821","0.0868","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515634","15.5099","0.0015","7.5217","0.0008","28.568","0.003","90","","99.09","0.008","90","","3290.9","0.6","273","","273","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C184 H128 O16 -","8","1","","Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.","Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes","ACS Catalysis","2018","8","4","2748","","10.1021/acscatal.8b00397","","x-ray","0.71073","MoKα","","0.077","0.0544","","","0.1377","0.1651","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515635","7.5964","0.0003","16.0907","0.0006","12.1098","0.0005","90","","99.736","0.002","90","","1458.88","0.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O -","- C15 H22 Br N O -","- C60 H88 Br4 N4 O4 -","4","2","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0817","0.0374","","","0.0838","0.0963","","","","","","1.011","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515636","10.573","0.003","16.555","0.004","14.695","0.004","90","","104.784","0.003","90","","2487","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C116 H120 O20 -","4","1","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0641","0.0496","","","0.1528","0.1674","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515637","5.923","0.004","16.864","0.009","14.255","0.008","90","","92.357","0.005","90","","1422.7","1.5","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O5 S -","- C13 H16.62 N O5 S -","- C52 H66.48 N4 O20 S4 -","4","1","","Kishi, Kenta; Takizawa, Shinobu; Sasai, Hiroaki","Phosphine-Catalyzed Dual Umpolung Domino Michael Reaction: Facile Synthesis of Hydroindole- and Hydrobenzofuran-2-Carboxylates","ACS Catalysis","2018","8","6","5228","","10.1021/acscatal.8b01011","","","0.71075","MoKα","","0.0542","0.0432","","","0.1108","0.1183","","","","","","1.086","","","","has coordinates,has disorder","225780","2020-10-21","18:00:00",""
"4515638","15.8128","0.0008","13.0267","0.0007","16.0929","0.0008","90","","98.231","0.001","90","","3280.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Mo N3 O -","- C37 H47 Mo N3 O -","- C148 H188 Mo4 N12 O4 -","4","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0238","0.0233","","","0.0601","0.0604","","","","","","1.06","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515639","32.0833","0.0007","33.7453","0.0007","17.8428","0.0004","90","","90","","90","","19317.7","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H60 Mo N5 O -","- C47 H60 Mo N5 O -","- C752 H960 Mo16 N80 O16 -","16","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0302","0.0272","","","0.0612","0.0625","","","","","","1.021","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515640","11.264","0.0002","17.5505","0.0002","23.2268","0.0003","90","","115.23","0.001","90","","4153.65","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Mo N3 Si2 -","- C41 H65 Mo N3 Si2 -","- C164 H260 Mo4 N12 Si8 -","4","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0356","0.0304","","","0.0742","0.0767","","","","","","1.079","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515641","13.8095","0.0006","15.6122","0.0006","19.5369","0.0009","90","","90","","90","","4212.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 Cl6 N P Pd -","- C41 H50 Cl6 N P Pd -","- C164 H200 Cl24 N4 P4 Pd4 -","4","1","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","0.71073","MoKα","","0.0442","0.0387","","","0.0796","0.0827","","","","","","1.03","","","","has coordinates","225782","2020-10-21","18:00:00",""
"4515642","11.39996","0.00016","31.0942","0.0005","19.9369","0.0003","90","","96.7204","0.0015","90","","7018.53","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25.5 H15 Cl5 O3 -","- C25.5 H15 Cl5 O3 -","- C306 H180 Cl60 O36 -","12","6","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","1.54184","CuKα","","0.0603","0.0559","","","0.1435","0.1488","","","","","","1.046","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515643","8.4142","0.0014","14.046","0.002","11.3304","0.0019","90","","104.324","0.003","90","","1297.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl N O5 -","- C29 H34 Cl N O5 -","- C58 H68 Cl2 N2 O10 -","2","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0516","0.0457","","","0.114","0.1191","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515644","12.432","0.0014","11.174","0.0013","14.1728","0.0016","90","","96.117","0.002","90","","1957.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0702","0.0594","","","0.1471","0.1576","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515645","8.3767","0.0009","12.1262","0.0013","39.035","0.004","90","","93.093","0.003","90","","3959.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C168 H216 N8 O40 -","8","2","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.1135","0.064","","","0.1416","0.1648","","","","","","0.995","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515646","9.6879","0.001","9.8487","0.0011","34.927","0.004","90","","90","","90","","3332.5","0.6","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 Br N O Si2 -","- C39 H38 Br N O Si2 -","- C156 H152 Br4 N4 O4 Si8 -","4","1","","Meng, Fei-Fan; Xie, Jia-Hao; Xu, Yun-He; Loh, Teck-Peng","Catalytically Asymmetric Synthesis of 1,3-Bis(silyl)propenes via Copper-Catalyzed Double Proto-Silylations of Polar Enynes","ACS Catalysis","2018","8","6","5306","","10.1021/acscatal.8b00999","","","0.71073","MoKα","","0.0508","0.0421","","","0.0921","0.095","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515647","16.125","0.001","6.8205","0.0004","13.1663","0.0008","90","","96.287","0.002","90","","1439.33","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'(Z)-1-tosyl-2,3,4,7,8,9-hexahydro-1H-azonine'","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.0911","0.0599","","","0.1253","0.143","","","","","","1.178","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515648","19.6621","0.0012","8.3363","0.0005","19.9464","0.0013","90","","112.146","0.002","90","","3028.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.1312","0.0913","","","0.2932","0.3269","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515649","32.802","0.005","8.4124","0.0014","10.9145","0.0015","90","","90","","90","","3011.8","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.2129","0.0894","","","0.1912","0.2245","","","","","","0.996","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515650","7.851","0.002","10.524","0.003","15.813","0.004","90","","98.263","0.009","90","","1293","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.1565","0.0594","","","0.1213","0.1481","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515651","8.589","0.004","5.946","0.002","15.333","0.006","90","","100.966","0.004","90","","768.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 O2 P -","- C16 H25 O2 P -","- C32 H50 O4 P2 -","2","1","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0647","0.0469","","","0.1015","0.1085","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515652","10.2543","0.0006","10.9798","0.0007","13.7645","0.0009","90","","90.59","0.001","90","","1549.67","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O3 P -","- C16 H23 O3 P -","- C64 H92 O12 P4 -","4","2","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0291","0.0277","","","0.0711","0.072","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515653","7.8069","0.0003","7.8369","0.0002","35.3156","0.0011","90","","90","","90","","2160.68","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl F3 O2 S -","- C25 H18 Cl F3 O2 S -","- C100 H72 Cl4 F12 O8 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0549","0.0536","","","0.1259","0.1264","","","","","","1.197","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515654","7.7702","0.0004","7.7862","0.0004","17.9926","0.0008","90","","100.144","0.003","90","","1071.54","0.09","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 F3 O2 S -","- C26 H21 F3 O2 S -","- C52 H42 F6 O4 S2 -","2","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0334","0.0317","","","0.0781","0.0792","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515655","9.3182","0.0004","10.5061","0.0005","24.8751","0.0012","90","","90","","90","","2435.2","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C94.8 H60 Cl8.4 D2.8 F12 O16 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","0.71073","MoKα","","0.1015","0.0694","","","0.1775","0.1966","","","","","","1.048","","","","has coordinates","225793","2020-10-21","18:00:00",""
"4515656","13.218","0.003","8.696","0.002","16.546","0.004","90","","98.483","0.004","90","","1881.1","0.8","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong","Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid","ACS Catalysis","2018","8","6","5193","","10.1021/acscatal.8b01454","","","0.71073","MoKα","","0.1209","0.0528","","","0.1151","0.145","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515657","10.559","0.005","8.848","0.004","20.03","0.009","90","","91.424","0.008","90","","1870.7","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong","Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid","ACS Catalysis","2018","8","6","5193","","10.1021/acscatal.8b01454","","","0.71073","MoKα","","0.0969","0.048","","","0.1207","0.1516","","","","","","0.958","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515658","13.7551","0.0017","18.856","0.002","8.4263","0.0009","90","","90","","90","","2185.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Fe N9 O2 -","- C16 H21 Cl2 Fe N9 O2 -","- C64 H84 Cl8 Fe4 N36 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.094","0.0664","","","0.1503","0.1609","","","","","","1.108","","","","has coordinates","225796","2020-10-21","18:00:00",""
"4515659","7.6537","0.0013","10.3038","0.0017","11.7","0.002","69.471","0.002","74.774","0.002","75.983","0.002","822.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O4 S -","- C15 H19 F3 N2 O4 S -","- C30 H38 F6 N4 O8 S2 -","2","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.0363","0.033","","","0.0847","0.0876","","","","","","1.077","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515660","6.1287","0.0003","17.2349","0.0008","21.6302","0.0011","90","","90","","90","","2284.74","0.19","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl3 F3 N2 O4 S -","- C18 H22 Cl3 F3 N2 O4 S -","- C72 H88 Cl12 F12 N8 O16 S4 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0397","0.0386","","","0.0983","0.0991","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515661","11.8893","0.00018","5.2263","0.00008","24.518","0.0004","90","","96.137","0.0012","90","","1514.75","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F3 N O2 -","- C14 H22 F3 N O2 -","- C56 H88 F12 N4 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.069","0.0419","","","0.094","0.107","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515662","11.579","0.0003","16.9733","0.0005","18.2465","0.0004","90","","90","","90","","3586.05","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F3 N O2 -","- C16 H26 F3 N O2 -","- C128 H208 F24 N8 O16 -","8","2","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0831","0.0515","","","0.1106","0.1265","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515663","14.9198","0.0003","13.8571","0.0003","9.9498","0.0002","90","","95.4351","0.0015","90","","2047.82","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C76 H100 F12 N8 O16 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0931","0.05","","","0.1118","0.1314","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515664","12.0872","0.0008","12.5682","0.0008","17.2255","0.0013","76.7","0.004","74.058","0.004","76.399","0.004","2407","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H39 As Co K2 Mo6 N O39.5 -","- C17 H15 As Co K2 Mo6 N O39.5 -","- C34 H30 As2 Co2 K4 Mo12 N2 O79 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0494","0.04","","","0.1122","0.1199","","","","","","1.065","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515665","11.9612","0.0004","12.5318","0.0003","17.1943","0.0004","76.499","0.001","74.053","0.002","76.535","0.002","2370.12","0.12","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H44 As K2 Mo6 N Ni O42 -","- C17 H15 As K2 Mo6 N Ni O42 -","- C34 H30 As2 K4 Mo12 N2 Ni2 O84 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0514","0.0433","","","0.1129","0.1193","","","","","","1.023","","","","has coordinates,has disorder","225802","2020-10-21","18:00:00",""
"4515666","12.1425","0.0002","12.5739","0.0002","17.2226","0.0003","76.443","0.001","74.062","0.001","76.225","0.001","2415.16","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H40 As K2 Mo6 N O41 Zn -","- C17 H15 As K2 Mo6 N O41 Zn -","- C34 H30 As2 K4 Mo12 N2 O82 Zn2 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.053","0.043","","","0.1191","0.1266","","","","","","1.054","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515667","12.2865","0.0007","12.6065","0.0007","17.2145","0.0011","76.319","0.003","73.933","0.003","76.064","0.003","2445.2","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H39 As K2 Mn Mo6 N O40 -","- C17 H17 As K2 Mn Mo6 N O40 -","- C34 H34 As2 K4 Mn2 Mo12 N2 O80 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0398","0.0362","","","0.1095","0.1125","","","","","","1.07","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515668","16.1055","0.0006","18.5246","0.0007","19.0707","0.0008","75.701","0.002","65.877","0.002","64.845","0.002","4681.8","0.3","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C18 H87 As2 Co0.5 K3 Mo12 N6 Na O77.5 -","- C18 H42 As2 Co0.5 K3 Mo12 N6 Na O77.5 -","- C36 H84 As4 Co K6 Mo24 N12 Na2 O155 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0859","0.0701","","","0.181","0.1943","","","","","","1.056","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515669","12.6575","0.0008","12.671","0.0007","18.5916","0.0009","105.723","0.003","91.318","0.003","106.19","0.003","2740.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H44 As Co0.5 K5 Mo6 O44.5 -","- C21 H15 As Co0.5 K5 Mo6 O44.5 -","- C42 H30 As2 Co K10 Mo12 O89 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0577","0.0485","","","0.1293","0.1356","","","","","","1.07","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515670","11.54858","0.00016","30.1957","0.0004","32.8403","0.0004","64.8392","0.0012","80.3426","0.0011","86.1838","0.0011","10218.4","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H70 N2 Ni O8 -","- C47.5 H70 N2 Ni O8 -","- C380 H560 N16 Ni8 O64 -","8","4","","Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John","Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.","ACS catalysis","2018","8","7","6606","6611","10.1021/acscatal.8b02187","","","1.54184","CuKα","","0.0554","0.0449","","","0.1174","0.1261","","","","","","1.019","","","","has coordinates,has disorder","225803","2020-10-21","18:00:00",""
"4515671","14.0561","0.0003","14.806","0.0004","22.1265","0.0003","93.854","0.002","102.679","0.002","118.29","0.002","3876.59","0.17","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H92 N2 Ni O8.5 -","- C95 H88 N2 Ni O8 -","- C190 H176 N4 Ni2 O16 -","2","1","","Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John","Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.","ACS catalysis","2018","8","7","6606","6611","10.1021/acscatal.8b02187","","","1.54184","CuKα","","0.0453","0.0436","","","0.1121","0.1144","","","","","","1.035","","","","has coordinates,has disorder","225804","2020-10-21","18:00:00",""
"4515672","14.2005","0.0003","10.38306","0.00019","28.0529","0.0005","90","","102.226","0.0019","90","","4042.44","0.14","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C216 H176 N16 O24 -","8","1","","Rej, Supriya; Chatani, Naoto","Rhodium(I)-Catalyzed C8-Alkylation of 1-Naphthylamide Derivatives with Alkenes through a Bidentate Picolinamide Chelation System","ACS Catalysis","2018","8","7","6699","","10.1021/acscatal.8b01675","","","1.54184","CuKα","","0.0398","0.0361","","","0.0941","0.0969","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515673","10.6361","0.001","16.8158","0.0014","19.6467","0.0018","91.7164","0.0011","105.424","0.002","93.774","0.002","3375.9","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 I4 N2 S -","- C27 H36 I4 N2 S -","- C108 H144 I16 N8 S4 -","4","2","","Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki","Thiourea–I2 as Lewis Base–Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I–Cl","ACS Catalysis","2018","8","7","6362","","10.1021/acscatal.8b01565","","","0.71075","MoKα","","0.0376","0.0315","","","0.0787","0.0807","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515674","10.689","0.003","18.743","0.005","16.225","0.004","90","","102.555","0.005","90","","3172.9","1.5","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl I3 N2 S -","- C27 H36 Cl I3 N2 S -","- C108 H144 Cl4 I12 N8 S4 -","4","1","","Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki","Thiourea–I2 as Lewis Base–Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I–Cl","ACS Catalysis","2018","8","7","6362","","10.1021/acscatal.8b01565","","","0.71075","MoKα","","0.1761","0.1261","","","0.3725","0.3947","","","","","","1.266","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515675","12.9176","0.0003","15.173","0.0003","16.7769","0.0003","90","","90","","90","","3288.25","0.12","240","2","240","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H20 O7 -","- C17 H19 O7 -","- C136 H152 O56 -","8","2","","Shu, Wei; Merino, Estíbaliz; Nevado, Cristina","Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes","ACS Catalysis","2018","8","7","6401","","10.1021/acscatal.8b00707","","x-ray","1.54184","CuKα","","0.0545","0.0527","","","0.1579","0.1606","","","","","","1.053","","","","has coordinates,has disorder","225808","2020-10-21","18:00:00",""
"4515676","16.7493","0.0011","17.9477","0.0013","9.7237","0.0007","90","","105.053","0.001","90","","2822.8","0.3","187","2","187","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N2 Sc Si2 -","- C27 H39 N2 Sc Si2 -","- C108 H156 N8 Sc4 Si8 -","4","1","","Li, Shihui; Liu, Dongtao; Wang, Zichuan; Cui, Dongmei","Development of Group 3 Catalysts for Alternating Copolymerization of Ethylene and Styrene Derivatives","ACS Catalysis","2018","8","7","6086","","10.1021/acscatal.8b00885","","","0.71073","MoKα","","0.0851","0.0561","","","0.1227","0.1376","","","","","","1.02","","","","has coordinates","225809","2020-10-21","18:00:00",""
"4515677","11.5304","0.0003","11.8994","0.0003","12.6132","0.0004","107.862","0.003","96.62","0.002","114.133","0.003","1444.35","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H41 N3 O3 -","- C33 H41 N3 O3 -","- C66 H82 N6 O6 -","2","1","","Li, Zhenghua; Song, Liangliang; Van Meervelt, Luc; Tian, Guilong; Van der Eycken, Erik V.","Cationic Gold(I)-Catalyzed Cascade Bicyclizations for Divergent Synthesis of (Spiro)polyheterocycles","ACS Catalysis","2018","8","7","6388","","10.1021/acscatal.8b01789","","x-ray","0.71073","MoKα","","0.0608","0.0502","","","0.1232","0.1302","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515678","9.2626","0.0003","11.273","0.0005","36.0958","0.0014","90","","90","","90","","3769","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MFtBu","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C168 H176 N16 O16 S8 -","8","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.0621","0.0425","","","0.1126","0.1405","","","","","","1.089","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515679","7.3859","0.0004","14.0495","0.0006","19.8207","0.001","90","","95.797","0.002","90","","2046.24","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","TR-82_1DIAST","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.1148","0.0497","","","0.1191","0.164","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515680","6.0252","0.0003","14.9032","0.0008","19.2088","0.0012","90","","93.713","0.006","90","","1721.23","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin","Trifunctionalization of Allenes via Cobalt-Catalyzed MHP-Assisted C–H Bond Functionalization and Molecular Oxygen Activation","ACS Catalysis","2018","8","7","6645","","10.1021/acscatal.8b01720","","x-ray","0.71073","MoKα","","0.0543","0.0446","","","0.1143","0.1252","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515681","15.8675","0.0016","11.3225","0.0013","16.9255","0.0013","90","","116.905","0.003","90","","2711.7","0.5","99.98","","99.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Cl2 -","- C38 H22 Cl2 -","- C152 H88 Cl8 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","x-ray","0.71073","MoKα","","0.0349","0.0327","","","0.0929","0.0953","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515682","16.6618","0.001","12.3936","0.0006","16.076","0.0014","90","","119.312","0.002","90","","2894.7","0.3","100","","99.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cl2 -","- C40 H26 Cl2 -","- C160 H104 Cl8 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0362","0.0343","","","0.0967","0.0983","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515683","13.048","0.0003","15.9745","0.0004","20.3351","0.0005","69.8393","0.0012","74.7061","0.0011","79.3386","0.0011","3817.17","0.16","100","2","100","2","","","","","","","acetonitrile","3","P -1","-P 1","2","","1,3,4-tri(4-tert-butyl-phenyl)-2-methoxy-6-tert-butyl-naphthalene","","- C45 H54 O -","- C45 H54 O -","- C180 H216 O4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","1.54178","Cu-Kα","","0.1128","0.0701","","","0.1753","0.2118","","","","","","1.023","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515684","23.156","0.0008","23.156","0.0008","45.3164","0.0015","90","","90","","90","","24298.7","1.4","100","","99.98","","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C920 H864 Cl16 F288 N48 O64 P16 Sb16 -","8","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.063","0.0538","","","0.1398","0.1455","","","","","","1.088","","","","has coordinates,has disorder","225817","2020-10-21","18:00:00",""
"4515685","24.6931","0.0012","9.8945","0.0005","11.3008","0.0005","90","","107.002","0.001","90","","2640.4","0.2","100","2","100","2","","","","","","","chloroform","2","C 1 2/c 1","-C 2yc","15","","7-(4-methylphenyl)methylene)-fluoreneo[c:c]fluorene- 7-(bis(4-methylphenyl)methylene)","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","1.54178","Cu-Kα","","0.0407","0.0399","","","0.0946","0.0952","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515686","11.625","0.0008","21.7951","0.0018","24.924","0.002","90","","90","","90","","6314.9","0.8","100","","100","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C228 H212 Au4 Cl4 F72 N12 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0684","0.0554","","","0.153","0.1626","","","","","","1.039","","","","has coordinates","225819","2020-10-21","18:00:00",""
"4515687","14.1224","0.0013","14.3201","0.0006","16.3265","0.0014","111.05","0.006","108.05","0.008","90.835","0.005","2900.2","0.4","100","2","100","2","","","","","","","dichloromethane","10","P -1","-P 1","2","","GON-GC-332","","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","1","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0359","0.0301","","","0.1143","0.1211","","","","","","0.97","","","","has coordinates,has disorder","225820","2020-10-21","18:00:00",""
"4515688","14.5593","0.0007","16.985","0.003","18.089","0.003","90","","90","","90","","4473.2","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","8","P 21 21 21","P 2ac 2ab","19","","2-(5,6-dimethoxy-4,4,7,7-tetraphenyl-1,3,2-dioxaphosphepan-2-yl)- 1,3-diisopropyl-1H-imidazol-3-ium hexafluoroantimonate dichloromethane solvate","","- C42 H50 Cl2 F6 N2 O4 P Sb -","- C41.9999 H49.9998 Cl1.9998 F6 N2 O4 P Sb -","- C168 H199.999 Cl7.9992 F24 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0796","0.0597","","","0.1454","0.1608","","","","","","1.037","","","","has coordinates,has disorder","225821","2020-10-21","18:00:00",""
"4515689","11.2724","0.0011","25.712","0.002","22.718","0.002","90","","98.349","0.003","90","","6514.7","1","100","","99.99","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C256 H236 Cl8 F72 N12 O16 P4 Sb4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0964","0.0634","","","0.1463","0.1638","","","","","","1.019","","","","has coordinates,has disorder","225822","2020-10-21","18:00:00",""
"4515690","6.7543","0.0004","9.853","0.0004","31.4363","0.0018","90","","90","","90","","2092.09","0.19","100","","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 Br2 -","- C28 H18 Br2 -","- C112 H72 Br8 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0166","0.0164","","","0.0455","0.0456","","","","","","1.085","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515691","11.5608","0.0006","22.3675","0.0009","14.1582","0.0008","90","","95.008","0.002","90","","3647.1","0.3","100","2","100","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C126 H118 Au2 Cl6 F36 N6 O8 P2 Sb2 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0477","0.0455","","","0.1279","0.1296","","","","","","1.102","","","","has coordinates","225824","2020-10-21","18:00:00",""
"4515692","11.8911","0.0012","20.269","0.002","26.818","0.003","90","","90","","90","","6463.7","1.2","100.02","","100.02","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C56 H48 Au Cl5 F18 N2 O4 P Sb -","- C55.9999 H47.9998 Au Cl4.9998 F18 N2 O4 P Sb -","- C224 H191.999 Au4 Cl19.9992 F72 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0512","0.0439","","","0.1132","0.1173","","","","","","1.035","","","","has coordinates,has disorder","225825","2020-10-21","18:00:00",""
"4515693","17.9011","0.0013","8.3634","0.0004","19.4197","0.001","90","","90.871","0.003","90","","2907.1","0.3","100","","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H25.94 Cl2.06 -","- C40 H25.946 Cl2.054 -","- C160 H103.784 Cl8.216 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0427","0.0365","","","0.1011","0.1056","","","","","","1.036","","","","has coordinates,has disorder","225826","2020-10-21","18:00:00",""
"4515694","8.0652","0.0006","8.3219","0.0012","14.129","0.0018","77.347","0.006","83.454","0.006","80.93","0.006","910.59","0.19","100.04","","100.04","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H25 N3 -","- C21 H25 N3 -","- C42 H50 N6 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","x-ray","0.71073","MoKα","","0.0617","0.0506","","","0.1228","0.1297","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515695","11.8311","0.0015","12.7714","0.0017","12.7734","0.0016","69.209","0.003","81.613","0.003","86.471","0.003","1785","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","2","","Li, Deng-Yuan; Liu, Shuo; Chen, Shuang; Wang, An; Zhu, Xiao-Ping; Liu, Pei-Nian","Dual Role of Aryl Iodide in Cascade C–H Arylation/Amination: Arylation Reagent and Cocatalyst for C–N Formation","ACS Catalysis","2018","8","7","6407","","10.1021/acscatal.8b01071","","","0.71073","MoKα","","0.0803","0.0557","","","0.1463","0.1643","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515696","10.811","0.003","16.451","0.004","11.445","0.003","90","","101.668","0.003","90","","1993.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N O4 Zn -","- C20 H26 N O4 Zn -","- C80 H104 N4 O16 Zn4 -","4","1","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0705","0.049","","","0.1257","0.1355","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515697","10.2938","0.0013","16.839","0.002","17.23","0.002","73.123","0.002","78.321","0.002","87.036","0.002","2798.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H47 Ni O4 P -","- C28 H47 Ni O4 P -","- C112 H188 Ni4 O16 P4 -","4","2","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.053","0.0357","","","0.0843","0.0926","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515698","7.204","0.004","34.935","0.019","11.091","0.006","90","","92.218","0.008","90","","2789","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 B N O2 -","- C13 H22 B N O2 -","- C104 H176 B8 N8 O16 -","8","2","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.1656","0.0976","","","0.2671","0.3043","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515699","7.96","0.002","8.085","0.002","9.656","0.002","108.25","0.003","93.812","0.003","94.208","0.003","585.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N2 Ni O4 -","- C24 H32 N2 Ni O4 -","- C24 H32 N2 Ni O4 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0334","0.0307","","","0.0808","0.0826","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515700","10.001","0.003","10.415","0.003","13.862","0.004","76.659","0.004","77.984","0.004","62.798","0.004","1240.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H41 Ni O4 P -","- C25 H41 Ni O4 P -","- C50 H82 Ni2 O8 P2 -","2","1","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.092","0.0526","","","0.1007","0.1176","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515701","6.3927","0.0015","8.606","0.002","10.965","0.002","86.398","0.004","79.115","0.005","86.957","0.005","590.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F6 N2 Ni O4 -","- C22 H22 F6 N2 Ni O4 -","- C22 H22 F6 N2 Ni O4 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0347","0.0305","","","0.072","0.074","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515702","6.736","0.003","8.129","0.003","11.969","0.005","101.952","0.014","99.095","0.008","99.806","0.009","619","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0273","0.0243","","","0.0614","0.0626","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515703","8.78","0.003","10","0.004","13.272","0.005","101.969","0.005","98.6857","0.0018","103.084","0.005","1086.1","0.7","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O6 Pd -","- C24 H20 N2 O6 Pd -","- C48 H40 N4 O12 Pd2 -","2","1","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","","0.0356","","","","0.1059","","","","","","0.925","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515704","7.939","0.002","16.611","0.004","16.219","0.004","90","","93.262","0.003","90","","2135.4","0.9","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 I N2 O4 Pd -","- C22 H17 I N2 O4 Pd -","- C88 H68 I4 N8 O16 Pd4 -","4","1","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","0.0418","0.0349","","","0.0948","0.1021","","","","","","0.91","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515705","18.828","0.011","8.059","0.005","12.153","0.008","90","","91.24","0.008","90","","1844","2","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C80 H72 O32 -","4","0.5","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","","0.0472","","","","0.1394","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515706","7.258","0.003","18.732","0.007","12.399","0.005","90","","93.746","0.005","90","","1682.1","1.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 -","- C21 H18 Br2 -","- C84 H72 Br8 -","4","1","","Su, Xiang; Chen, Bifeng; Wang, Shaohong; Chen, Hui; Chen, Chao","Atom- and Step-Efficient Construction of Five-Membered Carbocycles with Alkenes and Alkynes Catalyzed by AgSbF6","ACS Catalysis","2018","8","9","7760","","10.1021/acscatal.8b02448","","","0.71073","MoKα","","0.0415","0.0389","","","0.1022","0.1118","","","","","","1.156","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515707","21.4471","0.001","6.4084","0.0003","12.069","0.0005","90","","113.464","0.002","90","","1521.62","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C68 H60 N4 O20 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut–Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.0247","0.0247","","","0.0652","0.0653","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515708","8.8312","0.0004","11.2095","0.0006","16.7904","0.0009","90","","90","","90","","1662.14","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.02","0.0193","","","0.0488","0.0491","","","","","","1.044","","","","has coordinates","225840","2020-10-21","18:00:00",""
"4515709","6.8554","0.0003","18.0992","0.0007","11.1588","0.0004","90","","92.472","0.004","90","","1383.26","0.09","290.04","0.1","290.04","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C68 H48 N8 O16 -","4","1","","Chen, Fei; Lai, Sheng-Qiang; Zhu, Fei-Fei; Meng, Qiang; Jiang, Yu; Yu, Wei; Han, Bing","Cu-Catalyzed Radical Cascade Annulations of Alkyne-Tethered N-Alkoxyamides with Air: Facile Access to Isoxazolidine/1,2-Oxazinane-Fused Isoquinolin-1(2H)-ones","ACS Catalysis","2018","8","9","8925","","10.1021/acscatal.8b02445","","x-ray","1.54184","CuKα","","0.0551","0.0505","","","0.1318","0.1364","","","","","","0.849","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515710","8.6737","0.0003","8.7731","0.0004","13.6686","0.0006","78.458","0.004","75.85","0.003","88.359","0.003","987.94","0.07","295.32","0.11","295.32","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl Ir N O -","- C18 H29 Cl Ir N O -","- C36 H58 Cl2 Ir2 N2 O2 -","2","1","","Tan, Guangying; You, Qiulin; You, Jingsong","Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates","ACS Catalysis","2018","8","9","8709","","10.1021/acscatal.8b02639","","x-ray","1.54184","CuKα","","0.0481","0.0467","","","0.1164","0.1188","","","","","","1.069","","","","has coordinates","225842","2020-10-21","18:00:00",""
"4515711","12.5365","0.0003","14.4554","0.0004","17.4788","0.0004","90","","103.091","0.003","90","","3085.19","0.14","294.05","0.1","294.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O2 S2 -","- C32 H38 N2 O2 S2 -","- C128 H152 N8 O8 S8 -","4","1","","Tan, Guangying; You, Qiulin; You, Jingsong","Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates","ACS Catalysis","2018","8","9","8709","","10.1021/acscatal.8b02639","","x-ray","1.54184","CuKα","","0.1174","0.103","","","0.3134","0.3425","","","","","","1.438","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515712","10.307","0.0013","26.879","0.003","20.89","0.003","90","","101.156","0.002","90","","5678","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12.5 Al Cl F15.5 N -","- C30 H13 Al Cl F15.5 N -","- C240 H104 Al8 Cl8 F124 N8 -","8","2","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.1086","0.0596","","","0.1534","0.1831","","","","","","1.04","","","","has coordinates","225844","2020-10-21","18:00:00",""
"4515713","9.3329","0.0006","10.0874","0.0006","11.22","0.0007","67.672","0.001","88.245","0.001","65.949","0.001","882.58","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N Si -","- C22 H21 N Si -","- C44 H42 N2 Si2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C–H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0417","0.0354","","","0.0892","0.093","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515714","10.4075","0.001","10.6369","0.001","13.0972","0.0012","79.781","0.002","79.01","0.002","71.612","0.002","1339.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Al F16 N4 -","- C27 H14 Al F16 N4 -","- C54 H28 Al2 F32 N8 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0493","0.0419","","","0.1297","0.1398","","","","","","1.044","","","","has coordinates","225846","2020-10-21","18:00:00",""
"4515715","7.4782","0.0015","17.022","0.004","9.979","0.002","90","","107.975","0.004","90","","1208.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H9 Al F15 N -","- C27 H9 Al F15 N -","- C54 H18 Al2 F30 N2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0642","0.0489","","","0.1072","0.1157","","","","","","1.057","","","","has coordinates","225847","2020-10-21","18:00:00",""
"4515716","11.7791","0.0011","5.8649","0.0005","21.894","0.002","90","","92.863","0.001","90","","1510.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 O2 S2 -","- C15 H11 F3 O2 S2 -","- C60 H44 F12 O8 S8 -","4","1","","Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu","Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones","ACS Catalysis","2018","8","9","8237","","10.1021/acscatal.8b02194","","","0.71073","MoKα","","0.0512","0.0418","","","0.0712","0.0717","","","","","","3.5","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515717","10.219","0.007","20.254","0.012","10.852","0.007","90","","107.747","0.006","90","","2139","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F4 O3 S2 -","- C21 H20 F4 O3 S2 -","- C84 H80 F16 O12 S8 -","4","1","","Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu","Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones","ACS Catalysis","2018","8","9","8237","","10.1021/acscatal.8b02194","","","0.71073","MoKα","","0.1118","0.0543","","","0.1463","0.1922","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515718","18.6272","0.0002","10.623","0.0001","23.1001","0.0003","90","","101.192","0.001","90","","4484.04","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Mn N O2 P2 -","- C21 H36 Mn N O2 P2 -","- C168 H288 Mn8 N8 O16 P16 -","8","1","","Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.","ACS catalysis","2018","8","9","8014","8019","10.1021/acscatal.8b02902","","","1.54184","CuKα","","0.0414","0.0391","","","0.1116","0.1133","","","","","","1.1","","","","has coordinates","225850","2020-10-21","18:00:00",""
"4515719","11.6109","0.0002","18.5885","0.0002","21.5322","0.0003","90","","99.218","0.001","90","","4587.26","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Mn2 N4 O4 P4 -","- C42 H68 Mn2 N4 O4 P4 -","- C168 H272 Mn8 N16 O16 P16 -","4","1","","Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.","ACS catalysis","2018","8","9","8014","8019","10.1021/acscatal.8b02902","","","0.71073","MoKα","","0.0426","0.0309","","","0.071","0.0773","","","","","","1.033","","","","has coordinates","225850","2020-10-21","18:00:00",""
"4515720","12.7712","0.0011","19.068","0.0014","15.4049","0.0012","90","","110.526","0.002","90","","3513.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H55 Fe N3 P2 Si2 -","- C29 H55 Fe N3 P2 Si2 -","- C116 H220 Fe4 N12 P8 Si8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0672","0.039","","","0.0807","0.0908","","","","","","1.007","","","","has coordinates","225851","2020-10-21","18:00:00",""
"4515721","10.589","0.004","12.811","0.005","15.92","0.006","92.93","0.015","104.249","0.014","99.001","0.013","2058.3","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H67 Fe N3 P3 Si2 -","- C35 H67 Fe N3 P3 Si2 -","- C70 H134 Fe2 N6 P6 Si4 -","2","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0619","0.0355","","","0.0806","0.0917","","","","","","0.99","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515722","16.778","0.0009","15.4527","0.0009","16.706","0.0011","90","","99.322","0.002","90","","4274.1","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H58 Fe N4 P2 Si2 -","- C31 H58 Fe N4 P2 Si2 -","- C124 H232 Fe4 N16 P8 Si8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0651","0.0417","","","0.1009","0.1165","","","","","","1.008","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515723","18.6843","0.0014","11.1179","0.0009","18.9515","0.0014","90","","110.665","0.002","90","","3683.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Fe N6 P2 -","- C40 H50 Fe N6 P2 -","- C160 H200 Fe4 N24 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0465","0.0365","","","0.0898","0.0963","","","","","","1.021","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515724","18.764","0.002","11.2867","0.0013","20.592","0.002","90","","114.08","0.003","90","","3981.5","0.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 B Fe N5 O2 P2 -","- C39 H58 B Fe N5 O2 P2 -","- C156 H232 B4 Fe4 N20 O8 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0585","0.0402","","","0.0934","0.1034","","","","","","1.041","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515725","11.6782","0.0005","8.2226","0.0004","20.44","0.001","90","","99.939","0.005","90","","1933.3","0.16","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N O Ru -","- C22 H24 Cl N O Ru -","- C88 H96 Cl4 N4 O4 Ru4 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.0505","0.0469","","","0.1227","0.1292","","","","","","1.028","","","","has coordinates","225852","2020-10-21","18:00:00",""
"4515726","8.295","0.007","11.086","0.01","21.615","0.016","90","","93.5","0.08","90","","1984","3","295.28","0.11","295.28","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","yjs-zlq-1","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C–H/C–H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.1258","0.1036","","","0.2167","0.253","","","","","","1.14","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515727","13.2275","0.0002","10.9193","0.0002","24.4944","0.0004","90","","98.3993","0.0017","90","","3499.9","0.1","293.4","0.5","293.4","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F6 N2 O2 Ru Sb -","- C33 H39 F6 N2 O2 Ru Sb -","- C132 H156 F24 N8 O8 Ru4 Sb4 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.0668","0.0596","","","0.1555","0.1654","","","","","","1.012","","","","has coordinates","225854","2020-10-21","18:00:00",""
"4515728","12.0659","0.0003","12.6901","0.0002","13.3087","0.0003","94.285","0.001","102.738","0.002","90.704","0.002","1981.22","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H43 Br Mn N O4 P2 -","- C47 H43 Br Mn N O4 P2 -","- C94 H86 Br2 Mn2 N2 O8 P4 -","2","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.0643","0.0612","","","0.161","0.1637","","","","","","1.03","","","","has coordinates,has disorder","225855","2020-10-21","18:00:00",""
"4515729","10.0379","0.0001","11.3687","0.0001","15.6568","0.0002","73.97","0.001","77.542","0.001","72.82","0.001","1623.02","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H31 B Mn N O2 P2 -","- C39 H31 B Mn N O2 P2 -","- C78 H62 B2 Mn2 N2 O4 P4 -","2","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.0505","0.049","","","0.1158","0.1167","","","","","","1.038","","","","has coordinates,has disorder","225855","2020-10-21","18:00:00",""
"4515730","37.5012","0.0005","37.5012","0.0005","11.98047","0.00016","90","","90","","120","","14591.3","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H31 Mn N2 O2 P2 -","- C39 H31 Mn N2 O2 P2 -","- C702 H558 Mn18 N36 O36 P36 -","18","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.054","0.0501","","","0.1434","0.1473","","","","","","1.072","","","","has coordinates","225855","2020-10-21","18:00:00",""
"4515731","9.7404","0.0006","13.3126","0.0008","17.0002","0.001","90","","104.115","0.003","90","","2137.9","0.2","143","","143","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br Cl2 N O Pt -","- C20 H20 Br Cl2 N O Pt -","- C80 H80 Br4 Cl8 N4 O4 Pt4 -","4","1","","Shimbayashi, Takuya; Matsushita, Gaku; Nanya, Atsushi; Eguchi, Akira; Okamoto, Kazuhiro; Ohe, Kouichi","Divergent Catalytic Approach from Cyclic Oxime Esters to Nitrogen-Containing Heterocycles with Group 9 Metal Catalysts","ACS Catalysis","2018","8","9","7773","","10.1021/acscatal.8b01646","","","0.71075","MoKα","","0.0381","0.0289","","","0.0582","0.0617","","","","","","0.997","","","","has coordinates","225856","2020-10-21","18:00:00",""
"4515732","10.0186","0.0003","10.0186","0.0003","30.9734","0.0011","90","","90","","90","","3108.87","0.17","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H41 Cl2 N Ru S -","- C33 H41 Cl2 N Ru S -","- C132 H164 Cl8 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0314","0.0287","","","0.0571","0.0583","","","","","","1.003","","","","has coordinates","225857","2020-10-21","18:00:00",""
"4515733","16.3382","0.0007","16.5805","0.0007","10.4655","0.0005","90","","90","","90","","2835.1","0.2","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H36 Cl2 F3 N Ru S -","- C28 H36 Cl2 F3 N Ru S -","- C112 H144 Cl8 F12 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0235","0.0201","","","0.0423","0.0438","","","","","","1.004","","","","has coordinates","225858","2020-10-21","18:00:00",""
"4515734","11.0669","0.0003","14.1689","0.0004","17.6536","0.0005","103.228","0.001","94.276","0.001","100.447","0.001","2630.52","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 Cl2 F3 N Ru S -","- C26 H32 Cl2 F3 N Ru S -","- C104 H128 Cl8 F12 N4 Ru4 S4 -","4","2","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0502","0.0377","","","0.0869","0.0955","","","","","","1.025","","","","has coordinates","225859","2020-10-21","18:00:00",""
"4515735","19.868","0.0007","9.2131","0.0003","17.5258","0.0007","90","","90","","90","","3208","0.2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H39 Cl4 N Ru S -","- C32 H39 Cl4 N Ru S -","- C128 H156 Cl16 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0296","0.0273","","","0.0596","0.0607","","","","","","1.005","","","","has coordinates","225860","2020-10-21","18:00:00",""
"4515736","12.6411","0.0013","16.3119","0.0016","19.7095","0.0018","90","","106.372","0.003","90","","3899.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 S Y2 -","- C43 H60 S Y2 -","- C172 H240 S4 Y8 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0943","0.0435","","","0.0758","0.0893","","","","","","1.047","","","","has coordinates","225861","2020-10-21","18:00:00",""
"4515737","16.796","0.002","8.4624","0.0013","16.616","0.002","90","","102.549","0.005","90","","2305.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 S Y -","- C25 H33 S Y -","- C100 H132 S4 Y4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0439","0.0323","","","0.0773","0.0836","","","","","","1.037","","","","has coordinates","225862","2020-10-21","18:00:00",""
"4515738","10.343","0.0007","10.6225","0.0007","10.683","0.0006","94.507","0.002","108.927","0.002","92.924","0.002","1103.18","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 S2 Y2 -","- C50 H66 S2 Y2 -","- C50 H66 S2 Y2 -","1","0.5","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0501","0.0463","","","0.1549","0.1574","","","","","","1.022","","","","has coordinates","225863","2020-10-21","18:00:00",""
"4515739","9.7426","0.0009","9.7458","0.0008","18.818","0.0014","90","","90.465","0.003","90","","1786.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 S Si -","- C20 H20 S Si -","- C80 H80 S4 Si4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C–H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0449","0.0372","","","0.0948","0.1","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515740","10.304","0.0007","17.9385","0.0015","11.4674","0.0009","90","","107.757","0.002","90","","2018.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N S Si -","- C23 H21 N S Si -","- C92 H84 N4 S4 Si4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.06","0.0445","","","0.1106","0.1198","","","","","","1.053","","","","has coordinates,has disorder","225865","2020-10-21","18:00:00",""
"4515741","9.6875","0.001","13.7823","0.0016","17.6769","0.0018","90","","90","","90","","2360.1","0.4","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl3 Ir N O3 -","- C21 H25 Cl3 Ir N O3 -","- C84 H100 Cl12 Ir4 N4 O12 -","4","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0494","0.0378","","","0.094","0.0988","","","","","","1.042","","","","has coordinates","225866","2020-10-21","18:00:00",""
"4515742","18.4094","0.0018","18.4094","0.0018","11.3169","0.0007","90","","90","","120","","3321.5","0.5","150","2","150","","","","","","","","","6","P 61","P 61","169","","","","- C21 H25 Cl Ir N O3 -","- C21 H25 Cl Ir N O3 -","- C126 H150 Cl6 Ir6 N6 O18 -","6","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0342","0.0289","","","0.067","0.0686","","","","","","1.051","","","","has coordinates","225867","2020-10-21","18:00:00",""
"4515743","7.421","0.003","16.048","0.006","8.176","0.003","90","","101.174","0.011","90","","955.2","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C40 H48 Cl2 N2 O8 -","2","1","","Schmid, Steven C.; Guzei, Ilia A.; Fernández, Israel; Schomaker, Jennifer M.","Ring Expansion of Bicyclic Methyleneaziridines via Concerted, Near-Barrierless [2,3]-Stevens Rearrangements of Aziridinium Ylides.","ACS catalysis","2018","8","9","7907","7914","10.1021/acscatal.8b02206","","x-ray","0.71073","MoKα","K-L~3~","0.0472","0.0362","","","0.0774","0.0809","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515744","16.4612","0.0008","13.7221","0.0007","26.85","0.0013","90","","90","","90","","6064.9","0.5","100","2","100","2","","","","","","","dichloromethane","6","P b c a","-P 2ac 2ab","61","","N-(2,6-diisopropyl-phenyl)-2-dicyclohexyl- phosphinyl-pyridinium hexafluoroantimonate","","- C29 H43 F6 N P Sb -","- C29 H43 F6 N P Sb -","- C232 H344 F48 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","1.54178","Cu-Kα","","0.0356","0.0339","","","0.089","0.0908","","","","","","1.048","","","","has coordinates,has disorder","225869","2020-10-21","18:00:00",""
"4515745","27.034","0.004","8.1387","0.0011","29.826","0.004","90","","95.017","0.002","90","","6537.2","1.6","100","2","100","2","","","","","","","dichloromthane, tetrahydrofuran","6","C 1 2/c 1","-C 2yc","15","","N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinyl-pyridinium hexafluoroantimonate","","- C30 H21 F18 N P Sb -","- C30 H21 F18 N P Sb -","- C240 H168 F144 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0643","0.0596","","","0.1159","0.1176","","","","","","1.252","","","","has coordinates,has disorder","225870","2020-10-21","18:00:00",""
"4515746","8.7962","0.0006","27.1915","0.0018","16.076","0.0014","90","","103.535","0.009","90","","3738.3","0.5","100","2","100","2","","","","","","","acetonitrile","8","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate acetonitrile","","- C32 H24 Au Cl F18 N2 P Sb -","- C32 H24 Au Cl F18 N2 P Sb -","- C128 H96 Au4 Cl4 F72 N8 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0307","0.0252","","","0.0601","0.0633","","","","","","1.109","","","","has coordinates,has disorder","225871","2020-10-21","18:00:00",""
"4515747","8.4844","0.0011","13.1717","0.0017","13.5679","0.0017","92.667","0.002","105.963","0.002","100.874","0.002","1423.8","0.3","100","2","100","2","","","","","","","tetrahydrofuran, dichloromethane","7","P -1","-P 1","2","","1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinyl-pyridinium hexafluoroantimonate dichloromethane","","- C27 H27 Cl2 F6 N P Sb -","- C27 H27 Cl2 F6 N P Sb -","- C54 H54 Cl4 F12 N2 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0636","0.0544","","","0.1467","0.1546","","","","","","1.029","","","","has coordinates,has disorder","225872","2020-10-21","18:00:00",""
"4515748","10.6409","0.0009","16.737","0.002","17.0626","0.0014","82.428","0.008","84.084","0.005","87.346","0.009","2994.6","0.5","150","2","150","2","","","","","","","dichloromethane, pentane","8","P -1","-P 1","2","","N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinylchlorogold(i)- pyridinium hexafluoroantimonate","","- C26 H37 Au Cl F6 N P Sb -","- C26 H37 Au Cl F6 N P Sb -","- C104 H148 Au4 Cl4 F24 N4 P4 Sb4 -","4","2","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0899","0.0587","","","0.1377","0.1562","","","","","","1.049","","","","has coordinates,has disorder","225873","2020-10-21","18:00:00",""
"4515749","13.8885","0.0009","13.3919","0.0006","15.6069","0.0018","90","","112.626","0.006","90","","2679.4","0.4","150","2","150","2","","","","","","","dichloormethane, pentane","6","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinyl-pyridinium hexafluoroantimonate","","- C26 H37 F6 N P Sb -","- C26 H37 F6 N P Sb -","- C104 H148 F24 N4 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0458","0.038","","","0.0948","0.1009","","","","","","1.03","","","","has coordinates,has disorder","225874","2020-10-21","18:00:00",""
"4515750","11.9033","0.0009","8.2433","0.0007","28.535","0.002","90","","99.672","0.003","90","","2760.1","0.4","100","","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl F6 Ir N P Sb -","- C26 H29 Cl F6 Ir N P Sb -","- C104 H116 Cl4 F24 Ir4 N4 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0573","0.0506","","","0.1086","0.1109","","","","","","1.173","","","","has coordinates","225875","2020-10-21","18:00:00",""
"4515751","10.004","0.0004","10.1489","0.0004","15.7193","0.0009","107.808","0.003","92.182","0.004","112.364","0.003","1383.43","0.12","100","2","100","2","","","","","","","dichloromethane","8","P -1","-P 1","2","","1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinylchlorogold(i)-pyridinium hexafluoroantimonate","","- C26 H25 Au Cl F6 N P Sb -","- C26 H25 Au Cl F6 N P Sb -","- C52 H50 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0154","0.0143","","","0.0359","0.0365","","","","","","1.091","","","","has coordinates","225876","2020-10-21","18:00:00",""
"4515752","8.9106","0.0012","12.9646","0.0017","19.744","0.003","73.397","0.002","82.399","0.002","85.849","0.002","2165.1","0.5","100","2","100","2","","","","","","","dichloromethane","9","P -1","-P 1","2","","N-(2,6-dimethoxy-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate dichloromethane","","- C31.5 H24 Au Cl6 F18 N O2 P Sb -","- C31.5 H24 Au Cl6 F18 N O2 P Sb -","- C63 H48 Au2 Cl12 F36 N2 O4 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0584","0.054","","","0.1243","0.1264","","","","","","1.114","","","","has coordinates,has disorder","225877","2020-10-21","18:00:00",""
"4515753","11.0227","0.0008","11.4514","0.0009","15.2564","0.0011","69.58","0.003","76.609","0.003","74.008","0.002","1715.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H40 O5 -","- C46 H40 O5 -","- C92 H80 O10 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0551","0.0487","","","0.1324","0.1379","","","","","","1.043","","","","has coordinates,has disorder","225878","2020-10-21","18:00:00",""
"4515754","8.3643","0.0009","11.8205","0.0013","13.1583","0.0014","91.321","0.002","104.359","0.002","99.991","0.002","1238.2","0.2","100","2","100","2","","","","","","","dichloromethane, tetrahydrofuran","7","P -1","-P 1","2","","N-(2,6-dimethoxy-phenyl)-2-diphenyl- phosphinyl-pyridinium hexafluoroantimonate","","- C25 H23 F6 N O2 P Sb -","- C25 H23 F6 N O2 P Sb -","- C50 H46 F12 N2 O4 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0273","0.0229","","","0.0569","0.0591","","","","","","0.96","","","","has coordinates","225879","2020-10-21","18:00:00",""
"4515755","26.96","0.01","8.264","0.003","9.337","0.004","90","","107.363","0.005","90","","1985.5","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C100 H84 N4 O8 S4 -","4","1","","Liu, Xihong; Wang, Pengxin; Bai, Lutao; Li, Dan; Wang, Linqing; Yang, Dongxu; Wang, Rui","Construction of Vicinal All-Carbon Quaternary Stereocenters Enabled by a Catalytic Asymmetric Dearomatization Reaction of β-Naphthols with 3-Bromooxindoles","ACS Catalysis","2018","8","11","10888","","10.1021/acscatal.8b03905","","","0.71073","MoKα","","0.0367","0.0341","","","0.1","0.1048","","","","","","0.999","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515756","6.4088","0.0002","7.0686","0.0002","19.8625","0.0005","90","","93.865","0.002","90","","897.75","0.04","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N4 O -","- C22 H22 N4 O -","- C44 H44 N8 O2 -","2","1","","Marichev, Kostiantyn O.; Adly, Frady G.; Carranco, Alejandra M.; Garcia, Estevan C.; Arman, Hadi; Doyle, Michael P.","Catalyst Choice for Highly Enantioselective [3 + 3]-Cycloaddition of Enoldiazocarbonyl Compounds","ACS Catalysis","2018","8","11","10392","","10.1021/acscatal.8b03391","","x-ray","0.71073","MoKα","","0.0373","0.036","","","0.0808","0.082","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515757","25.286","0.005","23.295","0.005","20.693","0.004","90","","127.48","0.03","90","","9673","5","200","","200","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C50.31 H48.22 B Cl1.39 F4 Fe N2 Ni O1.31 S2 -","- C50.307 H48.226 B Cl1.39 F4 Fe N2 Ni O1.306 S2 -","- C402.456 H385.808 B8 Cl11.12 F32 Fe8 N16 Ni8 O10.448 S16 -","8","1","","Brazzolotto, Deborah; Wang, Lianke; Tang, Hao; Gennari, Marcello; Queyriaux, Nicolas; Philouze, Christian; Demeshko, Serhiy; Meyer, Franc; Orio, Maylis; Artero, Vincent; Hall, Michael B.; Duboc, Carole","Tuning Reactivity of Bioinspired [NiFe]-Hydrogenase Models by Ligand Design and Modeling the CO Inhibition Process","ACS Catalysis","2018","8","11","10658","","10.1021/acscatal.8b02830","","x-ray","0.71073","MoKα","","0.0868","0.0666","","","0.1507","0.1615","","","","","","1.241","","","","has coordinates,has disorder","225882","2020-10-21","18:00:00",""
"4515758","9.1903","0.0002","10.9348","0.0003","17.0654","0.0004","90","","90","","90","","1714.97","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N O2 P -","- C20 H18 N O2 P -","- C80 H72 N4 O8 P4 -","4","1","","Wang, Huamin; Li, Yongli; Tang, Zilu; Wang, Shengchun; Zhang, Heng; Cong, Hengjiang; Lei, Aiwen","Z-Selective Addition of Diaryl Phosphine Oxides to Alkynes via Photoredox Catalysis","ACS Catalysis","2018","8","11","10599","","10.1021/acscatal.8b02617","","","1.54178","CuKα","","0.0671","0.0655","","","0.167","0.1691","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515759","12.992","0.003","16.505","0.005","17.872","0.005","90","","102.41","0.01","90","","3742.8","1.8","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H94 F9 Ho N4 O22 S3 -","- C58 H94 F9 Ho N4 O22 S3 -","- C116 H188 F18 Ho2 N8 O44 S6 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","1.54178","CuKα","","0.0368","0.0354","","","0.0923","0.0933","","","","","","1.042","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515760","13.9107","0.0009","13.9185","0.0008","15.4002","0.001","90","","109.507","0.004","90","","2810.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N2 O6 S -","- C30 H32 N2 O6 S -","- C120 H128 N8 O24 S4 -","4","2","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.0536","0.0411","","","0.0879","0.0957","","","","","","1.001","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515761","9.458","0.003","25.399","0.008","11.67","0.004","90","","93.281","0.012","90","","2798.8","1.6","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C84 H120 Br4 F18 N8 O32 S6 Tm2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.118","0.0778","","","0.1882","0.2152","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515762","9.3322","0.0003","18.7754","0.0005","9.4931","0.0003","90","","107.649","0.003","90","","1585.05","0.09","296.31","0.1","296.31","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 O6 S -","- C36 H36 N2 O6 S -","- C72 H72 N4 O12 S2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","x-ray","1.54184","CuKα","","0.0515","0.0504","","","0.1282","0.1303","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515763","12.2999","0.0013","14.3668","0.0016","15.8349","0.0018","90","","90","","90","","2798.2","0.5","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl F N4 O8 -","- C27 H28 Cl F N4 O8 -","- C108 H112 Cl4 F4 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.1043","0.067","","","0.169","0.1906","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515764","12.4437","0.0012","15.4069","0.0015","15.5019","0.0016","90","","90","","90","","2972","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N4 O8 -","- C27 H28 Cl2 N4 O8 -","- C108 H112 Cl8 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.0631","0.0487","","","0.1304","0.1408","","","","","","1.054","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515765","10.4443","0.0003","14.5326","0.0004","38.8497","0.001","90","","90","","90","","5896.7","0.3","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H31 N5 O7 -","- C30 H31 N5 O7 -","- C240 H248 N40 O56 -","8","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","1.54178","CuKα","","0.045","0.0433","","","0.1034","0.1047","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515766","11.7118","0.0006","39.9043","0.0017","6.266","0.0003","90","","97.254","0.002","90","","2905","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N O4 S -","- C32 H39 N O4 S -","- C128 H156 N4 O16 S4 -","4","1","","Jiang, Fei; Yuan, Fu-Ru; Jin, Li-Wen; Mei, Guang-Jian; Shi, Feng","Metal-Catalyzed (4 + 3) Cyclization of Vinyl Aziridines withpara-Quinone Methide Derivatives","ACS Catalysis","2018","8","11","10234","","10.1021/acscatal.8b03410","","","0.71073","MoKα","","0.0959","0.0648","","","0.1724","0.2012","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515767","6.7169","0.0005","11.3747","0.0007","13.8249","0.001","67.899","0.007","87.885","0.006","79.889","0.006","962.96","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O3 Pd -","- C22 H22 N2 O3 Pd -","- C44 H44 N4 O6 Pd2 -","2","1","","Maji, Arun; Reddi, Yernaidu; Sunoj, Raghavan B.; Maiti, Debabrata","Mechanistic Insights on Orthogonal Selectivity in Heterocycle Synthesis","ACS Catalysis","2018","8","11","10111","","10.1021/acscatal.8b02537","","x-ray","0.71073","MoKα","","0.0633","0.0472","","","0.0892","0.0994","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515768","10.4797","0.0004","13.5923","0.0005","13.9879","0.0006","91.294","0.002","92.227","0.003","91.361","0.002","1989.86","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H51 Bi O8 P Rh -","- C38 H51 Bi O8 P Rh -","- C76 H102 Bi2 O16 P2 Rh2 -","2","1","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0614","0.0408","","","0.0879","0.0959","","","","","","1.02","","","","has coordinates,has disorder","225893","2020-10-21","18:00:00",""
"4515769","22.2169","0.0005","22.2169","0.0005","10.9063","0.0003","90","","90","","90","","5383.2","0.2","200","2","200","","","","","","","","","7","I 4","I 4","79","","","","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C135.68 H191.36 Bi2 N8 O35.92 Rh2 S8 -","2","0.25","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0444","0.0361","","","0.0913","0.0956","","","","","","1.07","","","","has coordinates,has disorder","225894","2020-10-21","18:00:00",""
"4515770","7.1256","0.0002","13.4641","0.0004","8.7896","0.0003","90","","102.373","0.001","90","","823.69","0.04","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H28 Cl Ir P2 -","- C14 H28 Cl Ir P2 -","- C28 H56 Cl2 Ir2 P4 -","2","0.5","","Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun","Rational Design of a Catalyst for the Selective Monoborylation of Methane","ACS Catalysis","2018","8","11","10021","","10.1021/acscatal.8b02771","","","0.71073","MoKα","","0.0194","0.0163","","","0.034","0.0349","","","","","","1.059","","","","has coordinates,has disorder","225895","2020-10-21","18:00:00",""
"4515771","9.2992","0.0011","15.198","0.0011","12.6751","0.0008","90","","99.38","0.009","90","","1767.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C72 H104 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)–H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.1051","0.0647","","","0.1416","0.1775","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515772","10.5957","0.0009","18.8441","0.0017","7.6415","0.0005","90","","90","","90","","1525.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)–H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.0607","0.0469","","","0.0947","0.1048","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515773","9.097","0.004","12.191","0.005","13.111","0.005","114.466","0.006","95.343","0.007","108.732","0.007","1209.5","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","","Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes","ACS Catalysis","2018","8","12","11029","","10.1021/acscatal.8b03655","","","0.71073","MoKα","","0.0828","0.0508","","","0.1369","0.1579","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515774","12.157","0.003","12.525","0.002","12.945","0.003","90","","91.141","0.005","90","","1970.7","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes","ACS Catalysis","2018","8","12","11029","","10.1021/acscatal.8b03655","","","0.71073","MoKα","","0.1588","0.0614","","","0.1272","0.1691","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515775","11.6456","0.0007","5.1414","0.0003","13.0095","0.0007","90","","110.064","0.004","90","","731.67","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Hota, Pradip Kumar; Sau, Samaresh Chandra; Mandal, Swadhin K.","Metal-Free Catalytic Formylation of Amides Using CO2 under Ambient Conditions","ACS Catalysis","2018","8","12","11999","","10.1021/acscatal.8b04023","","","0.71073","MoKα","","0.0775","0.045","","","0.1169","0.1319","","","","","","0.897","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515776","7.4546","0.0012","13.367","0.002","24.063","0.004","90","","90","","90","","2397.8","0.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br I N2 O4 S -","- C24 H22 Br I N2 O4 S -","- C96 H88 Br4 I4 N8 O16 S4 -","4","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0322","0.0284","","","0.0682","0.0694","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515777","6.8374","0.0003","14.8665","0.0006","12.6176","0.0006","90","","105.716","0.0015","90","","1234.61","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 I N2 O4 S -","- C26 H25 I N2 O4 S -","- C52 H50 I2 N4 O8 S2 -","2","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0204","0.02","","","0.0526","0.0527","","","","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515778","24.897","0.003","5.8589","0.0006","26.361","0.003","90","","100.161","0.004","90","","3784.9","0.7","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O3 -","- C26 H18 O3 -","- C208 H144 O24 -","8","1","","Lad, Bapurao Sudam; Katukojvala, Sreenivas","Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls","ACS Catalysis","2018","8","12","11807","","10.1021/acscatal.8b03865","","","0.71073","MoKα","","0.0983","0.0532","","","0.0994","0.1152","","","","","","1.018","","","","has coordinates","225903","2020-10-21","18:00:00",""
"4515779","5.8118","0.0008","7.6603","0.001","13.506","0.002","82.491","0.007","89.314","0.007","82.461","0.007","590.97","0.14","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C24 H28 O10 -","2","1","","Lad, Bapurao Sudam; Katukojvala, Sreenivas","Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls","ACS Catalysis","2018","8","12","11807","","10.1021/acscatal.8b03865","","","0.71073","MoKα","","0.0455","0.0358","","","0.0858","0.0908","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515780","7.7134","0.0003","7.817","0.0003","7.9908","0.0003","97.754","0.003","108.946","0.003","112.35","0.004","402.67","0.03","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Cl8 N2 W2 -","- C4 H10 Cl8 N2 W2 -","- C4 H10 Cl8 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.7107","MoKα","","0.034","0.03","","","0.0642","0.0665","","","","","","1.117","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515781","7.1984","0.0005","9.6255","0.0006","12.8058","0.0008","68.524","0.016","86.291","0.018","81.137","0.018","815.79","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl8 F6 N2 W2 -","- C26 H20 Cl8 F6 N2 W2 -","- C26 H20 Cl8 F6 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0286","0.024","","","0.0559","0.058","","","","","","1.051","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515782","9.6082","0.0006","9.7882","0.0007","10.2905","0.0006","106.301","0.008","106.481","0.008","110.355","0.008","788.82","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cl8 N2 W2 -","- C24 H34 Cl8 N2 W2 -","- C24 H34 Cl8 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0269","0.0246","","","0.0632","0.0638","","","","","","1.239","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515783","9.7378","0.0006","11.39","0.0007","16.7268","0.0009","90","","93.494","0.01","90","","1851.78","0.19","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl8 D6 N2 W2 -","- C30 H34 Cl8 D6 N2 W2 -","- C60 H68 Cl16 D12 N4 W4 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0305","","","0.0611","0.0654","","","","","","1.059","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515784","11.3589","0.0005","11.3408","0.0005","11.9422","0.0006","90","","100.845","0.006","90","","1510.91","0.12","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 F3 N O W -","- C10 H10 Cl4 F3 N O W -","- C40 H40 Cl16 F12 N4 O4 W4 -","4","1","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0317","0.0209","","","0.0466","0.0488","","","","","","0.997","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515785","8.5798","0.0007","14.0708","0.001","17.3875","0.0014","95.674","0.01","98.423","0.009","97.281","0.009","2044.9","0.3","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl4 N O W -","- C16 H25 Cl4 N O W -","- C64 H100 Cl16 N4 O4 W4 -","4","2","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0433","0.0284","","","0.0596","0.0645","","","","","","1.03","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515786","9.5696","0.0003","10.714","0.0003","40.8756","0.0012","90","","90","","90","","4190.9","0.2","120","","120","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H54 Cl7 N3 W2 -","- C32 H54 Cl7 N3 W2 -","- C128 H216 Cl28 N12 W8 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.1053","0.0926","","","0.1621","0.1673","","","","","","1.287","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515787","15.7347","0.0005","13.6973","0.0004","12.7686","0.0004","90","","90","","90","","2751.93","0.15","120","2","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H45 Cl N P3 W -","- C21 H45 Cl N P3 W -","- C84 H180 Cl4 N4 P12 W4 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0577","0.0545","","","0.1297","0.1311","","","","","","1.386","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515788","6.3483","0.001","7.2804","0.0011","11.9671","0.0018","90","","93.604","0.01","90","","552","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(phenylimido)trimethyl tungsten chloride","","- C9 H14 Cl N W -","- C9 H14 Cl N W -","- C18 H28 Cl2 N2 W2 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0156","0.0152","","","0.0404","0.0405","","","","","","1.323","","","","has coordinates,has disorder","266888","2021-07-02","05:34:22",""
"4515789","10.0824","0.0005","16.3429","0.001","13.3029","0.0007","90","","96.616","0.006","90","","2177.4","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Al Cl4 N W -","- C15 H26 Al Cl4 N W -","- C60 H104 Al4 Cl16 N4 W4 -","4","1","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0198","0.0161","","","0.0342","0.0351","","","","","","1.034","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515790","14.4162","0.0002","32.8597","0.0006","20.2434","0.0004","90","","109.886","0.002","90","","9017.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H120 Co2 N7 O34 V W9 -","- C56 H120 Co2 N7 O34 V W9 -","- C224 H480 Co8 N28 O136 V4 W36 -","4","1","","Sullivan, Kevin P.; Wieliczko, Marika; Kim, Mooeung; Yin, Qiushi; Collins-Wildman, Daniel L.; Mehta, Anil K.; Bacsa, John; Lu, Xinlin; Geletii, Yurii V.; Hill, Craig L.","Speciation and Dynamics in the [Co4V2W18O68]10‒/Co(II)aq/CoOx Catalytic Water Oxidation System","ACS Catalysis","2018","8","12","11952","","10.1021/acscatal.7b01030","","x-ray","0.71073","MoKα","","0.1281","0.1151","","","0.2831","0.2904","","","","","","1.163","","","","has coordinates,has disorder","225906","2020-10-21","18:00:00",""
"4515791","9.9646","0.0015","31.521","0.005","6.9339","0.0007","90","","101.603","0.012","90","","2133.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Wang, Huifei; Qiu, Shuxian; Wang, Sasa; Zhai, Hongbin","Pd-Catalyzed Umpolung of π–Allylpalladium Intermediates: Assembly of All-Carbon α-Vinyl Quaternary Aldehydes through C(sp3)–C(sp3) Coupling","ACS Catalysis","2018","8","12","11960","","10.1021/acscatal.8b03814","","x-ray","1.54184","CuKα","","0.1276","0.0965","","","0.2589","0.2933","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515792","11.7665","0.0011","26.084","0.003","21.832","0.0018","90","","92.097","0.003","90","","6696.1","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","shs302m","","","- C60 H42 Br2 Cu F12 N6 O8 Sb2 -","- C60 H42 Br2 Cu F12 N6 O8 Sb2 -","- C240 H168 Br8 Cu4 F48 N24 O32 Sb8 -","4","0.5","","Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen","Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers","ACS Catalysis","2018","8","12","11277","","10.1021/acscatal.8b02502","","","0.71073","MoKα","","0.2371","0.1755","","","0.4966","0.5348","","","","","","1.976","","","","has coordinates,has disorder","225908","2020-10-21","18:00:00",""
"4515793","26.796","0.002","14.7426","0.0014","22.903","0.003","90","","114.796","0.0015","90","","8213.5","1.5","103","2","103","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Br2 Cu F6 N12 O15 P -","- C76 H92 Br2 Cu F6 N12 O15 P -","- C304 H368 Br8 Cu4 F24 N48 O60 P4 -","4","0.5","","Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen","Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers","ACS Catalysis","2018","8","12","11277","","10.1021/acscatal.8b02502","","","0.71073","MoKα","","0.1944","0.0866","","","0.2333","0.2711","","","","","","0.935","","","","has coordinates,has disorder","225909","2020-10-21","18:00:00",""
"4515794","5.6607","0.0011","8.2437","0.0016","10.596","0.002","96.24","0.03","99.41","0.03","96.49","0.03","480.59","0.17","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","1","1","","Tong, Hua-Rong; Zheng, Sujuan; Li, Xinghua; Deng, Zhiqiang; Wang, Hao; He, Gang; Peng, Qian; Chen, Gong","Pd(0)-Catalyzed Bidentate Auxiliary Directed Enantioselective Benzylic C‒H Arylation of 3-Arylpropanamides Using the BINOL Phosphoramidite Ligand","ACS Catalysis","2018","8","12","11502","","10.1021/acscatal.8b03654","","","0.71073","MoKα","","0.0557","0.0352","","","0.0574","0.0612","","","","","","0.799","","","","has coordinates","225910","2020-10-21","18:00:00",""
"4515795","11.3157","0.0004","11.3157","0.0004","31.5787","0.0014","90","","90","","90","","4043.5","0.3","100","","99.97","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 N12 Ni2 -","- C40 H32 N12 Ni2 -","- C160 H128 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C–H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.02","0.0196","","","0.0534","0.0536","","","","","","1.047","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4515796","13.3888","0.0013","8.0065","0.0008","22.9811","0.0017","90","","95.656","0.003","90","","2451.5","0.4","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F N3 -","- C14 H14 F N3 -","- C112 H112 F8 N24 -","8","2","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C–H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0549","0.0464","","","0.1263","0.1331","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515797","9.5253","0.0004","16.5175","0.0007","22.4483","0.001","90","","90","","90","","3531.9","0.3","99.97","","99.97","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C40 H28 F4 N12 Ni2 -","- C40 H28 F4 N12 Ni2 -","- C160 H112 F16 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C–H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0701","0.0678","","","0.155","0.1558","","","","","","1.353","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515798","11.1442","0.0012","12.9041","0.0013","13.9829","0.0014","101.643","0.004","97.123","0.004","109.481","0.004","1816.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(BINAP)CuSCF3","","- C90 H64 Cu2 F6 P4 S2 -","- C90 H64 Cu2 F6 P4 S2 -","- C90 H64 Cu2 F6 P4 S2 -","1","0.5","","He, Jian; Chen, Caiyou; Fu, Gregory C.; Peters, Jonas C.","Visible-Light-Induced, Copper-Catalyzed Three-Component Coupling of Alkyl Halides, Olefins, and Trifluoromethylthiolate to Generate Trifluoromethyl Thioethers.","ACS catalysis","2018","8","12","11741","11748","10.1021/acscatal.8b04094","","","0.71073","MoKα","","0.0618","0.0405","","","0.1041","0.1151","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515799","10.1167","0.0017","9.2912","0.0016","10.2864","0.0016","90","","105.881","0.005","90","","930","0.3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 Fe S2 -","- C24 H18 Fe S2 -","- C48 H36 Fe2 S4 -","2","1","","Xu, Bing-Bin; Ye, Jie; Yuan, Yu; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric C‒H Arylation for the Synthesis of Planar Chiral Benzothiophene-Fused Ferrocenes","ACS Catalysis","2018","8","12","11735","","10.1021/acscatal.8b03912","","","0.71073","MoKα","","0.057","0.035","","","0.0615","0.0664","","","","","","1.013","","","","has coordinates","225915","2020-10-21","18:00:00",""
"4515800","17.8919","0.0006","12.6768","0.0004","19.8115","0.0007","90","","114.361","0.002","90","","4093.4","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Cl N4 Ni O P -","- C45 H51 Cl N4 Ni O P -","- C180 H204 Cl4 N16 Ni4 O4 P4 -","4","1","","Wang, Ting-Hsuan; Ambre, Ram; Wang, Qing; Lee, Wei-Chih; Wang, Pen-Cheng; Liu, Yuhua; Zhao, Lili; Ong, Tiow-Gan","Nickel-Catalyzed Heteroarenes Cross Coupling via Tandem C‒H/C‒O Activation","ACS Catalysis","2018","8","12","11368","","10.1021/acscatal.8b03436","","","0.71073","MoKα","","0.0877","0.0448","","","0.0729","0.0855","","","","","","1.048","","","","has coordinates","225917","2020-10-21","18:00:00",""
"4515801","9.8622","0.0009","17.5716","0.0013","19.3465","0.0016","90","","90","","90","","3352.6","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 Cl2 N4 W -","- C34 H44 Cl2 N4 W -","- C136 H176 Cl8 N16 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0409","0.0297","","","0.0559","0.0595","","","","","","0.998","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515802","10.5486","0.0009","16.4202","0.0014","17.086","0.0013","90","","90","","90","","2959.5","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl2 N2 P W -","- C27 H43 Cl2 N2 P W -","- C108 H172 Cl8 N8 P4 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0393","0.0334","","","0.0711","0.0731","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515803","12.0005","0.0005","12.4893","0.0005","13.5857","0.0006","90","","90","","90","","2036.2","0.15","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F6 N2 O2 W -","- C16 H14 Cl2 F6 N2 O2 W -","- C64 H56 Cl8 F24 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.058","0.0486","","","0.129","0.1377","","","","","","1.062","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515804","32.8492","0.0013","32.8492","0.0013","20.7376","0.0009","90","","90","","120","","19379.3","1.4","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.4 H45 Cl2 N2 O2.2 W -","- C52 H44 Cl2 N2 O2 W -","- C936 H792 Cl36 N36 O36 W18 -","18","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0752","0.0414","","","0.0761","0.084","","","","","","0.965","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515805","12.5254","0.0006","27.3985","0.0015","9.0867","0.0005","90","","105.516","0.005","90","","3004.7","0.3","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F18 N2 O2 W -","- C22 H14 Cl2 F18 N2 O2 W -","- C88 H56 Cl8 F72 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0265","0.0228","","","0.0482","0.0493","","","","","","1.119","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515806","7.3379","0.0003","7.8387","0.0004","17.8616","0.0008","87.953","0.007","81.828","0.007","87.079","0.007","1015.22","0.08","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Cl2 F10 N2 O2 W -","- C16 H10 Cl2 F10 N2 O2 W -","- C32 H20 Cl4 F20 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0247","0.02","","","0.0451","0.0464","","","","","","1.036","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515807","13.4052","0.0006","9.8029","0.0006","18.7197","0.0009","90","","109.016","0.008","90","","2325.7","0.2","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 Cl2 N2 O2 W -","- C19 H34 Cl2 N2 O2 W -","- C76 H136 Cl8 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0301","0.025","","","0.055","0.0574","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515808","9.8343","0.0006","9.9604","0.0006","13.7645","0.0008","70.528","0.008","85.509","0.008","71.846","0.008","1207.4","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cl2 N2 O2 W -","- C20 H36 Cl2 N2 O2 W -","- C40 H72 Cl4 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0306","0.0266","","","0.0662","0.069","","","","","","1.042","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515809","9.0974","0.0005","12.8175","0.0008","14.1008","0.001","112.357","0.009","90.965","0.009","99.035","0.009","1496.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H43.75 Cl2.5 N2 O2 W -","- C27.5 H43.75 Cl2.5 N2 O2 W -","- C55 H87.5 Cl5 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.03","0.0248","","","0.0576","0.0595","","","","","","1.046","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515810","12.1544","0.0012","10.4027","0.0011","24.447","0.002","90","","91.001","0.009","90","","3090.6","0.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl5 N2 O2 W -","- C28 H35 Cl5 N2 O2 W -","- C112 H140 Cl20 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0202","0.018","","","0.0387","0.0396","","","","","","1.052","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515811","8.8303","0.0005","11.5526","0.0006","12.8453","0.0007","77.061","0.006","85.454","0.006","74.916","0.006","1232.81","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 Cl2 F3 N2 O2 W -","- C22 H29 Cl2 F3 N2 O2 W -","- C44 H58 Cl4 F6 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0295","0.0229","","","0.0468","0.0487","","","","","","1.017","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515812","16.4344","0.0006","10.2454","0.0003","17.7291","0.0007","90","","90","","90","","2985.17","0.18","120","2","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H32 Cl4 N4 O6 W -","- C23 H32 Cl4 N4 O6 W -","- C92 H128 Cl16 N16 O24 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","K-L~3~","0.0332","0.0266","","","0.0578","0.0607","","","","","","1.05","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515813","16.2309","0.0009","10.3469","0.0007","22.3012","0.0013","90","","103.618","0.011","90","","3640","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 N2 O2 W -","- C40 H44 Cl2 N2 O2 W -","- C160 H176 Cl8 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","K-L~3~","0.0474","0.028","","","0.0533","0.0582","","","","","","0.936","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515814","8.535","0.003","10.595","0.004","11.444","0.004","79.5","0.006","87.548","0.007","81.464","0.007","1006.1","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.1168","0.0651","","","0.1855","0.2245","","","","","","0.8733","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515815","9.737","0.004","10.551","0.004","11.09","0.004","68.032","0.007","80.699","0.007","75.858","0.008","1021.5","0.7","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.1313","0.0715","","","0.1845","0.2193","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515816","8.9557","0.0014","9.9317","0.0015","13.533","0.003","90","","104.289","0.002","90","","1166.5","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C54 H66 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.059","0.0523","","","0.146","0.1537","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515817","15.878","0.002","10.9673","0.0015","16.462","0.002","90","","90.174","0.002","90","","2866.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O3 Os P2 -","- C28 H44 O3 Os P2 -","- C112 H176 O12 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","Dehydrogenation of Formic Acid Promoted by a Trihydride-Hydroxo-Osmium(IV) Complex: Kinetics and Mechanism","ACS Catalysis","2018","8","12","11314","","10.1021/acscatal.8b02370","","","0.71073","MoKα","","0.0744","0.0363","","","0.0832","0.1004","","","","","","1.06","","","","has coordinates,has disorder","225922","2020-10-21","18:00:00",""
"4515818","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","225923","2020-10-21","18:00:00",""
"4515819","11.4924","0.0008","18.4018","0.0013","20.7858","0.0015","90","","90","","90","","4395.8","0.5","133","2","133","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 F3 Fe N2 O6 P Pd S -","- C47 H44 F3 Fe N2 O6 P Pd S -","- C188 H176 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0381","0.0328","","","0.0748","0.0776","","","","","","1.013","","","","has coordinates","287926","2023-12-01","07:54:24",""
"4515820","11.5846","0.0011","16.3753","0.0015","25.133","0.002","90","","90","","90","","4767.8","0.7","293","2","293","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C192 H180 Cl12 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0807","0.0627","","","0.1439","0.1529","","","","","","0.978","","","","has coordinates","225925","2020-10-21","18:00:00",""
"4515821","14.2235","0.001","16.3932","0.0011","19.5487","0.0014","90","","98.023","0.001","90","","4513.5","0.5","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 Fe Ni O P2 -","- C53 H61 Fe Ni O P2 -","- C212 H244 Fe4 Ni4 O4 P8 -","4","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","1.54178","CuKα","","0.0304","0.0255","","","0.0673","0.0689","","","","","","1.059","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515822","23.2567","0.0004","16.9768","0.0002","21.0881","0.0005","90","","106.649","0.002","90","","7977","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 Fe Ni P2 -","- C43 H39 Fe Ni P2 -","- C344 H312 Fe8 Ni8 P16 -","8","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","1.54184","CuKα","","0.0404","0.0348","","","0.0909","0.0951","","","","","","1.035","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515823","14.0344","0.0009","13.358","0.0009","23.5713","0.0019","90","","95.985","0.007","90","","4394.9","0.5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H53 Fe Ni P2 -","- C56 H53 Fe Ni P2 -","- C224 H212 Fe4 Ni4 P8 -","4","0.5","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.0778","0.0475","","","0.1098","0.1246","","","","","","1.026","","","","has coordinates,has disorder","225926","2020-10-21","18:00:00",""
"4515824","10.4283","0.0005","13.6108","0.0006","19.5796","0.001","77.34","0.004","81.336","0.004","88.445","0.004","2680.5","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H67 Br Fe Ni P2 -","- C63 H67 Br Fe Ni P2 -","- C126 H134 Br2 Fe2 Ni2 P4 -","2","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.1116","0.0828","","","0.2071","0.2321","","","","","","1.019","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515825","17.4154","0.0014","17.0027","0.0015","9.3236","0.0008","90","","90","","90","","2760.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H24 N6 O4 Ru -","- C31 H24 N6 O4 Ru -","- C124 H96 N24 O16 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0344","0.0266","","","0.058","0.0607","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515826","11.7638","0.0009","16.7628","0.0011","15.8332","0.0011","90","","107.656","0.002","90","","2975.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H28 N5 O6.5 Ru -","- C28.5 H28 N5 O6.5 Ru -","- C114 H112 N20 O26 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.71073","MoKα","","0.1135","0.0632","","","0.1475","0.1761","","","","","","1.018","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515827","17.9909","0.0003","22.189","0.0004","15.3463","0.0002","90","","90","","90","","6126.24","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55 H48 Ce N15 O26 Ru2 -","- C55 H48 Ce N15 O26 Ru2 -","- C220 H192 Ce4 N60 O104 Ru8 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0388","0.0345","","","0.0888","0.0907","","","","","","1.141","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515828","22.2892","0.0009","22.2235","0.0008","15.7911","0.0007","90","","101.936","0.001","90","","7652.9","0.5","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2.778 H2.333 Cu0.111 N0.444 O0.778 S0.222 -","- C2.77778 H2.33333 Cu0.111111 N0.444444 O0.777778 S0.222222 -","- C200 H168 Cu8 N32 O56 S16 -","72","9","","Zhang, Guiyang; Yang, Huimin; Fei, Honghan","Unusual Missing Linkers in an Organosulfonate-Based Primitive‒Cubic (pcu)-Type Metal‒Organic Framework for CO2 Capture and Conversion under Ambient Conditions","ACS Catalysis","2018","8","3","2519","","10.1021/acscatal.7b04189","","","0.71073","","","0.0869","0.0746","","","","0.2079","","","","","","1.0744","","","","has coordinates","225928","2020-10-21","18:00:00",""
"4516603","9.1436","0.0015","12.0015","0.0017","15.84","0.003","67.934","0.009","82.349","0.012","77.354","0.012","1569.3","0.5","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H94 N8 O4 Si -","- C72 H94 N8 O4 Si -","- C72 H94 N8 O4 Si -","1","0.5","","Zysman-Colman, Eli; Ghosh, Sanjay S.; Xie, Guohua; Varghese, Shinto; Chowdhury, Mithun; Sharma, Nidhi; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.","Solution-Processable Silicon Phthalocyanines in Electroluminescent and Photovoltaic Devices.","ACS applied materials & interfaces","2016","8","14","9247","9253","10.1021/acsami.5b12408","","","0.71075","MoKα","","0.055","0.0396","","","0.1031","0.1107","","","","","","1.011","","","","has coordinates","239400","2020-10-21","18:00:00",""
"4516604","11.313","0.002","12.132","0.002","19.504","0.004","90.596","0.003","103.058","0.005","90.793","0.004","2607.2","0.8","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H58 N8 O4 Si -","- C62 H58 N8 O4 Si -","- C124 H116 N16 O8 Si2 -","2","1","","Zysman-Colman, Eli; Ghosh, Sanjay S.; Xie, Guohua; Varghese, Shinto; Chowdhury, Mithun; Sharma, Nidhi; Cordes, David B.; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.","Solution-Processable Silicon Phthalocyanines in Electroluminescent and Photovoltaic Devices.","ACS applied materials & interfaces","2016","8","14","9247","9253","10.1021/acsami.5b12408","","","0.71075","MoKα","","0.0631","0.0529","","","0.1425","0.1462","","","","","","1.049","","","","has coordinates","239400","2020-10-21","18:00:00",""
"4516605","11.1098","0.0005","5.7159","0.0002","13.0553","0.0005","90","","109.388","0.005","90","","782.03","0.06","99.94","0.16","99.94","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Wang, Zhiming; Gui, Chen; Zhao, Engui; Wang, Jing; Li, Xiaodong; Qin, Anjun; Zhao, Zujin; Yu, Zhenqiang; Tang, Ben Zhong","Specific Fluorescence Probes for Lipid Droplets Based on Simple AIEgens.","ACS applied materials & interfaces","2016","8","16","10193","10200","10.1021/acsami.6b01282","","x-ray","1.54184","CuKα","","0.0463","0.0398","","","0.095","0.0995","","","","","","1.003","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516606","20.379","0.008","4.7351","0.0009","31.36","0.009","90","","106.25","0.04","90","","2905.2","1.6","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","2","","Wang, Zhiming; Gui, Chen; Zhao, Engui; Wang, Jing; Li, Xiaodong; Qin, Anjun; Zhao, Zujin; Yu, Zhenqiang; Tang, Ben Zhong","Specific Fluorescence Probes for Lipid Droplets Based on Simple AIEgens.","ACS applied materials & interfaces","2016","8","16","10193","10200","10.1021/acsami.6b01282","","x-ray","1.5418","CuKα","","0.1544","0.0835","","","0.1805","0.2176","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516607","24.64","0.006","11.0769","0.0015","5.6402","0.0007","90","","93.124","0.016","90","","1537.1","0.5","295.02","0.1","295.02","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Se6 -","- C12 H6 Se6 -","- C48 H24 Se24 -","4","0.5","","Debnath, Sashi; Chithiravel, Sundaresan; Sharma, Sagar; Bedi, Anjan; Krishnamoorthy, Kothandam; Zade, Sanjio S.","Selenium-Containing Fused Bicyclic Heterocycle Diselenolodiselenole: Field Effect Transistor Study and Structure-Property Relationship.","ACS applied materials & interfaces","2016","8","28","18222","18230","10.1021/acsami.6b02154","","x-ray","0.71073","MoKα","","0.073","0.0554","","","0.139","0.1552","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516608","8.0883","0.0007","8.9204","0.0009","9.4575","0.0008","71.489","0.008","71.932","0.008","86.925","0.008","614.39","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 S Se2 -","- C12 H15 S Se2 -","- C24 H30 S2 Se4 -","2","1","","Debnath, Sashi; Chithiravel, Sundaresan; Sharma, Sagar; Bedi, Anjan; Krishnamoorthy, Kothandam; Zade, Sanjio S.","Selenium-Containing Fused Bicyclic Heterocycle Diselenolodiselenole: Field Effect Transistor Study and Structure-Property Relationship.","ACS applied materials & interfaces","2016","8","28","18222","18230","10.1021/acsami.6b02154","","x-ray","0.71073","MoKα","","0.0375","0.0315","","","0.0732","0.077","","","","","","1.04","","","","has coordinates","239403","2020-10-21","18:00:00",""
"4516609","8.65366","0.00018","11.9779","0.0002","15.9929","0.0002","68.573","0.0015","86.3419","0.0014","86.7648","0.0016","1539.01","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 F6 N4 O2 P Pt -","- C31 H31 F6 N4 O2 P Pt -","- C62 H62 F12 N8 O4 P2 Pt2 -","2","1","","Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta","White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.","ACS applied materials & interfaces","2016","8","25","16160","16169","10.1021/acsami.6b03288","","","0.71073","MoKα","","0.0324","0.0273","","","0.0553","0.0574","","","","","","1.018","","","","has coordinates","239404","2020-10-21","18:00:00",""
"4516610","17.6","0.005","10.418","0.005","18.459","0.005","90","","111.062","0.005","90","","3158","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F6 N5 O0.5 P Pt -","- C31 H31 F6 N5 O0.5 P Pt -","- C124 H124 F24 N20 O2 P4 Pt4 -","4","1","","Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta","White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.","ACS applied materials & interfaces","2016","8","25","16160","16169","10.1021/acsami.6b03288","","","0.71073","MoKα","","0.0587","0.0465","","","0.1096","0.118","","","","","","1.204","","","","has coordinates","239404","2020-10-21","18:00:00",""
"4516611","28.699","0.005","6.988","0.005","15.388","0.005","90","","90.933","0.005","90","","3086","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C27 H35 F6 N4 O P Pt -","- C27 H35 F6 N4 O P Pt -","- C108 H140 F24 N16 O4 P4 Pt4 -","4","0.5","","Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta","White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.","ACS applied materials & interfaces","2016","8","25","16160","16169","10.1021/acsami.6b03288","","","0.71073","MoKα","","0.0411","0.0331","","","0.0712","0.0743","","","","","","1.092","","","","has coordinates","239404","2020-10-21","18:00:00",""
"4516612","9.785","0.005","11.87","0.005","31.557","0.005","85.773","0.005","89.808","0.005","67.175","0.005","3368","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 F6 N4 O P Pt -","- C35 H35 F6 N4 O P Pt -","- C140 H140 F24 N16 O4 P4 Pt4 -","4","2","","Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta","White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.","ACS applied materials & interfaces","2016","8","25","16160","16169","10.1021/acsami.6b03288","","","0.71069","MoKα","","0.0586","0.0493","","","0.0977","0.1011","","","","","","1.185","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516613","15.5285","0.0007","15.7542","0.0007","15.8691","0.0007","107.604","0.004","109.573","0.004","109.808","0.004","3039.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H38 N10 O8 Zn2 -","- C51 H38 N10 O8 Zn2 -","- C102 H76 N20 O16 Zn4 -","2","1","","Chen, Di-Ming; Tian, Jia-Yue; Chen, Min; Liu, Chun-Sen; Du, Miao","Moisture-Stable Zn(II) Metal-Organic Framework as a Multifunctional Platform for Highly Efficient CO2 Capture and Nitro Pollutant Vapor Detection.","ACS applied materials & interfaces","2016","8","28","18043","18050","10.1021/acsami.6b04611","","","0.71073","MoKα","","0.1068","0.0833","","","0.2602","0.2846","","","","","","1.097","","","","has coordinates","239405","2020-10-21","18:00:00",""
"4516614","13.78","0.009","24.104","0.014","8.437","0.005","90","","104.833","0.011","90","","2709","3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C23 H19 Eu O10 -","- C23 H17 Eu O10 -","- C92 H68 Eu4 O40 -","4","0.5","","Zhao, Yan-Wu; Zhang, Fu-Qiang; Zhang, Xian-Ming","Single Component Lanthanide Hybrids Based on Metal-Organic Framework for Near-Ultraviolet White Light LED.","ACS applied materials & interfaces","2016","8","36","24123","24130","10.1021/acsami.6b07724","","","0.71","MoKα","","0.1113","0.078","","","0.2131","0.2289","","","","","","1.04","","","","has coordinates","239406","2020-10-21","18:00:00",""
"4516615","13.8044","0.0011","24.0322","0.0019","8.4465","0.0007","90","","104.521","0.002","90","","2712.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C23 H19 O10 Tb -","- C23 H17 O10 Tb -","- C92 H68 O40 Tb4 -","4","0.5","","Zhao, Yan-Wu; Zhang, Fu-Qiang; Zhang, Xian-Ming","Single Component Lanthanide Hybrids Based on Metal-Organic Framework for Near-Ultraviolet White Light LED.","ACS applied materials & interfaces","2016","8","36","24123","24130","10.1021/acsami.6b07724","","","0.71","MoKα","","0.0706","0.0578","","","0.1682","0.1743","","","","","","1.137","","","","has coordinates","239406","2020-10-21","18:00:00",""
"4516616","13.8599","0.0019","24.088","0.003","8.4281","0.0012","90","","104.557","0.002","90","","2723.5","0.6","298","2","298.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C23 H19 Gd O10 -","- C23 H15 Gd O10 -","- C92 H60 Gd4 O40 -","4","0.5","","Zhao, Yan-Wu; Zhang, Fu-Qiang; Zhang, Xian-Ming","Single Component Lanthanide Hybrids Based on Metal-Organic Framework for Near-Ultraviolet White Light LED.","ACS applied materials & interfaces","2016","8","36","24123","24130","10.1021/acsami.6b07724","","","0.71073","MoKα","","0.0595","0.0531","","","0.1603","0.1647","","","","","","1.166","","","","has coordinates","239406","2020-10-21","18:00:00",""
"4516617","13.7892","0.001","23.8999","0.0018","8.4148","0.0007","90","","104.255","0.001","90","","2687.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C23 H19 O10 Tm -","- C23 H17 O10 Tm -","- C92 H68 O40 Tm4 -","4","0.5","","Zhao, Yan-Wu; Zhang, Fu-Qiang; Zhang, Xian-Ming","Single Component Lanthanide Hybrids Based on Metal-Organic Framework for Near-Ultraviolet White Light LED.","ACS applied materials & interfaces","2016","8","36","24123","24130","10.1021/acsami.6b07724","","","0.71","MoKα","","0.064","0.0559","","","0.1648","0.1723","","","","","","1.116","","","","has coordinates","239406","2020-10-21","18:00:00",""
"4516618","15.2032","0.0006","15.2032","0.0006","46.09","0.002","90","","90","","120","","9225.9","0.7","100","2","100","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C53.25 H44 Cl9 Cr3 N10.5 O44.92 -","- C54 H44 Cl9.01 Cr3 N10.5 O45.67 -","- C162 H132 Cl27.03 Cr9 N31.5 O137.01 -","3","0.166667","","Elsaidi, Sameh K.; Mohamed, Mona H.; Loring, John S.; McGrail, Bernard Pete; Thallapally, Praveen K.","Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials.","ACS applied materials & interfaces","2016","8","42","28424","28427","10.1021/acsami.6b11116","","","1.54178","CuKα","","0.1374","0.1109","","","0.2833","0.3143","","","","","","1.061","","","","has coordinates","239407","2020-10-21","18:00:00",""
"4516619","10.0749","0.0005","31.8249","0.0016","11.4229","0.0009","90","","92.371","0.002","90","","3659.4","0.4","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C38 H30 B2 F8 Fe N6 O2 S2 -","- C38 H30 B2 F8 Fe N6 O2 S2 -","- C152 H120 B8 F32 Fe4 N24 O8 S8 -","4","0.5","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.0368","0.0307","","","0.0804","0.0826","","","","","","1.066","","","","has coordinates,has disorder","239408","2020-10-21","18:00:00",""
"4516620","12.548","0.0018","13.6595","0.0018","14.447","0.002","91.688","0.004","93.376","0.004","114.922","0.004","2237.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H30 B2 F8 Fe N6 S4 -","- C46 H30 B2 F8 Fe N6 S4 -","- C92 H60 B4 F16 Fe2 N12 S8 -","2","1","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.1451","0.0677","","","0.1665","0.1967","","","","","","1.003","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516621","12.334","0.0008","14.147","0.0009","14.7989","0.001","93.338","0.002","93.659","0.002","114.749","0.002","2330","0.3","106","2","106","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H36 B2 F8 N6 O S4 Zn -","- C49 H36 B2 F8 N6 O S4 Zn -","- C98 H72 B4 F16 N12 O2 S8 Zn2 -","2","1","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.0906","0.0495","","","0.0997","0.1113","","","","","","0.991","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516622","9.996","0.003","11.782","0.004","20.15","0.008","77.689","0.01","84.902","0.013","66.803","0.008","2131.1","1.3","106","2","106","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H30 B2 F8 Fe N6 O4 S2 -","- C42 H30 B2 F8 Fe N6 O4 S2 -","- C84 H60 B4 F16 Fe2 N12 O8 S4 -","2","1","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.2171","0.1096","","","0.2225","0.2513","","","","","","1.207","","","","has coordinates,has disorder","239411","2020-10-21","18:00:00",""
"4516623","14.0948","0.0002","14.0948","0.0002","21.151","0.0003","90","","90","","120","","3638.98","0.09","150","2","150","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C23 H23 F6 N7 Pt -","- C23 H23 F6 N7 Pt -","- C138 H138 F36 N42 Pt6 -","6","1","","Hsu, Che-Wei; Ly, Kiet Tuong; Lee, Wei-Kai; Wu, Chung-Chih; Wu, Lai-Chin; Lee, Jey-Jau; Lin, Tzu-Chieh; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun","Triboluminescence and Metal Phosphor for Organic Light-Emitting Diodes: Functional Pt(II) Complexes with Both 2-Pyridylimidazol-2-ylidene and Bipyrazolate Chelates.","ACS applied materials & interfaces","2016","8","49","33888","33898","10.1021/acsami.6b12707","","","0.71073","MoKα","","0.044","0.0296","","","0.069","0.0817","","","","","","1.16","","","","has coordinates,has disorder","239412","2020-10-21","18:00:00",""
"4516624","21.955","0.002","12.6248","0.0016","30.457","0.003","90","","90.534","0.003","90","","8441.6","1.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 F6 Ir N4 P -","- C40 H40 F6 Ir N4 P -","- C320 H320 F48 Ir8 N32 P8 -","8","2","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","1.54187","CuKα","","0.0904","0.0702","","","0.1956","0.2156","","","","","","1.105","","","","has coordinates,has disorder","239413","2020-10-21","18:00:00",""
"4516625","13.3394","0.001","13.8004","0.0012","21.779","0.0018","90","","90","","90","","4009.3","0.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl2 F6 Ir N4 P -","- C41 H42 Cl2 F6 Ir N4 P -","- C164 H168 Cl8 F24 Ir4 N16 P4 -","4","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0287","0.0267","","","0.0669","0.0801","","","","","","1.109","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516626","13.3121","0.0015","13.7139","0.0018","21.786","0.003","90","","90","","90","","3977.3","0.9","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl2 F6 Ir N4 P -","- C41 H42 Cl2 F6 Ir N4 P -","- C164 H168 Cl8 F24 Ir4 N16 P4 -","4","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0315","0.0287","","","0.0672","0.0679","","","","","","1.006","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516627","10.6642","0.0008","21.033","0.0017","12.8729","0.0011","90","","95.903","0.002","90","","2872.1","0.4","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H70 F6 Ir N4 O P -","- C62 H70 F6 Ir N4 O P -","- C124 H140 F12 Ir2 N8 O2 P2 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0388","0.0343","","","0.0827","0.084","","","","","","0.981","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516628","10.6642","0.0008","21.033","0.0017","12.8729","0.0011","90","","95.903","0.002","90","","2872.1","0.4","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H70 F6 Ir N4 O P -","- C62 H70 F6 Ir N4 O P -","- C124 H140 F12 Ir2 N8 O2 P2 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0228","0.0207","","","0.0536","0.0542","","","","","","1.032","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516629","14.58","0.002","18.408","0.003","15.474","0.0019","90","","107.193","0.003","90","","3967.5","1","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H76 Cl6 Ir2 N4 -","- C82 H76 Cl6 Ir2 N4 -","- C164 H152 Cl12 Ir4 N8 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0818","0.0561","","","0.1491","0.1669","","","","","","1.187","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516630","14.509","0.004","18.28","0.005","15.325","0.004","90","","106.596","0.005","90","","3895.2","1.8","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H76 Cl6 Ir2 N4 -","- C82 H76 Cl6 Ir2 N4 -","- C164 H152 Cl12 Ir4 N8 -","2","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0597","0.053","","","0.1461","0.1522","","","","","","1.011","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516813","12.6395","0.0004","32.5286","0.0011","12.7292","0.0004","90","","105.86","0.003","90","","5034.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H42 O3 Si -","- C22 H42 O3 Si -","- C176 H336 O24 Si8 -","8","4","","Elliott, Daniel C.; Beutler, John A.; Parker, Kathlyn A.","Importance of a 4-Alkyl Substituent for Activity in the Englerin Series.","ACS medicinal chemistry letters","2017","8","7","746","750","10.1021/acsmedchemlett.7b00161","","","0.71073","MoKα","","0.2123","0.0963","","","0.2634","0.3353","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516814","11.346","0.003","7.3426","0.0014","13.759","0.003","90","","107.79","0.02","90","","1091.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H108 O9 Si3 -","- C40 H70 O6 Si2 -","- C40 H70 O6 Si2 -","1","0.5","","Elliott, Daniel C.; Beutler, John A.; Parker, Kathlyn A.","Importance of a 4-Alkyl Substituent for Activity in the Englerin Series.","ACS medicinal chemistry letters","2017","8","7","746","750","10.1021/acsmedchemlett.7b00161","","","1.54178","CuKα","","0.1653","0.0998","","","0.292","0.3611","","","","","","1.081","","","","has coordinates","239563","2020-10-21","18:00:00",""
"4517094","8.188","0.005","8.672","0.005","14.513","0.006","90","","121.31","0.02","90","","880.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl2 N8 Ni O2 -","- C12 H16 Cl2 N8 Ni O2 -","- C24 H32 Cl4 N16 Ni2 O4 -","2","0.5","","Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Syntheses and Crystal Structures of Metal Complexes with 2,2′-Biimidazole-like Ligand and Chloride: Investigation of X−H···Cl (X = N, O, and C) Hydrogen Bonding and Cl−π (imidazolyl) Interactions","Crystal Growth & Design","2008","8","7","2282","","10.1021/cg700980v","","","0.71073","MoKα","","0.0352","0.0313","","","0.0871","0.0899","","","","","","1.001","","","","has coordinates","303212","2025-11-06","12:48:42",""
"4517095","11.0868","0.0007","11.0868","0.0007","12.7783","0.0015","90","","90","","90","","1570.7","0.2","100","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C12 H12 Cl2 N8 Zn -","- C12 H12 Cl2 N8 Zn -","- C48 H48 Cl8 N32 Zn4 -","4","0.5","","Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Syntheses and Crystal Structures of Metal Complexes with 2,2′-Biimidazole-like Ligand and Chloride: Investigation of X−H···Cl (X = N, O, and C) Hydrogen Bonding and Cl−π (imidazolyl) Interactions","Crystal Growth & Design","2008","8","7","2282","","10.1021/cg700980v","","","0.71073","MoKα","","0.0266","0.0253","","","0.0679","0.0686","","","","","","1.006","","","","has coordinates","303212","2025-11-06","12:48:53",""
"4517096","12.661","0.001","20.958","0.0017","15.4746","0.0012","90","","95.767","0.002","90","","4085.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl2 Co N12 O2 -","- C42 H34 Cl2 Co N12 O2 -","- C168 H136 Cl8 Co4 N48 O8 -","4","1","","Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Syntheses and Crystal Structures of Metal Complexes with 2,2′-Biimidazole-like Ligand and Chloride: Investigation of X−H···Cl (X = N, O, and C) Hydrogen Bonding and Cl−π (imidazolyl) Interactions","Crystal Growth & Design","2008","8","7","2282","","10.1021/cg700980v","","","0.71073","MoKα","","0.1144","0.0798","","","0.1924","0.2176","","","","","","1.001","","","","has coordinates","303212","2025-11-06","12:48:55",""
"4517486","17.261","0.002","14.564","0.002","14.563","0.003","90","","120.954","0.002","90","","3139.6","0.9","296","2","296","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O47 P V3 -","- C16 H16 Cl Cu12 Mo12 N24 O47 P V3 -","- C32 H32 Cl2 Cu24 Mo24 N48 O94 P2 V6 -","2","0.25","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.071","0.0642","","","0.1966","0.2029","","","","","","1.064","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4517487","14.5374","0.0008","14.5374","0.0008","29.782","0.003","90","","90","","90","","6294","0.8","296","2","296","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C16 H16 Cl Cu12 Mo12 N24 O42 P V2 -","- C64 H64 Cl4 Cu48 Mo48 N96 O168 P4 V8 -","4","0.5","","Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang","Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage","ACS Sustainable Chemistry & Engineering","2020","8","11","4667","4675","10.1021/acssuschemeng.0c01162","","","0.71073","MoKα","","0.108","0.0947","","","0.2358","0.245","","","","","","1.116","","","","has coordinates","257094","2020-10-21","18:00:00",""
"4517768","8.50945","0.00004","11.48583","0.00006","28.11292","0.00013","90","","90","","90","","2747.7","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Br N2 O2 -","- C30 H45 Br N2 O2 -","- C120 H180 Br4 N8 O8 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0186","0.0186","","","0.0476","0.0477","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4517769","8.25467","0.00002","13.60583","0.00004","22.29025","0.00007","90","","90","","90","","2503.45","0.012","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br N2 O3 -","- C25 H37 Br N2 O3 -","- C100 H148 Br4 N8 O12 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0166","0.0166","","","0.044","0.044","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:59:38",""
"4518049","15.7093","0.0004","11.6599","0.0003","14.4112","0.0004","90","","111.737","0.003","90","","2451.98","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cl8 N8 Pt2 S4 -","- C32 H56 Cl8 N8 Pt2 S4 -","- C64 H112 Cl16 N16 Pt4 S8 -","2","0.5","","Wang, Qi; Wang, Ning; Liu, Wenhui; Yan, Yan; Su, Hongmei; Wang, Min; Zhang, Guanju; Yang, Yanzhao","ESP‒ALIE Analysis as a Theoretical Tool for Identifying the Coordination Atoms of Possible Multisite Extractants: Validation and Prediction","ACS Sustainable Chemistry & Engineering","2020","8","38","14353","14364","10.1021/acssuschemeng.0c03934","","x-ray","1.54184","CuKα","","0.0539","0.0395","","","0.1286","0.1789","","","","","","1.197","","","","has coordinates","257095","2020-10-21","18:00:00",""
"4519516","22.022","0.011","12.477","0.006","9.648","0.005","90","","95.799","0.009","90","","2637","2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H24 Cl3 Co1.5 N12 O3 -","- C18 H24 Cl3 Co1.5 N12 O3 -","- C72 H96 Cl12 Co6 N48 O12 -","4","0.5","","Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Syntheses and Crystal Structures of Metal Complexes with 2,2'-Biimidazole-like Ligand and Chloride: Investigation of X-H···Cl (X = N, O, and C) Hydrogen Bonding and Cl-π (imidazolyl) Interactions","Crystal Growth & Design","2008","8","7","2282","2290","10.1021/cg700980v","","","0.71073","MoKα","","0.1155","0.0817","","","0.2056","0.2306","","","","","","1","","","","has coordinates","303193","2025-11-05","14:51:31",""
"4519517","13.0015","0.0012","19.2866","0.0018","25.606","0.002","90","","94.049","0.002","90","","6404.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H48 Cl2 N20 Ni2 -","- C70 H48 Cl2 N20 Ni2 -","- C280 H192 Cl8 N80 Ni8 -","4","0.5","","Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Syntheses and Crystal Structures of Metal Complexes with 2,2'-Biimidazole-like Ligand and Chloride: Investigation of X-H···Cl (X = N, O, and C) Hydrogen Bonding and Cl-π (imidazolyl) Interactions","Crystal Growth & Design","2008","8","7","2282","2290","10.1021/cg700980v","","","0.71073","MoKα","","0.0987","0.0482","","","0.0579","0.0643","","","","","","0.898","","","","has coordinates","303193","2025-11-05","14:51:39",""
"4519518","11.8831","0.0013","27.27","0.003","10.5135","0.0011","90","","91.63","0.002","90","","3405.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cl N10 Zn2 -","- C35 H22 Cl N10 Zn2 -","- C140 H88 Cl4 N40 Zn8 -","4","1","","Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui","Syntheses and Crystal Structures of Metal Complexes with 2,2'-Biimidazole-like Ligand and Chloride: Investigation of X-H···Cl (X = N, O, and C) Hydrogen Bonding and Cl-π (imidazolyl) Interactions","Crystal Growth & Design","2008","8","7","2282","2290","10.1021/cg700980v","","","0.71073","MoKα","","0.1147","0.0526","","","0.0974","0.107","","","","","","1","","","","has coordinates","303193","2025-11-05","14:51:55",""
"5000026","12.52","","5.03","","12.18","","90","","108.8","","90","","726.121","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Jensen, L. H.","The crystal structure of creatine monohydrate","Acta Crystallographica","1955","8","4","237","240","10.1107/S0365110X55000789","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:29",""
"5000227","10.251","0.003","13.447","0.004","4.764","0.001","90","","104.98","0.01","90","","634.4","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Cobalt iron nickel arsenate hydrate (2.01/0.74/0.25/2/8)","Erythrite","?","- As2 Co2.01 Fe0.7401 H32 Ni0.2499 O16 -","- As4 Co4.02 Fe1.4802 H64 Ni0.4998 O32 -","2","0.25","","Wildner, M; Giester, G; Lengauer, C L; McCammon, C A","","European Journal of Mineralogy (1,1989-)","1996","8","","187","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"6000375","8.1174","","15.1841","","19.8803","","90","","93.762","","90","","2445.07","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- C15 H30 Nd2 O18 -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid open frameworks (MIL-n). Part 4 - Synthesis and crystal structure of MIL-8, a series of lanthanide glutarates with an open framework, [Ln(H2O)](2)[O2C(CH2)(3)CO2](3).4H(2)O","Journal of Materials Chemistry","1998","8","","2737","2741","10.1039/a802713g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000376","8.2141","","18.9644","","5.2622","","90","","111.999","","90","","760.04","","","","","","","","","","","","","5","C 1 2/m 1","","","","","","- C3 H7 Gd O6 P2 -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)","Journal of Materials Chemistry","1998","8","","2749","2755","10.1039/a802715c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000377","5.2918","","15.975","","8.338","","90","","111.491","","90","","655.86","","","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C2 H5 Ga O6 P2 -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)","Journal of Materials Chemistry","1998","8","","2749","2755","10.1039/a802715c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000378","8.3271","","14.0645","","5.3489","","90","","111.433","","90","","583.12","","","","","","","","","","","","","5","C 1 2/m 1","","","","","","- C H3 O6 P2 Pr -","","","","","","Serpaggi, F.; Ferey, G.","Hybrid open frameworks (MIL-n). Part 6 - Hydrothermal synthesis and X-ray powder ab initio structure determination of MIL-11, a series of lanthanide organodiphosphonates with three-dimensional networks, Ln(III)H[O3P(CH2)(n)PO3](n = 1-3)","Journal of Materials Chemistry","1998","8","","2749","2755","10.1039/a802715c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000388","11.2728","","11.2728","","9.803","","90","","90","","90","","1245.73","","","","","","","","","","","","","3","I 41/a","","","","","","- Mn3 O8 Ta2 -","","","","","","Esmaeilzadeh, S.; Grins, J.; Fitch, A.","Determination of the fluorite related structure of Mn3Ta2O8, using synchrotron X-ray powder and electron diffraction data","Journal of Materials Chemistry","1998","8","","2493","2497","10.1039/a804938k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000423","5.5593","","5.4151","","11.773","","90","","90.144","","90","","354.42","","","","","","","","","","","","","3","P 1 21 1","","","","","","- Co3 La3 O8 -","","","","","","Hansteen, O. H.; Fjellvag, H.; Hauback, B. C.","Crystal structure, thermal and magnetic properties of La3Co3O8. Phase relations for LaCoO3-delta (0.00 <=delta <= 0.50) at 673 k","Journal of Materials Chemistry","1998","8","","2081","2088","10.1039/a801796d","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000424","5.4572","","28.553","","5.6542","","90","","90","","90","","881.03","","","","","","","","","","","","","3","P n m a","","","","","","- Co3 La4 O9 -","","","","","","Hansteen, O. H.; Fjellvag, H.; Hauback, B. C.","Crystal structure, thermal and magnetic properties of La4Co3O9. Phase relations for La4Co3O10-delta (0.00 <=delta <= 1.00) at 673 k","Journal of Materials Chemistry","1998","8","","2089","2093","10.1039/a801798k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000442","11.0763","","11.0763","","11.0763","","90","","90","","90","","1358.9","","","","","","","","","","","","","3","F d -3 m","","","","","","- Fe Mo3 N -","","","","","","Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A.","Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2)","Journal of Materials Chemistry","1998","8","","1901","1909","10.1039/a801643g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000443","11.024","","11.024","","11.024","","90","","90","","90","","1339.72","","","","","","","","","","","","","3","F d -3 m","","","","","","- Co Mo3 N -","","","","","","Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A.","Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2)","Journal of Materials Chemistry","1998","8","","1901","1909","10.1039/a801643g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000444","6.6342","","6.6342","","6.6342","","90","","90","","90","","291.99","","","","","","","","","","","","","3","P 41 3 2","","","","","","- Mo3 N Ni2 -","","","","","","Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A.","Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2)","Journal of Materials Chemistry","1998","8","","1901","1909","10.1039/a801643g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000644","14.009","","14.009","","9.386","","90","","90","","120","","1595.24","","","","","","","","","","","","","4","R 3","","","","","","- As Li O4 Zn -","","","","","","Jensen, T. R.; Norby, P.; Hanson, J. C.; Simonsen, O.; Skou, E. M.; Stein, P. C.; Boye, H. A.","Hydrothermal synthesis and crystal structure of alpha-LiZnAsO4","Journal of Materials Chemistry","1998","8","","969","975","10.1039/a707130b","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000645","5.6881","","5.6821","","8.0566","","90","","90","","90","","260.39","","","","","","","","","","","","","3","P 21 21 21","","","","","","- Nb O3 Sr0.97 -","","","","","","Peng, N. H.; Irvine, J. T. S.; Fitzgerald, A. G.","Synthesis and crystal structure of the distorted perovskite Sr0.97NbO3 determined by high resolution powder neutron diffraction","Journal of Materials Chemistry","1998","8","","1033","1038","10.1039/a708290h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000667","12.8646","","10.4374","","7.0676","","90","","90","","90","","948.99","","","","","","","","","","","","","3","P c a m","","","","","","- O23 P6 Th4 -","","","","","","Benard, P.; Brandel, V.; Dacheux, N.; Jaulmes, S.; Launay, S.; Lindecker, C.; Genet, M.; Louer, D.; Quarton, M.","Th-4(PO4)(4)P2O7, a new thorium phosphate: Synthesis, characterization, and structure determination","Chemistry of Materials","1996","8","","181","188","10.1021/cm950302d","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7119187","8.9464","0.0009","12.8728","0.0011","9.7816","0.0007","90","","95.947","0.008","90","","1120.44","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 S -","- C11 H10 N4 S -","- C44 H40 N16 S4 -","4","1","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.0492","0.0393","","","0.1026","0.11","","","","","","1.064","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119188","21.752","0.003","10.0815","0.0009","13.905","0.002","90","","124.39","0.02","90","","2516.3","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl2 Co N8 O4 -","- C22 H24 Cl2 Co N8 O4 -","- C88 H96 Cl8 Co4 N32 O16 -","4","0.5","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.055","0.0415","","","0.0951","0.1034","","","","","","1.052","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119189","10.3016","0.0006","10.5421","0.0007","14.5516","0.001","80.662","0.006","89.829","0.005","65.733","0.006","1418.01","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl Co N8 O5 S3 -","- C24 H18 Cl Co N8 O5 S3 -","- C48 H36 Cl2 Co2 N16 O10 S6 -","2","1","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.0617","0.0459","","","0.1161","0.1263","","","","","","1.031","","","","has coordinates","191693","2020-10-21","18:00:00",""
"7119190","6.1848","0.0002","13.6417","0.0003","27.9922","0.0007","90","","90","","90","","2361.74","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N4 O3 -","- C26 H25 F3 N4 O3 -","- C104 H100 F12 N16 O12 -","4","1","","Pettersson, Martin; Johnson, Douglas S.; Rankic, Danica A.; Kauffman, Gregory W.; am Ende, Christopher W.; Butler, Todd W.; Boscoe, Brian; Evrard, Edelweiss; Helal, Christopher J.; Humphrey, John M.; Stepan, Antonia F.; Stiff, Cory M.; Yang, Eddie; Xie, Longfei; Bales, Kelly R.; Hajos-Korcsok, Eva; Jenkinson, Stephen; Pettersen, Betty; Pustilnik, Leslie R.; Ramirez, David S.; Steyn, Stefanus J.; Wood, Kathleen M.; Verhoest, Patrick R.","Discovery of cyclopropyl chromane-derived pyridopyrazine-1,6-dione γ-secretase modulators with robust central efficacy","Med. Chem. Commun.","2017","8","4","730","","10.1039/C6MD00406G","","","1.54178","CuKα","","0.0476","0.0444","","","0.1073","0.1101","","","","","","1.068","","","","has coordinates,has disorder","301857","2025-08-21","22:47:33",""
"7119191","11.2699","0.0009","17.6804","0.0014","14.9326","0.0012","90","","109.088","0.003","90","","2811.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Ga I N4 O4 -","- C26 H36 Ga I N4 O4 -","- C104 H144 Ga4 I4 N16 O16 -","4","1","","Sivapackiam, Jothilingam; Harpstrite, Scott E.; Rath, Nigam P.; Sharma, Vijay","67Ga-metalloprobes: monitoring the impact of geometrical isomers on accumulation profiles in rat cardiomyoblasts and human breast carcinoma cells","Med. Chem. Commun.","2017","8","1","158","","10.1039/C6MD00474A","","","0.71073","MoKα","","0.0309","0.0228","","","0.0505","0.0534","","","","","","1.029","","","","has coordinates,has disorder","191692","2020-10-21","18:00:00",""
"7119580","10.5841","0.0002","29.3409","0.0006","22.5449","0.0006","90","","114.077","0.002","90","","6392.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(III) complex 1","","","- C20 H12 Cl5 Fe N2 O2 -","- C20 H12 Cl5 Fe N2 O2 -","- C240 H144 Cl60 Fe12 N24 O24 -","12","3","","Zou, Bi-Qun; Qin, Qi-Pin; Bai, Yu-Xia; Cao, Qian-Qian; Zhang, Ye; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Synthesis and antitumor mechanism of a new iron(iii) complex with 5,7-dichloro-2-methyl-8-quinolinol as ligands","Med. Chem. Commun.","2017","8","3","633","","10.1039/C6MD00644B","","x-ray","0.71073","MoKα","","0.0676","0.0411","","","0.0841","0.0949","","","","","","1.034","","","","has coordinates","195145","2020-10-21","18:00:00",""
"7125309","8.9953","0.0009","15.618","0.002","13.4715","0.0015","90","","103.827","0.012","90","","1837.7","0.4","293","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Rh(MQ)(DMSO)2Cl2]","rhodium(III) complex","","- C14 H20 Cl2 N O3 Rh S2 -","- C14 H20 Cl2 N O3 Rh S2 -","- C56 H80 Cl8 N4 O12 Rh4 S8 -","4","1","","Zhang, Yun-Liang; Qin, Qi-Pin; Cao, Qian-Qian; Han, Hong-Hua; Liu, Zhu-Ling; Liu, Yan-Cheng; Liang, Hong; Chen, Zhen-Feng","Synthesis, crystal structure, cytotoxicity and action mechanism of a Rh(iii) complex with 8-hydroxy-2-methylquinoline as a ligand.","MedChemComm","2017","8","1","184","190","10.1039/c6md00462h","","x-ray","0.71073","MoKα","","0.1281","0.0956","","","0.2539","0.2872","","","","","","1.0663","","","","has coordinates","234770","2020-10-21","18:00:00",""
"7153226","25.2548","0.0018","16.7371","0.0009","13.4129","0.001","90","","101.541","0.007","90","","5554.9","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C54 H46 Cl2 N4 O4 -","- C54.001 H46 Cl2 N4 O4 -","- C216.004 H184 Cl8 N16 O16 -","4","1","","Yang, Li; Qin, Song; Su, Xiaoyu; Yang, Fei; You, Jingsong; Hu, Changwei; Xie, Rugang; Lan, Jingbo","1,1'-Binaphthyl-based imidazolium chemosensors for highly selective recognition of tryptophan in aqueous solutions.","Organic & biomolecular chemistry","2010","8","2","339","348","10.1039/b908540h","","x-ray","0.71073","MoKα","","0.1068","0.0621","","","0.1277","0.1347","","","","","","1.085","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153227","6.1849","0.0008","18.082","0.002","8.9343","0.0011","90","","100.122","0.002","90","","983.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 F2 N2 O3 S -","- C8 H8 F2 N2 O3 S -","- C32 H32 F8 N8 O12 S4 -","4","1","","Zheng, Feng; Fu, Lin; Wang, Renxiao; Qing, Feng-Ling","Synthesis and conformational analysis of d-2'-deoxy-2',2'-difluoro-4'-dihydro-4'-thionucleosides.","Organic & biomolecular chemistry","2010","8","1","163","170","10.1039/b914679b","","","0.71073","MoKα","","0.0597","0.0433","","","0.111","0.1168","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153228","7.8254","0.0008","19.61","0.002","22.533","0.003","90","","90","","90","","3457.8","0.7","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Chloro-2-nitro-1-phenylpropyl)-4-methylbenzenesulfonamide","","- C16 H17 Cl N2 O4 S -","- C16 H17 Cl N2 O4 S -","- C128 H136 Cl8 N16 O32 S8 -","8","1","","Zhi, San-Jun; Sun, Hao; Zhang, Guangqian; Li, Guigen; Pan, Yi","New catalytic system for aminohalogenation of beta-methyl-beta-nitrostyrenes to give opposite regiochemistry.","Organic & biomolecular chemistry","2010","8","3","628","631","10.1039/b914944a","","","0.71073","MoKα","","0.0782","0.0563","","","0.1203","0.1251","","","","","","1.012","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153229","7.118","0.001","11.118","0.001","12.171","0.001","94.46","0.01","107.28","0.01","93.94","0.01","912.65","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 Cl2 N3 O -","- C19 H25 Cl2 N3 O -","- C38 H50 Cl4 N6 O2 -","2","1","","Kracht, Daniel; Rack, Elisabeth; Schepmann, Dirk; Fröhlich, Roland; Wünsch, Bernhard","Stereoselective synthesis and structure-affinity relationships of bicyclic kappa receptor agonists.","Organic & biomolecular chemistry","2010","8","1","212","225","10.1039/b915180j","","","1.54178","CuKα","","0.0796","0.0614","","","0.1826","0.2035","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153230","9.803","0.002","11.37","0.003","14.533","0.003","69.857","0.009","76.385","0.009","75.17","0.011","1450.6","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","2","","Voûte, Nicholas; Philp, Douglas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system.","Organic & biomolecular chemistry","2010","8","2","442","450","10.1039/b915677a","","","0.71073","MoKα","","0.0866","0.0663","","","0.1555","0.1717","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153231","11.332","0.003","17.217","0.004","7.5306","0.0019","90","","107.218","0.007","90","","1403.4","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Voûte, Nicholas; Philp, Douglas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system.","Organic & biomolecular chemistry","2010","8","2","442","450","10.1039/b915677a","","","0.71073","MoKα","","0.0593","0.051","","","0.1329","0.14","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153232","8.7486","0.0017","9.3067","0.0019","13.714","0.003","101.33","0.03","99.93","0.03","90.56","0.03","1077.3","0.4","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H21 Br N2 O -","- C26 H21 Br N2 O -","- C52 H42 Br2 N4 O2 -","2","2","","Voûte, Nicholas; Philp, Douglas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system.","Organic & biomolecular chemistry","2010","8","2","442","450","10.1039/b915677a","","","0.71073","MoKα","","0.0775","0.0621","","","0.1269","0.1376","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153233","9.5924","0.0003","12.9905","0.0003","15.0218","0.0004","90","","90","","90","","1871.87","0.09","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 Cl N O2 S -","- C19 H28 Cl N O2 S -","- C76 H112 Cl4 N4 O8 S4 -","4","1","","Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.","A detailed investigation of the aza-Prins reaction.","Organic & biomolecular chemistry","2010","8","5","1064","1080","10.1039/b915797b","","","0.71073","MoKα","","0.0516","0.0376","","","0.0826","0.0886","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153234","24.2931","0.0008","11.7455","0.0003","14.3281","0.0004","90","","105.602","0.002","90","","3937.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Cl N O2 S -","- C21 H26 Cl N O2 S -","- C168 H208 Cl8 N8 O16 S8 -","8","1","","Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.","A detailed investigation of the aza-Prins reaction.","Organic & biomolecular chemistry","2010","8","5","1064","1080","10.1039/b915797b","","","0.71073","MoKα","","0.083","0.0494","","","0.1195","0.1356","","","","","","1.062","","","","has coordinates,has disorder","301861","2025-08-22","11:12:06",""
"7153235","15.4076","0.0003","12.9924","0.0004","9.38","0.0003","90","","90","","90","","1877.7","0.09","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H28 Cl N O2 S -","- C19 H28 Cl N O2 S -","- C76 H112 Cl4 N4 O8 S4 -","4","1","","Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.","A detailed investigation of the aza-Prins reaction.","Organic & biomolecular chemistry","2010","8","5","1064","1080","10.1039/b915797b","","","0.71073","MoKα","","0.0743","0.0699","","","0.1726","0.1761","","","","","","1.074","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153236","26.5105","0.0024","8.1629","0.0004","27.3038","0.0015","90","","90.2","0.002","90","","5908.6","0.7","100","2","100","2","","","","","","","synthesis as described","5","I 1 2 1","I 2y","5","","","","- C31 H32 N4 O5 S2 -","- C31 H32 N4 O5 S2 -","- C248 H256 N32 O40 S16 -","8","2","","López, Miguel Vázquez; Bermejo, Manuel R.; Vázquez, M Eugenio; Taglietti, Angelo; Zaragoza, Guillermo; Pedrido, Rosa; Martínez-Calvo, Miguel","Sulfonamide-imines as selective fluorescent chemosensors for the fluoride anion.","Organic & biomolecular chemistry","2010","8","2","357","362","10.1039/b916040j","","x-ray","0.7107","MoKα","","0.0905","0.0561","","","0.1045","0.1147","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153237","10.4058","0.0002","19.7769","0.0004","18.4439","0.0002","90","","97.88","0.001","90","","3759.81","0.11","120","2","120","2","","","","","","","Claudia Caltagirone","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Br2 Cl4 N10 -","- C72 H94 Br2 Cl4 N10 -","- C144 H188 Br4 Cl8 N20 -","2","0.5","","Caltagirone, Claudia; Bill, Nathan L.; Gross, Dustin E.; Light, Mark E.; Sessler, Jonathan L.; Gale, Philip A.","Bis-cation salt complexation by meso-octamethylcalix[4]pyrrole: linking complexes in solution and in the solid state.","Organic & biomolecular chemistry","2010","8","1","96","99","10.1039/b916113a","","","0.71073","MoKα","","0.0673","0.0501","","","0.1137","0.1213","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153238","10.8396","0.0002","16.6349","0.0003","18.3543","0.0004","90","","105.08","0.001","90","","3195.6","0.11","120","2","120","2","","","","","","","Claudia Caltagirone","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Br2 N10 -","- C72 H94 Br2 N10 -","- C144 H188 Br4 N20 -","2","0.5","","Caltagirone, Claudia; Bill, Nathan L.; Gross, Dustin E.; Light, Mark E.; Sessler, Jonathan L.; Gale, Philip A.","Bis-cation salt complexation by meso-octamethylcalix[4]pyrrole: linking complexes in solution and in the solid state.","Organic & biomolecular chemistry","2010","8","1","96","99","10.1039/b916113a","","","0.71073","MoKα","","0.097","0.063","","","0.1066","0.12","","","","","","1.147","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153239","10.8915","0.0007","16.6068","0.0012","18.233","0.0011","90","","103.519","0.004","90","","3206.5","0.4","120","2","120","2","","","","","","","Claudia Caltagirone","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H96 Br2 N12 -","- C70 H96 Br2 N12 -","- C140 H192 Br4 N24 -","2","0.5","","Caltagirone, Claudia; Bill, Nathan L.; Gross, Dustin E.; Light, Mark E.; Sessler, Jonathan L.; Gale, Philip A.","Bis-cation salt complexation by meso-octamethylcalix[4]pyrrole: linking complexes in solution and in the solid state.","Organic & biomolecular chemistry","2010","8","1","96","99","10.1039/b916113a","","","0.71073","MoKα","","0.1118","0.0618","","","0.1107","0.1274","","","","","","0.983","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153240","16.861","0.015","4.981","0.004","16.109","0.014","90","","112.087","0.014","90","","1253.6","1.9","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C12 H20 O5 -","- C12 H20 O5 -","- C48 H80 O20 -","4","1","","Giri, Awadut G.; Mondal, Mohabul A.; Puranik, Vedavati G.; Ramana, Chepuri V.","Effect of the allylic substituents on ring closing metathesis: the total synthesis of stagonolide B and 4-epi-stagonolide B.","Organic & biomolecular chemistry","2010","8","2","398","406","10.1039/b916198h","","","0.71073","MoKα","","0.149","0.072","","","0.1554","0.1731","","","","","","0.835","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153241","8.4448","0.0011","13.4134","0.0017","16.115","0.002","90","","92.538","0.002","90","","1823.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O5 -","- C20 H16 N2 O5 -","- C80 H64 N8 O20 -","4","1","","Raveendran, Anabha E.; Paul, Rony Rajan; Suresh, Eringathodi; Nair, Vijay","Nucleophilic heterocyclic carbene as a novel catalyst for cyclopropanation of cyano acrylates.","Organic & biomolecular chemistry","2010","8","4","901","905","10.1039/b916343c","","","0.71073","MoKα","","0.099","0.0767","","","0.1648","0.1759","","","","","","1.153","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153242","11.6708","0.0009","11.6708","0.0009","8.9661","0.0014","90","","90","","120","","1057.6","0.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C42 H54 O12 S3 -","3","1","","O'Byrne, Aisling; Murray, Cian; Keegan, Dearbhla; Palacio, Carole; Evans, Paul; Morgan, Ben S.","The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone.","Organic & biomolecular chemistry","2010","8","3","539","545","10.1039/b916506a","","","0.71073","MoKα","","0.0359","0.0315","","","0.072","0.0735","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153243","7.6102","0.0009","8.2782","0.001","8.3471","0.0009","111.026","0.002","99.798","0.002","115.264","0.002","410.05","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 O5 S -","- C17 H22 O5 S -","- C17 H22 O5 S -","1","1","","O'Byrne, Aisling; Murray, Cian; Keegan, Dearbhla; Palacio, Carole; Evans, Paul; Morgan, Ben S.","The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone.","Organic & biomolecular chemistry","2010","8","3","539","545","10.1039/b916506a","","","0.71073","MoKα","","0.0397","0.0361","","","0.0809","0.0826","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153244","8.3304","0.0016","9.1897","0.0018","13.096","0.003","92.955","0.004","97.382","0.004","108.536","0.004","938.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 Cl N3 -","- C20 H22 Cl N3 -","- C40 H44 Cl2 N6 -","2","1","","Basurto, Sara; Miguel, Daniel; Moreno, Daniel; Neo, Ana G.; Quesada, Roberto; Torroba, Tomás","Simple 1-dicyanomethylene-2-chloro-3-aminoindene push-pull chromophores: applications in cation and anion sensing.","Organic & biomolecular chemistry","2010","8","3","552","558","10.1039/b916700e","","","0.71073","MoKα","","0.0874","0.0635","","","0.1733","0.1891","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153245","9.8316","0.0004","12.1236","0.0005","8.8033","0.0003","90","","92.17","0.002","90","","1048.55","0.07","298","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Acetoxy-2,6-dichloro-benzamide","N-Acetoxy-2,6-dichloro-benzamide","","- C9 H7 Cl2 N O3 -","- C9 H7 Cl2 N O3 -","- C36 H28 Cl8 N4 O12 -","4","1","","Ghosh, Harisadhan; Patel, Bhisma K.","Hypervalent iodine(III)-mediated oxidation of aldoximes to N-acetoxy or N-hydroxy amides.","Organic & biomolecular chemistry","2010","8","2","384","390","10.1039/b917096k","","","0.71073","MoKα","","0.035","0.0299","","","0.0753","0.0779","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153246","12.626","0.007","14.165","0.009","27.564","0.017","84.204","0.01","77.246","0.008","72.121","0.009","4573","5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H135 N16 O22.5 S0.5 -","- C87 H135 N16 O22.5 S0.5 -","- C174 H270 N32 O45 S -","2","1","","Edwards, Peter R.; Hiscock, Jennifer R.; Gale, Philip A.; Light, Mark E.","Carbamate complexation by urea-based receptors: studies in solution and the solid state.","Organic & biomolecular chemistry","2010","8","1","100","106","10.1039/b917140a","","","0.6889","synchrotron","","0.0854","0.0649","","","0.1813","0.1936","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153247","11.497","0.002","9.1335","0.0012","11.666","0.002","90","","101.688","0.002","90","","1199.6","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H30 O6 -","- C28 H30 O6 -","- C56 H60 O12 -","2","1","","Sadeghi-Khomami, Ali; Forcada, Tatiana J.; Wilson, Claire; Sanders, David A. R.; Thomas, Neil R.","The UDP-Galp mutase catalyzed isomerization: synthesis and evaluation of 1,4-anhydro-beta-D-galactopyranose and its [2.2.2] methylene homologue.","Organic & biomolecular chemistry","2010","8","7","1596","1602","10.1039/b917409e","","","0.71073","MoKα","","0.0412","0.0409","","","0.1006","0.101","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153248","13.6458","0.001","5.7353","0.0003","19.9386","0.0014","90","","106.548","0.008","90","","1495.82","0.18","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(6-Methoxynaphthalen-2-yl)-4H-thiochromen-4-one","","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C80 H56 O8 S4 -","4","1","","Willy, Benjamin; Frank, Walter; Müller, Thomas J J","Microwave-assisted three-component coupling-addition-S(N)Ar (CASNAR) sequences to annelated 4H-thiopyran-4-ones.","Organic & biomolecular chemistry","2010","8","1","90","95","10.1039/b917627f","","","0.71073","MoKα","","0.0618","0.0444","","","0.0903","0.093","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153249","8.2503","0.0009","22.33","0.003","10.694","0.002","90","","103.4","0.03","90","","1916.5","0.5","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Cyclopropyl-4H-thiopyrano(2,3-b)pyridin-4-one","2-Cyclopropyl-4H-thiopyrano[2,3-b]pyridin-4-one","","- C11 H9 N O S -","- C11 H9 N O S -","- C88 H72 N8 O8 S8 -","8","2","","Willy, Benjamin; Frank, Walter; Müller, Thomas J J","Microwave-assisted three-component coupling-addition-S(N)Ar (CASNAR) sequences to annelated 4H-thiopyran-4-ones.","Organic & biomolecular chemistry","2010","8","1","90","95","10.1039/b917627f","","","0.71073","MoKα","","0.1429","0.0423","","","0.0469","0.0532","","","","","","0.848","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153250","24.1936","0.0006","9.7612","0.0002","24.6066","0.0006","90","","114.902","0.001","90","","5270.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 O5 P2 -","- C24 H36 O5 P2 -","- C192 H288 O40 P16 -","8","2","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.0945","0.0518","","","0.1426","0.1586","","","","","","1.109","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153251","9.1386","0.0002","11.9523","0.0002","12.7388","0.0003","113.903","0.001","96.494","0.001","91.658","0.001","1259.64","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 O5 P2 -","- C23 H34 O5 P2 -","- C46 H68 O10 P4 -","2","1","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.0665","0.0404","","","0.1037","0.1227","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153252","20.3573","0.0004","20.3573","0.0004","31.9361","0.0012","90","","90","","120","","11461.8","0.5","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","04srv178 - HY/5/35-Fr50-r","","","- C23 H34 O5 P2 -","- C23 H34 O5 P2 -","- C414 H612 O90 P36 -","18","1","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.0637","0.0455","","","0.101","0.1088","","","","","","1.046","","","","has coordinates,has disorder","301861","2025-08-22","11:12:06",""
"7153253","8.6935","0.0007","23.972","0.002","24.195","0.002","73.726","0.005","88.844","0.005","88.865","0.005","4838.7","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 O5 P2 -","- C23 H34 O5 P2 -","- C184 H272 O40 P16 -","8","4","","Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan","A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.","Organic & biomolecular chemistry","2010","8","3","600","606","10.1039/b917737j","","","0.71073","MoKα","","0.1964","0.0698","","","0.1404","0.1694","","","","","","0.989","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153254","11.2977","0.0016","6.6557","0.0009","13.778","0.002","90","","111.676","0.013","90","","962.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","","Petrova, Tetyana; Tarabara, Igor; Palchikov, Vitaliy; Kasyan, Liliya; Kosenkov, Dmytro; Okovytyy, Sergiy; Gorb, Leonid; Shishkina, Svetlana; Shishkin, Oleg; Leszczynski, Jerzy","Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.","Organic & biomolecular chemistry","2010","8","9","2142","2157","10.1039/b917850c","","","0.71073","MoKα","","0.0402","0.0353","","","0.0954","0.0994","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153255","11.5561","0.0015","11.706","0.0016","27.578","0.003","90","","90","","90","","3730.6","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C152 H200 N8 O40 -","8","1","","Petrova, Tetyana; Tarabara, Igor; Palchikov, Vitaliy; Kasyan, Liliya; Kosenkov, Dmytro; Okovytyy, Sergiy; Gorb, Leonid; Shishkina, Svetlana; Shishkin, Oleg; Leszczynski, Jerzy","Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.","Organic & biomolecular chemistry","2010","8","9","2142","2157","10.1039/b917850c","","","0.71073","MoKα","","0.1482","0.07","","","0.1719","0.2005","","","","","","0.882","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153256","7.2192","0.0013","9.064","0.002","11.0633","0.0016","73.995","0.018","80.033","0.014","73.38","0.02","663.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C30 H28 N4 O12 -","2","1","","Petrova, Tetyana; Tarabara, Igor; Palchikov, Vitaliy; Kasyan, Liliya; Kosenkov, Dmytro; Okovytyy, Sergiy; Gorb, Leonid; Shishkina, Svetlana; Shishkin, Oleg; Leszczynski, Jerzy","Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.","Organic & biomolecular chemistry","2010","8","9","2142","2157","10.1039/b917850c","","","0.71073","MoKα","","0.0406","0.0337","","","0.0904","0.0929","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153257","21.273","0.01","17.264","0.009","38.427","0.019","90","","101.735","0.007","90","","13818","12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H84.14 Cl N29 O24.07 -","- C54 H64 Cl N29 O24.065 -","- C432 H512 Cl8 N232 O192.52 -","8","2","","McInnes, Fiona J.; Anthony, Nahoum G.; Kennedy, Alan R.; Wheate, Nial J.","Solid state stabilisation of the orally delivered drugs atenolol, glibenclamide, memantine and paracetamol through their complexation with cucurbit[7]uril.","Organic & biomolecular chemistry","2010","8","4","765","773","10.1039/b918372h","","","0.6889","synchrotron","","0.1242","0.0793","","","0.2141","0.2513","","","","","","1.043","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153258","6.9","0.002","7.365","0.002","8.819","0.002","83.78","0.02","86.06","0.02","84.78","0.02","442.9","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C16 H28 N4 O4 -","2","1","","Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique","MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach.","Organic & biomolecular chemistry","2010","8","4","864","872","10.1039/b918612c","","","0.71073","MoKα","","0.0533","0.0533","","0.0867","","0.0867","","","1.935","","","1.935","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153259","10.08","0.003","9.129","0.004","11.61","0.003","90","","112.49","0.03","90","","987.1","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N3 O5 -","- C19 H27 N3 O5 -","- C38 H54 N6 O10 -","2","1","","Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique","MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach.","Organic & biomolecular chemistry","2010","8","4","864","872","10.1039/b918612c","","","1.54178","CuKα","","0.0531","0.0531","","0.0921","","0.0921","","","1.948","","","1.948","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153260","4.9234","0.0002","9.5712","0.0002","17.319","0.0006","90","","90","","90","","816.12","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 N O4 Se -","- C7 H7 N O4 Se -","- C28 H28 N4 O16 Se4 -","4","1","","Yu, Sun-Chol; Kuhn, Hartmut; Daniliuc, Constantin-Gabriel; Ivanov, Igor; Jones, Peter G.; du Mont, Wolf-Walther","5-Selenization of salicylic acid derivatives yielded isoform-specific 5-lipoxygenase inhibitors.","Organic & biomolecular chemistry","2010","8","4","828","834","10.1039/b918778b","","","0.71073","MoKα","","0.0239","0.0195","","","0.0348","0.0351","","","","","","0.934","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153261","11.9653","0.0004","5.1029","0.0002","17.4167","0.0008","90","","110.947","0.004","90","","993.14","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O5 Se -","- C9 H10 O5 Se -","- C36 H40 O20 Se4 -","4","1","","Yu, Sun-Chol; Kuhn, Hartmut; Daniliuc, Constantin-Gabriel; Ivanov, Igor; Jones, Peter G.; du Mont, Wolf-Walther","5-Selenization of salicylic acid derivatives yielded isoform-specific 5-lipoxygenase inhibitors.","Organic & biomolecular chemistry","2010","8","4","828","834","10.1039/b918778b","","","0.71073","MoKα","","0.0299","0.0208","","","0.0456","0.0463","","","","","","0.928","","","","has coordinates,has disorder","301861","2025-08-22","11:12:06",""
"7153262","5.161","0.0002","17.4964","0.0008","10.2112","0.0006","90","","90.578","0.004","90","","922.01","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O5 Se -","- C8 H8 O5 Se -","- C32 H32 O20 Se4 -","4","1","","Yu, Sun-Chol; Kuhn, Hartmut; Daniliuc, Constantin-Gabriel; Ivanov, Igor; Jones, Peter G.; du Mont, Wolf-Walther","5-Selenization of salicylic acid derivatives yielded isoform-specific 5-lipoxygenase inhibitors.","Organic & biomolecular chemistry","2010","8","4","828","834","10.1039/b918778b","","","1.54184","CuKα","","0.025","0.0247","","","0.062","0.0621","","","","","","1.115","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153263","11.3765","0.0003","20.5459","0.0005","14.0307","0.0003","90","","108.148","0.002","90","","3116.4","0.13","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H41 F26 O5 P2 Ru Sb -","- C61 H41 F26 O5 P2 Ru Sb -","- C122 H82 F52 O10 P4 Ru2 Sb2 -","2","1","","Bădoiu, Andrei; Bernardinelli, Gerald; Besnard, Céline; Kündig, E Peter","Asymmetric ruthenium-catalyzed 1,4-additions of aryl thiols to enones.","Organic & biomolecular chemistry","2010","8","1","193","200","10.1039/b918877k","","","0.71073","MoKα","","0.0201","0.0186","","0.0382","0.0376","0.0381","","","","","","0.9849","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153264","11.3765","0.0003","20.5459","0.0005","14.0307","0.0003","90","","108.148","0.002","90","","3116.4","0.13","200","","200","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H41 F26 O5 P2 Ru Sb -","- C61 H41 F26 O5 P2 Ru Sb -","- C122 H82 F52 O10 P4 Ru2 Sb2 -","2","1","","Bădoiu, Andrei; Bernardinelli, Gerald; Besnard, Céline; Kündig, E Peter","Asymmetric ruthenium-catalyzed 1,4-additions of aryl thiols to enones.","Organic & biomolecular chemistry","2010","8","1","193","200","10.1039/b918877k","","","0.71073","MoKα","","0.0317","0.0274","","0.0652","0.0644","0.0652","","","","","","0.8884","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153265","8.11924","0.00019","10.0431","0.0002","16.0275","0.0004","90","","96.047","0.002","90","","1299.65","0.05","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl N O2 P -","- C12 H17 Cl N O2 P -","- C48 H68 Cl4 N4 O8 P4 -","4","1","","Volle, Jean-Noël; Filippini, Damien; Krawczy, Bartlomiej; Kaloyanov, Nikolay; Van der Lee, Arie; Maurice, Tangui; Pirat, Jean-Luc; Virieux, David","Drug discovery: phosphinolactone, in vivo bioisostere of the lactol group.","Organic & biomolecular chemistry","2010","8","6","1438","1444","10.1039/b919345f","","","0.71073","MoKα","","0.0373","0.0303","","0.0336","0.0304","0.0304","","","","","","1.0791","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153266","13.4636","0.001","8.4643","0.0004","12.303","0.0009","90","","113.455","0.009","90","","1286.2","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N O2 P -","- C12 H18 N O2 P -","- C48 H72 N4 O8 P4 -","4","1","","Volle, Jean-Noël; Filippini, Damien; Krawczy, Bartlomiej; Kaloyanov, Nikolay; Van der Lee, Arie; Maurice, Tangui; Pirat, Jean-Luc; Virieux, David","Drug discovery: phosphinolactone, in vivo bioisostere of the lactol group.","Organic & biomolecular chemistry","2010","8","6","1438","1444","10.1039/b919345f","","","0.7107","MoKα","","0.1011","0.0266","","0.0278","0.0274","0.0274","","","","","","1.1304","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153267","13.4738","0.0006","8.3372","0.0004","12.4129","0.0006","90","","92.615","0.004","90","","1392.94","0.11","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl N O2 P -","- C12 H17 Cl N O2 P -","- C48 H68 Cl4 N4 O8 P4 -","4","1","","Volle, Jean-Noël; Filippini, Damien; Krawczy, Bartlomiej; Kaloyanov, Nikolay; Van der Lee, Arie; Maurice, Tangui; Pirat, Jean-Luc; Virieux, David","Drug discovery: phosphinolactone, in vivo bioisostere of the lactol group.","Organic & biomolecular chemistry","2010","8","6","1438","1444","10.1039/b919345f","","","0.71073","MoKα","","0.0715","0.0432","","0.0508","0.0465","0.0465","","","","","","1.0943","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153268","15.227","0.003","15.372","0.003","16.161","0.003","90","","92.447","0.003","90","","3779.3","1.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C80 H50 S10 -","- C80 H50 S10 -","- C160 H100 S20 -","2","0.5","","Baldridge, Kim K.; Hardcastle, Kenneth I.; Seiders, T. Jon; Siegel, Jay S.","Synthesis, structure and properties of decakis(phenylthio)corannulene.","Organic & biomolecular chemistry","2010","8","1","53","55","10.1039/b919616a","","","0.71073","MoKα","","0.2242","0.0802","","","0.1485","0.1743","","","","","","1.009","","","","has coordinates,has disorder","301861","2025-08-22","11:12:06",""
"7153269","9.7798","0.0003","11.4208","0.0003","15.9407","0.0005","90","","122.215","0.001","90","","1506.37","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F6 N P -","- C16 H14 F6 N P -","- C64 H56 F24 N4 P4 -","4","1","","Swinburne, Adam N.; Paterson, Martin J.; Beeby, Andrew; Steed, Jonathan W.","A quinolinium-derived turn-off fluorescent anion sensor.","Organic & biomolecular chemistry","2010","8","5","1010","1016","10.1039/b919821k","","","0.71073","MoKα","","0.1022","0.0455","","","0.0878","0.1087","","","","","","0.995","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153270","36.354","0.007","6.0133","0.0011","16.828","0.003","90","","117.068","0.003","90","","3275.8","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C144 H168 N12 O36 -","6","1.5","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0356","0.0311","","","0.0717","0.0738","","","","","","0.985","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153271","14.072","0.0001","14.218","0.0001","22.889","0.0003","90","","90","","90","","4579.53","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C208 H256 N16 O40 -","8","2","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0587","0.0462","","","0.1115","0.1179","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:06",""
"7153272","14.1616","0.0001","14.2969","0.0001","22.8822","0.0002","90","","90","","90","","4632.89","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O6 -","- C26 H32 N2 O6 -","- C208 H256 N16 O48 -","8","2","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0603","0.055","","","0.1431","0.1461","","","","","","1.155","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153273","11.3994","0.0014","7.5273","0.0009","21.096","0.003","90","","97.767","0.002","90","","1793.6","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17.5 H21 N6 O5 -","- C17.5 H21 N6 O5 -","- C70 H84 N24 O20 -","4","2","","Dodd, David W.; Swanick, Kalen N.; Price, Jacquelyn T.; Brazeau, Allison L.; Ferguson, M. J.; Jones, Nathan D.; Hudson, Robert H. E.","Blue fluorescent deoxycytidine analogues: convergent synthesis, solid-state and electronic structure, and solvatochromism.","Organic & biomolecular chemistry","2010","8","3","663","666","10.1039/b919921g","","","0.71073","MoKα","","0.0963","0.0521","","","0.1009","0.1169","","","","","","1.034","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153274","10.423","0.002","10.23","0.003","27.358","0.006","90","","93.5","0.02","90","","2911.7","1.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(bis(2-methoxy-3-methyl-naphthyl)-isophthalate) bis(acetone) solvate","","","- C70 H60 O14 -","- C70 H60 O14 -","- C140 H120 O28 -","2","1","","Coluccini, Carmine; Dondi, Daniele; Caricato, Marco; Taglietti, Angelo; Boiocchi, Massimo; Pasini, Dario","Structurally-variable, rigid and optically-active D2 and D3 macrocycles possessing recognition properties towards C60.","Organic & biomolecular chemistry","2010","8","7","1640","1649","10.1039/b920867d","","","0.71073","MoKα","","0.147","0.0689","","","0.1588","0.198","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153275","11.4141","0.0018","20.62","0.003","12.643","0.004","90","","91.474","0.015","90","","2974.7","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis(bis(2-methoxy-3-methyl-naphthyl)-terephthalate) bis(acetone) solvate","","","- C70 H60 O14 -","- C70 H60 O14 -","- C140 H120 O28 -","2","1","","Coluccini, Carmine; Dondi, Daniele; Caricato, Marco; Taglietti, Angelo; Boiocchi, Massimo; Pasini, Dario","Structurally-variable, rigid and optically-active D2 and D3 macrocycles possessing recognition properties towards C60.","Organic & biomolecular chemistry","2010","8","7","1640","1649","10.1039/b920867d","","","0.71073","MoKα","","0.076","0.0482","","","0.1202","0.1371","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153276","8.86","0.002","8.897","0.002","13.022","0.003","90","","109.05","0.03","90","","970.3","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O10 -","- C17 H24 O10 -","- C34 H48 O20 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Bowers, Nigel I.; Coen, Gerard B.; Malone, John F.; O'Dowd, Colin R; Stevenson, Paul J.; Allen, Christopher C. R.","Chemoenzymatic synthesis of the carbasugars carba-beta-L-galactopyranose, carba-beta-L-talopyranose and carba-alpha-L-talopyranose from methyl benzoate.","Organic & biomolecular chemistry","2010","8","6","1415","1423","10.1039/b921545j","","","0.71073","MoKα","","0.0645","0.0472","","","0.1126","0.128","","","","","","0.967","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153277","6.3882","0.0001","10.3973","0.0002","18.3495","0.0004","90","","90","","90","","1218.77","0.04","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0331","0.0258","","0.0346","0.0301","0.0301","","","","","","1.1495","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153278","6.205","0.0001","11.5001","0.0003","17.0648","0.0005","90","","90","","90","","1217.71","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0398","0.0286","","0.0389","0.0331","0.0331","","","","","","1.1573","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153279","9.7159","0.0002","9.7758","0.0002","14.8253","0.0004","90","","90","","90","","1408.12","0.06","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0341","0.0303","","0.081","0.0797","0.081","","","","","","0.955","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153280","6.3467","0.0002","21.7077","0.0006","10.3198","0.0003","90","","90.9585","0.0016","90","","1421.58","0.07","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","2","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0384","0.0279","","0.0358","0.0308","0.0308","","","","","","1.1875","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153281","9.1347","0.0006","6.1641","0.0004","21.3826","0.0015","90","","98.82","0.003","90","","1189.76","0.14","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.1111","0.0822","","0.1035","0.0767","0.0767","","","","","","1.1501","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153282","6.3638","0.0001","12.4427","0.0003","15.6175","0.0004","90","","90","","90","","1236.64","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0432","0.0318","","0.0701","0.068","0.0701","","","","","","0.8107","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153283","9.9198","0.0003","10.5205","0.0004","16.677","0.0006","83.068","0.002","85.616","0.002","69.015","0.002","1612.08","0.1","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H45 I N2 -","- C35 H45 I N2 -","- C70 H90 I2 N4 -","2","1","","Knappke, Christiane E. I.; Neudörfl, Jörg M; von Wangelin, Axel Jacobi","On new N-heterocyclic carbene derived alkylidene imidazolines.","Organic & biomolecular chemistry","2010","8","7","1695","1705","10.1039/b921655c","","","0.71073","MoKα","","0.0399","0.0294","","","0.0629","0.0655","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153284","17.0042","0.0008","18.6505","0.0013","20.0765","0.0014","90","","90","","90","","6367","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H49 I N2 -","- C34 H49 I N2 -","- C272 H392 I8 N16 -","8","1","","Knappke, Christiane E. I.; Neudörfl, Jörg M; von Wangelin, Axel Jacobi","On new N-heterocyclic carbene derived alkylidene imidazolines.","Organic & biomolecular chemistry","2010","8","7","1695","1705","10.1039/b921655c","","","0.71073","MoKα","","0.2076","0.0799","","","0.2172","0.2583","","","","","","1.051","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153285","14.5466","0.0018","16.0087","0.0016","20.286","0.003","90","","128.613","0.008","90","","3691.3","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 Br N2 -","- C43 H53 Br N2 -","- C172 H212 Br4 N8 -","4","1","","Knappke, Christiane E. I.; Neudörfl, Jörg M; von Wangelin, Axel Jacobi","On new N-heterocyclic carbene derived alkylidene imidazolines.","Organic & biomolecular chemistry","2010","8","7","1695","1705","10.1039/b921655c","","","0.71073","MoKα","","0.1496","0.0581","","","0.1186","0.1393","","","","","","0.894","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153286","10.0994","0.0011","10.1912","0.0011","11.641","0.0012","91.432","0.002","94.023","0.002","95.126","0.002","1189.8","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H23 Br N2 O4 -","- C25 H23 Br N2 O4 -","- C50 H46 Br2 N4 O8 -","2","2","","Dungan, Victoria J.; Ortin, Yannick; Mueller-Bunz, Helge; Rutledge, Peter J.","Design and synthesis of a tetradentate '3-amine-1-carboxylate' ligand to mimic the metal binding environment at the non-heme iron(II) oxidase active site.","Organic & biomolecular chemistry","2010","8","7","1666","1673","10.1039/b921934j","","","0.71073","MoKα","","0.0528","0.0425","","","0.1066","0.1127","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153287","6.4808","0.0006","15.236","0.0013","15.7084","0.0014","90","","90","","90","","1551.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Dungan, Victoria J.; Ortin, Yannick; Mueller-Bunz, Helge; Rutledge, Peter J.","Design and synthesis of a tetradentate '3-amine-1-carboxylate' ligand to mimic the metal binding environment at the non-heme iron(II) oxidase active site.","Organic & biomolecular chemistry","2010","8","7","1666","1673","10.1039/b921934j","","","0.71073","MoKα","","0.0333","0.031","","","0.0767","0.0782","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153288","15.197","0.0005","14.7033","0.0005","19.8581","0.0007","90","","110.457","0.0006","90","","4157.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 B11 Cl14 O Si -","- C25 H34 B11 Cl14 O Si -","- C100 H136 B44 Cl56 O4 Si4 -","4","1","","Alder, Roger W.; Carta, Fabrizio; Reed, Christopher A.; Stoyanova, Irina; Willis, Christine L.","Searching for intermediates in Prins cyclisations: the 2-oxa-5-adamantyl carbocation.","Organic & biomolecular chemistry","2010","8","7","1551","1559","10.1039/b921957a","","","0.71073","MoKα","","0.0763","0.043","","","0.0947","0.11","","","","","","1.004","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153289","11.2327","0.0003","10.1083","0.0003","12.0414","0.0003","90","","102.797","0.002","90","","1333.26","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H27 Br N2 O7 -","- C29 H27 Br N2 O7 -","- C58 H54 Br2 N4 O14 -","2","1","","Xie, Jian-Wu; Fan, Li-Ping; Su, Hong; Li, Xin-Sheng; Xu, Dong-Cheng","Efficient kinetic resolution of racemic 3-nitro-2H-chromene derivatives catalyzed by Takemoto's organocatalyst.","Organic & biomolecular chemistry","2010","8","9","2117","2122","10.1039/b922668k","","","0.71073","MoKα","","","0.0378","","","0.0873","0.0935","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153290","12.1906","0.0008","23.251","0.002","9.9292","0.0007","90","","97.453","0.008","90","","2790.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C136 H160 N16 O8 -","8","2","","Würdemann, Martina; Christoffers, Jens","Synthesis of spirocyclic carbazole- and acridine-lactams.","Organic & biomolecular chemistry","2010","8","8","1894","1898","10.1039/b922827f","","","0.71073","MoKα","","0.1075","0.03","","","0.0418","0.0513","","","","","","0.52","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153291","43.586","0.009","5.4702","0.0012","22.829","0.005","90","","117.916","0.004","90","","4809.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H27 N O4 S -","- C26 H27 N O4 S -","- C208 H216 N8 O32 S8 -","8","1","","Nair, Vijay; Varghese, Vimal; Babu, Beneesh P.; Sinu, C. R.; Suresh, Eringathodi","A novel pseudo four component reaction involving homoenolate for the synthesis of gamma-aminobutyric acid (GABA) derivatives.","Organic & biomolecular chemistry","2010","8","4","761","764","10.1039/b922981g","","","0.71073","MoKα","","0.1986","0.165","","","0.3653","0.3815","","","","","","1.261","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153292","18.498","0.011","6.806","0.004","20.715","0.013","90","","108.307","0.011","90","","2476","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N O6 S -","- C27 H27 N O6 S -","- C108 H108 N4 O24 S4 -","4","1","","Nair, Vijay; Varghese, Vimal; Babu, Beneesh P.; Sinu, C. R.; Suresh, Eringathodi","A novel pseudo four component reaction involving homoenolate for the synthesis of gamma-aminobutyric acid (GABA) derivatives.","Organic & biomolecular chemistry","2010","8","4","761","764","10.1039/b922981g","","","0.71073","MoKα","","0.1142","0.1","","","0.1725","0.1783","","","","","","1.279","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153293","16.419","0.003","12.458","0.003","10.52","0.002","90","","90","","90","","2151.8","0.8","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H28 F3 N3 O3 S -","- C17 H28 F3 N3 O3 S -","- C68 H112 F12 N12 O12 S4 -","4","1","","Li, Dongzhen; Guang, Jie; Zhang, Wen-Xiong; Wang, Yang; Xi, Zhenfeng","Zn(OTf)(2)-catalyzed addition of amines to carbodiimides: efficient synthesis of guanidines and unpredicted formation of Zn-N amido species.","Organic & biomolecular chemistry","2010","8","8","1816","1820","10.1039/b923249b","","","0.71073","MoKα","","0.0482","0.0441","","","0.0945","0.0977","","","","","","1.082","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153294","35.199","0.005","35.199","0.005","11.268","0.002","90","","90","","90","","13961","4","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H68 F12 N4 O14 S4 Zn2 -","- C48 H68 F12 N4 O14 S4 Zn2 -","- C384 H544 F96 N32 O112 S32 Zn16 -","8","0.5","","Li, Dongzhen; Guang, Jie; Zhang, Wen-Xiong; Wang, Yang; Xi, Zhenfeng","Zn(OTf)(2)-catalyzed addition of amines to carbodiimides: efficient synthesis of guanidines and unpredicted formation of Zn-N amido species.","Organic & biomolecular chemistry","2010","8","8","1816","1820","10.1039/b923249b","","","0.71073","MoKα","","0.0681","0.0644","","","0.1956","0.1999","","","","","","1.067","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153295","7.4309","0.001","10.1138","0.0012","16.7778","0.0018","90","","90","","90","","1260.9","0.3","123.1","","123.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Hayashi, Nobuyuki; Yamamoto, Kentaro; Minowa, Nobuto; Mitomi, Masaaki; Nakada, Masahisa","Synthesis of NH006–a photostable fungicide effective against Botrytis cinerea–according to the asymmetric total synthesis of MK8383.","Organic & biomolecular chemistry","2010","8","8","1821","1825","10.1039/b924096a","","","0.71075","MoKα","","","0.0488","","","","0.1278","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153296","16.6312","0.0014","8.9394","0.0008","12.6256","0.0011","90","","90","","90","","1877.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","","","- C19 H33 N O5 -","- C19 H33 N O5 -","- C76 H132 N4 O20 -","4","1","","Renzi, Polyssena; Overgaard, Jacob; Bella, Marco","Multicomponent asymmetric reactions mediated by proline lithium salt.","Organic & biomolecular chemistry","2010","8","5","980","983","10.1039/b924158b","","x-ray","0.71073","MoKα","","0.0581","0.0502","","","0.1498","0.1536","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153297","14.466","0.004","6.5627","0.0019","12.39","0.004","90","","111.88","0.02","90","","1091.5","0.6","295","","295","2","","","","","","","see text","5","P 1 21/a 1","-P 2yab","14","Pestalactam A","","","- C10 H12 Cl N O4 -","- C10 H12 Cl N O4 -","- C40 H48 Cl4 N4 O16 -","4","1","","Davis, Rohan A.; Carroll, Anthony R.; Andrews, Katherine T.; Boyle, Glen M.; Tran, Truc Linh; Healy, Peter C.; Kalaitzis, John A.; Shivas, Roger G.","Pestalactams A-C: novel caprolactams from the endophytic fungus Pestalotiopsis sp.","Organic & biomolecular chemistry","2010","8","8","1785","1790","10.1039/b924169h","","","0.7107","MoKα","","0.0933","0.0633","","","0.1608","0.1815","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153298","5.6889","0.0013","13.461","0.003","16.663","0.004","67.393","0.004","80.926","0.005","83.493","0.004","1161.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","rka1302","","","- C24 H30 Cl N O6 S -","- C24 H30 Cl N O6 S -","- C48 H60 Cl2 N2 O12 S2 -","2","1","","Amewu, Richard; Gibbons, Peter; Mukhtar, Amira; Stachulski, Andrew V.; Ward, Stephen A.; Hall, Charlotte; Rimmer, Karen; Davies, Jill; Vivas, Livia; Bacsa, John; Mercer, Amy E.; Nixon, Gemma; Stocks, Paul A.; O'Neill, Paul M","Synthesis, in vitro and in vivo antimalarial assessment of sulfide, sulfone and vinyl amide-substituted 1,2,4-trioxanes prepared via thiol-olefin co-oxygenation (TOCO) of allylic alcohols.","Organic & biomolecular chemistry","2010","8","9","2068","2077","10.1039/b924319d","","","0.71073","MoKα","","0.0614","0.0457","","","0.0963","0.1014","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153299","18.705","0.003","7.6876","0.0013","16.257","0.003","90","","93.288","0.003","90","","2333.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","RKA269","","","- C22 H39 Cl N2 O5 -","- C22 H39 Cl N2 O5 -","- C88 H156 Cl4 N8 O20 -","4","1","","Amewu, Richard; Gibbons, Peter; Mukhtar, Amira; Stachulski, Andrew V.; Ward, Stephen A.; Hall, Charlotte; Rimmer, Karen; Davies, Jill; Vivas, Livia; Bacsa, John; Mercer, Amy E.; Nixon, Gemma; Stocks, Paul A.; O'Neill, Paul M","Synthesis, in vitro and in vivo antimalarial assessment of sulfide, sulfone and vinyl amide-substituted 1,2,4-trioxanes prepared via thiol-olefin co-oxygenation (TOCO) of allylic alcohols.","Organic & biomolecular chemistry","2010","8","9","2068","2077","10.1039/b924319d","","","0.71073","MoKα","","0.0874","0.073","","","0.1611","0.1682","","","","","","1.143","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153300","8.1709","0.001","11.1196","0.0014","15.653","0.002","76.5","0.0017","84.662","0.0019","79.07","0.0018","1356","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 N4 O8 -","- C60 H74 N4 O8 -","- C60 H74 N4 O8 -","1","0.5","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0613","0.0459","","","0.1147","0.1214","","","","","","1.054","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153301","11.6873","0.0009","15.6713","0.0012","22.2525","0.0017","69.929","0.001","82.079","0.001","72.136","0.001","3641.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.62 H62.62 Cl13.86 N4 O16 -","- C60.621 H62.621 Cl13.863 N4 O16 -","- C121.242 H125.242 Cl27.726 N8 O32 -","2","1","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.114","0.092","","","0.237","0.2518","","","","","","1.087","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153302","14.3828","0.0004","10.2429","0.0003","24.0675","0.0007","90","","98.089","0.001","90","","3510.39","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 N4 O2 -","- C46 H36 N4 O2 -","- C184 H144 N16 O8 -","4","1","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0761","0.0424","","","0.099","0.1177","","","","","","1.003","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153303","10.8723","0.0015","12.237","0.003","14.38","0.002","108.55","0.003","111.4","0.002","95.11","0.003","1642.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H74 Cl8 N4 O16 -","- C64 H74 Cl8 N4 O16 -","- C64 H74 Cl8 N4 O16 -","1","0.5","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0688","0.0509","","","0.1108","0.1216","","","","","","1.031","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153304","15.0677","0.0009","15.0677","0.0009","13.8543","0.0017","90","","90","","90","","3145.4","0.5","100","2","100","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C44 H32 N4 O -","- C44 H32 N4 O -","- C176 H128 N16 O4 -","4","0.25","","Samankumara, Lalith P.; Zeller, Matthias; Krause, Jeanette A.; Brückner, Christian","Syntheses, structures, modification, and optical properties of meso-tetraaryl-2,3-dimethoxychlorin, and two isomeric meso-tetraaryl-2,3,12,13-tetrahydroxybacteriochlorins.","Organic & biomolecular chemistry","2010","8","8","1951","1965","10.1039/b924539a","","","0.71073","MoKα","","0.0473","0.0402","","","0.1117","0.1191","","","","","","1.061","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153305","5.8692","0.0011","7.6984","0.0014","34.643","0.007","90","","94.634","0.003","90","","1560.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","1","","He, Hu; Dai, Li-Xin; You, Shu-Li","Intramolecular Michael addition reaction for the synthesis of benzylbutyrolactones.","Organic & biomolecular chemistry","2010","8","14","3207","3210","10.1039/b924770j","","","0.71073","MoKα","","0.0919","0.0607","","","0.1486","0.1601","","","","","","0.944","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153306","6.8274","0.0009","8.8266","0.0011","23.345","0.003","90","","96.661","0.002","90","","1397.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C60 H60 N4 O20 -","4","1","","He, Hu; Dai, Li-Xin; You, Shu-Li","Intramolecular Michael addition reaction for the synthesis of benzylbutyrolactones.","Organic & biomolecular chemistry","2010","8","14","3207","3210","10.1039/b924770j","","","0.71073","MoKα","","0.0808","0.0632","","","0.1538","0.1656","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153307","43.977","0.003","5.096","0.0003","8.3187","0.0006","90","","95.848","0.006","90","","1854.6","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.; Vicent, Cristian","Molecular recognition of N-protected dipeptides by pseudopeptidic macrocycles: a comparative study of the supramolecular complexes by ESI-MS and NMR.","Organic & biomolecular chemistry","2010","8","6","1329","1339","10.1039/b924981h","","","0.71073","MoKα","","0.058","0.0533","","","0.1587","0.1607","","","","","","1.151","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153308","14.556","0.002","5.8313","0.0009","33.051","0.005","90","","90","","90","","2805.4","0.7","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Se -","- C18 H16 Se -","- C144 H128 Se8 -","8","1","","Hua, Guoxiong; Henry, John B.; Li, Yang; Mount, Andrew R.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis of novel 2,5-diarylselenophenes from selenation of 1,4-diarylbutane-1,4-diones or methanol/arylacetylenes.","Organic & biomolecular chemistry","2010","8","7","1655","1660","10.1039/b924986a","","","0.71073","MoKα","","0.0821","0.056","","","0.1337","0.1478","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153309","12.377","0.002","15.318","0.002","8.3322","0.0014","90","","94.579","0.003","90","","1574.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O4 -","- C21 H14 O4 -","- C84 H56 O16 -","4","1","","Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong","A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.","Organic & biomolecular chemistry","2010","8","6","1378","1381","10.1039/b925234g","","","0.71073","MoKα","","0.073","0.047","","","0.1045","0.1152","","","","","","0.877","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153310","6.3113","0.0006","8.5733","0.0009","39.914","0.004","90","","90","","90","","2159.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 O4 -","- C29 H20 O4 -","- C116 H80 O16 -","4","1","","Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong","A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.","Organic & biomolecular chemistry","2010","8","6","1378","1381","10.1039/b925234g","","","0.71073","MoKα","","0.0547","0.0334","","","0.0587","0.0623","","","","","","0.832","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153311","14.46","0.002","7.799","0.0012","33.363","0.005","90","","90","","90","","3762.5","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 O4 -","- C26 H16 O4 -","- C208 H128 O32 -","8","1","","Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong","A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.","Organic & biomolecular chemistry","2010","8","6","1378","1381","10.1039/b925234g","","","0.71073","MoKα","","0.088","0.0581","","","0.1375","0.1509","","","","","","0.891","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153312","3.968","0.0004","10.7628","0.001","27.402","0.002","90","","91.138","0.002","90","","1170.02","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Laroche, Christophe; Li, Jing; Gonzales, Cristina; David, Wendi M.; Kerwin, Sean M.","Cyclization kinetics and biological evaluation of an anticancer 1,2-dialkynylimidazole.","Organic & biomolecular chemistry","2010","8","7","1535","1539","10.1039/b925261d","","","0.71073","MoKα","","0.141","0.046","","","0.0765","0.0922","","","","","","1.197","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153313","6.0627","0.0004","10.2605","0.0006","15.1321","0.0011","101.825","0.003","97.542","0.003","98.935","0.004","897.12","0.1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 F N5 -","- C22 H20 F N5 -","- C44 H40 F2 N10 -","2","1","","Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.","Organic & biomolecular chemistry","2010","8","8","1798","1806","10.1039/b925327k","","","0.71073","MoKα","","0.091","0.0596","","","0.1159","0.1304","","","","","","1.128","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153314","11.6203","0.0002","7.1518","0.0002","17.4558","0.0004","90","","99.36","0.001","90","","1431.37","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl F N4 -","- C17 H10 Cl F N4 -","- C68 H40 Cl4 F4 N16 -","4","1","","Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.","Organic & biomolecular chemistry","2010","8","8","1798","1806","10.1039/b925327k","","","0.71073","MoKα","","0.0597","0.04","","","0.0858","0.094","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153315","7.8896","0.0002","8.2318","0.0002","12.0308","0.0003","83.177","0.001","85.689","0.001","61.994","0.001","684.8","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br2 F N O -","- C13 H10 Br2 F N O -","- C26 H20 Br4 F2 N2 O2 -","2","1","","Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.","Organic & biomolecular chemistry","2010","8","8","1798","1806","10.1039/b925327k","","","0.71073","MoKα","","0.054","0.0443","","","0.1113","0.1188","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153316","5.5835","0.0003","8.4844","0.0004","11.9337","0.0007","105.02","0.003","93.976","0.003","104.71","0.002","522.56","0.05","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Cl F N3 O -","- C11 H7 Cl F N3 O -","- C22 H14 Cl2 F2 N6 O2 -","2","1","","Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.","The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.","Organic & biomolecular chemistry","2010","8","8","1798","1806","10.1039/b925327k","","","0.71073","MoKα","","0.0642","0.0545","","","0.1444","0.1505","","","","","","1.224","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153317","8.038","0.005","8.521","0.005","8.678","0.005","73.591","0.005","81.419","0.005","69.809","0.005","534.2","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(E)-N-(2-Methoxy-3-oxobut-1-enyl)picolinamide","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C22 H24 N4 O6 -","2","1","","Lechel, Tilman; Dash, Jyotirmayee; Eidamshaus, Christian; Brüdgam, Irene; Lentz, Dieter; Reissig, Hans-Ulrich","A three-component synthesis of beta-alkoxy-beta-keto-enamides–flexible precursors for 4-hydroxypyridine derivatives and their palladium-catalysed reactions.","Organic & biomolecular chemistry","2010","8","13","3007","3014","10.1039/b925468d","","","0.71069","MoKα","","0.0948","0.0675","","","0.1872","0.2042","","","","","","1.103","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153318","13.141","0.004","8.066","0.002","15.156","0.004","90","","90","","90","","1606.5","0.8","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(E)-2-tert-Butyl-3-methoxy-6-methyl-4-styrylpyridine","(E)-2-tert-Butyl-3-methoxy-6-methyl-4-styrylpyridine","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Lechel, Tilman; Dash, Jyotirmayee; Eidamshaus, Christian; Brüdgam, Irene; Lentz, Dieter; Reissig, Hans-Ulrich","A three-component synthesis of beta-alkoxy-beta-keto-enamides–flexible precursors for 4-hydroxypyridine derivatives and their palladium-catalysed reactions.","Organic & biomolecular chemistry","2010","8","13","3007","3014","10.1039/b925468d","","","0.71073","MoKα","","0.0364","0.0324","","","0.0852","0.0882","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153319","8.7304","0.0003","8.9046","0.0002","16.6172","0.0005","90","","90","","90","","1291.83","0.07","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0263","0.0259","","","0.0687","0.0692","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153320","9.8341","0.0004","8.8407","0.0004","11.5844","0.0006","90","","98.936","0.003","90","","994.93","0.08","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl2 N3 O3 -","- C19 H19 Cl2 N3 O3 -","- C38 H38 Cl4 N6 O6 -","2","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0715","0.0614","","","0.1745","0.1867","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153321","6.6712","0.0002","14.9403","0.0004","15.7482","0.0004","90","","90","","90","","1569.62","0.07","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0277","0.0262","","","0.0695","0.0708","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153322","6.627","0.001","13.282","0.003","10.388","0.002","90","","96.38","0.05","90","","908.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-oxo-3,4,4a,7,8,8a-hexahydro-2H-chromene-6-carbaldehyde","2-oxo-3,4,4a,7,8,8a-hexahydro-2H-chromene-6-carbaldehyde","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan","Biomimetically relevant self-condensations of C5 units derived from lysine.","Organic & biomolecular chemistry","2010","8","11","2522","2528","10.1039/b926786g","","","0.7107","MoKα","","0.0955","0.0731","","","0.1952","0.2177","","","","","","1.077","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153323","6.28","0.003","7.095","0.003","11.413","0.005","97.531","0.005","102.847","0.008","101.348","0.006","477.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C20 H32 O8 -","2","1","","Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan","Biomimetically relevant self-condensations of C5 units derived from lysine.","Organic & biomolecular chemistry","2010","8","11","2522","2528","10.1039/b926786g","","","0.71069","MoKα","","0.0963","0.0728","","","0.1837","0.2053","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153324","7.16","0.004","13.956","0.005","8.879","0.004","90","","101.312","0.005","90","","870","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(2Z,6Z)-cycloocta-2,6-diene-1,5-dicarbaldehyde","(2Z,6Z)-cycloocta-2,6-diene-1,5-dicarbaldehyde","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan","Biomimetically relevant self-condensations of C5 units derived from lysine.","Organic & biomolecular chemistry","2010","8","11","2522","2528","10.1039/b926786g","","","0.71069","MoKα","","0.0709","0.0471","","","0.1144","0.1288","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153325","11.9921","0.0015","13.0949","0.0016","20.722","0.003","72.277","0.002","75.153","0.002","67.7","0.002","2831","0.6","294","2","294","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H42 Cl8 F3 N O P2 Pd S -","- C55 H42 Cl8 F3 N O P2 Pd S -","- C110 H84 Cl16 F6 N2 O2 P4 Pd2 S2 -","2","1","","Subhas, Madavu Salian; Racharlawar, Shailesh S.; Sridhar, B.; Kennady, P. Kavin; Likhar, Pravin R.; Kantam, Mannepalli Lakshmi; Bhargava, Suresh K.","New cyclopalladated benzothiophenes: a catalyst precursor for the Suzuki coupling of deactivated aryl chlorides.","Organic & biomolecular chemistry","2010","8","13","3001","3006","10.1039/b927367k","","x-ray","0.71073","MoKα","","0.0629","0.0558","","","0.1595","0.1701","","","","","","1.042","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153326","12.5855","0.001","14.0795","0.0011","21.9701","0.0017","90","","90","","90","","3893","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O2 -","- C24 H19 Cl O2 -","- C192 H152 Cl8 O16 -","8","2","","Wu, Chunlin; Li, Wenjun; Yang, Juanjuan; Liang, Xinmiao; Ye, Jinxing","Asymmetric organocatalytic Michael addition of anthrone to enone.","Organic & biomolecular chemistry","2010","8","14","3244","3250","10.1039/b927421a","","","0.71073","MoKα","","0.0748","0.0535","","","0.144","0.1599","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153327","13.0567","0.0001","9.2544","0.0001","19.7847","0.0002","90","","100.23","","90","","2352.62","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki","Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.","Organic & biomolecular chemistry","2010","8","9","2174","2179","10.1039/c000179a","","","0.71073","MoKα","","0.0487","0.0379","","","0.0858","0.0925","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153328","12.4729","0.0012","13.3772","0.0013","13.8882","0.0013","90","","90","","90","","2317.3","0.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki","Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.","Organic & biomolecular chemistry","2010","8","9","2174","2179","10.1039/c000179a","","","0.71073","MoKα","","0.0562","0.0437","","","0.09","0.0963","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153329","9.4894","0.0018","27.726","0.005","9.0631","0.0017","90","","90","","90","","2384.5","0.8","200","","200","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki","Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.","Organic & biomolecular chemistry","2010","8","9","2174","2179","10.1039/c000179a","","","0.71073","MoKα","","0.0487","0.0371","","","0.0807","0.086","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153330","10.6005","0.0009","11.9567","0.0009","12.2672","0.0008","90","","100.851","0.002","90","","1527","0.2","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.71069","MoKα","","","0.0573","","","","0.0827","","","","","","1.618","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153331","7.868","0.001","16.732","0.003","7.761","0.001","94.34","0.01","107.74","0.01","92.45","0.01","968","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C40 H38 N2 O10 S2 -","2","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.7107","MoKα","","","0.0564","","","","0.1873","","","","","","1.288","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153332","15.4263","0.0006","7.5195","0.0003","13.4786","0.0004","90","","90","","90","","1563.49","0.1","296.2","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.7107","MoKα","","","0.0512","","","","0.1144","","","","","","1.645","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153333","14.0275","0.0019","7.7306","0.0012","18.294","0.0018","90","","103.65","0.008","90","","1927.8","0.4","296.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C80 H76 N4 O20 S4 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.71069","MoKα","","","0.0482","","","","0.0556","","","","","","1.11","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153334","6.6009","0.0001","25.4575","0.0003","13.4714","0.0002","90","","95.8569","0.0004","90","","2251.95","0.05","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 I N O3 -","- C25 H22 I N O3 -","- C100 H88 I4 N4 O12 -","4","1","","Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio","Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.","Organic & biomolecular chemistry","2010","8","9","2009","2011","10.1039/c000197j","","","0.7107","MoKα","","","0.0468","","","","0.1224","","","","","","1.941","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153335","7.888","0.0016","13.53","0.003","14.876","0.003","103.97","0.03","105.05","0.03","102.57","0.03","1419.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Fluorobenzoyl)pyrrolo[1,2-a]quinoline","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","2","","Liu, Yun; Zhang, Yan; Shen, Yong-Miao; Hu, Hong-Wen; Xu, Jian-Hua","Regioselective synthesis of 3-acylindolizines and benzo- analogues via 1,3-dipolar cycloadditions of N-ylides with maleic anhydride.","Organic & biomolecular chemistry","2010","8","10","2449","2456","10.1039/c000277a","","","0.71073","MoKα","","0.1315","0.0692","","","0.1521","0.2004","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153336","15.16","0.002","15.211","0.002","19.507","0.002","69.54","0.002","83.666","0.002","77.071","0.002","4105.1","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4,6-bispyrenoyl-myo-inositol 1,2,3,5-tetrakis(dibenzyl phosphate)","","- C96 H80 O20 P4 -","- C96 H80 O20 P4 -","- C192 H160 O40 P8 -","2","1","","Mansell, David; Rattray, Nicholas; Etchells, Laura L.; Schwalbe, Carl H.; Blake, Alexander J.; Torres, Julia; Kremer, Carlos; Bichenkova, Elena V.; Barker, Christopher J.; Freeman, Sally","Conformational analysis of the natural iron chelator myo-inositol 1,2,3-trisphosphate using a pyrene-based fluorescent mimic.","Organic & biomolecular chemistry","2010","8","12","2850","2858","10.1039/c001078b","","","0.71073","MoKα","","0.0992","0.0593","","","0.1384","0.1535","","","","","","1.033","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153337","10.0852","0.0009","10.6038","0.0009","31.868","0.003","90","","91.353","0.005","90","","3407.1","0.5","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C168 H144 Br8 N8 O24 -","8","2","","Burai, Ritwik; Ramesh, Chinnasamy; Shorty, Marvin; Curpan, Ramona; Bologa, Cristian; Sklar, Larry A.; Oprea, Tudor; Prossnitz, Eric R.; Arterburn, Jeffrey B.","Highly efficient synthesis and characterization of the GPR30-selective agonist G-1 and related tetrahydroquinoline analogs.","Organic & biomolecular chemistry","2010","8","9","2252","2259","10.1039/c001307b","","","0.71073","MoKα","","0.0835","0.0512","","","0.1143","0.125","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153338","8.9962","0.0012","5.0086","0.0007","14.409","0.0014","90","","107.466","0.008","90","","619.31","0.14","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 F3 N O2 -","- C11 H12 F3 N O2 -","- C22 H24 F6 N2 O4 -","2","1","","Milcent, Thierry; Hinks, Nathan; Bonnet-Delpon, Danièle; Crousse, Benoit","Trifluoromethyl nitrones: from fluoral to optically active hydroxylamines.","Organic & biomolecular chemistry","2010","8","13","3025","3030","10.1039/c001791d","","","0.71073","MoKα","","0.0928","0.0526","","0.1644","0.1377","0.1644","","","","","","1.0226","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153339","8.165","0.015","13.02","0.03","26.83","0.06","90","","90","","90","","2852","11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O5 -","- C31 H50 O5 -","- C124 H200 O20 -","4","1","","Yang, Xian-Wen; Li, Su-Mei; Wu, Liang; Li, Yong-Li; Feng, Lin; Shen, Yun-Heng; Tian, Jun-Mian; Tang, Jian; Wang, Ning; Liu, Yonghong; Zhang, Wei-Dong","Abiesatrines A-J: anti-inflammatory and antitumor triterpenoids from Abies georgei Orr.","Organic & biomolecular chemistry","2010","8","11","2609","2616","10.1039/c001885f","","","0.71073","MoKα","","0.2828","0.0711","","","0.1422","0.1882","","","","","","0.948","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153340","17.699","0.004","74.502","0.018","5.7208","0.0014","90","","90","","90","","7544","3","273","2","273","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H19 N S -","- C24 H19 N S -","- C384 H304 N16 S16 -","16","1","","Gao, Xun; Pan, Ying-ming; Lin, Min; Chen, Li; Zhan, Zhuang-ping","Facile one-pot synthesis of three different substituted thiazoles from propargylic alcohols.","Organic & biomolecular chemistry","2010","8","14","3259","3266","10.1039/c002093a","","","0.71073","MoKα","","0.119","0.0722","","","0.1786","0.2081","","","","","","0.943","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153341","5.53","0.0003","8.5175","0.0006","34.0903","0.0018","90","","90","","90","","1605.71","0.17","296","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","","Li, Zhao-Bo; Luo, Shu-Ping; Guo, Yi; Xia, Ai-Bao; Xu, Dan-Qian","The highly enantioselective Michael addition of ketones to nitrodienes catalyzed by the efficient organocatalyst system of pyrrolidinyl-thioimidazole and chiral thioureido acid.","Organic & biomolecular chemistry","2010","8","11","2505","2508","10.1039/c002197k","","","0.71075","MoKα","","","0.0436","","","","0.1238","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153342","9.6104","0.001","6.8695","0.0013","15.6735","0.0017","90","","92.706","0.011","90","","1033.6","0.2","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C44 H44 Cl2 N2 O10 -","2","1","","Li, Nan; Song, Jin; Tu, Xi-Feng; Liu, Bin; Chen, Xiao-Hua; Gong, Liu-Zhu","Organocatalytic asymmetric intramolecular [3+2] cycloaddition: a straightforward approach to access multiply substituted hexahydrochromeno[4,3-b]pyrrolidine derivatives in high optical purity.","Organic & biomolecular chemistry","2010","8","9","2016","2019","10.1039/c002369h","","","1.54184","CuKα","","0.0712","0.0581","","","0.1447","0.1564","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153343","11.932","0.003","11.41","0.002","14.195","0.003","90","","104.394","0.002","90","","1871.9","0.7","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","","Lei, Jie; Cui, Hai-Lei; Li, Rui; Wu, Li; Ding, Zheng-Yu; Chen, Ying-Chun","Tributyltin hydride-mediated radical cyclisation reactions: efficient construction of multiply substituted cyclopentanes.","Organic & biomolecular chemistry","2010","8","12","2840","2844","10.1039/c002378g","","","0.71073","MoKα","","0.0542","0.0423","","","0.1019","0.1092","","","","","","1","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153344","15.936","0.005","6.1614","0.001","10.962","0.003","90","","108.19","0.03","90","","1022.5","0.5","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Kissane, Marie; Lawrence, Simon E.; Maguire, Anita R.","1,3-Dipolar cycloadditions of 2-thio-3-chloroacrylamides with diazoalkanes.","Organic & biomolecular chemistry","2010","8","12","2735","2748","10.1039/c002479a","","","0.71073","MoKα","","0.117","0.0448","","","0.1038","0.1287","","","","","","0.964","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153345","10.1904","0.0008","17.615","0.0012","9.4373","0.0005","90","","90","","90","","1694","0.2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H25 N3 O5 -","- C13 H25 N3 O5 -","- C52 H100 N12 O20 -","4","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","0.71073","MoKα","","0.087","0.0552","","","0.0931","0.1011","","","","","","0.985","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153346","17.2196","0.0007","27.2811","0.0013","10.2859","0.0004","90","","90","","90","","4832","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H31 N3 O8 -","- C20 H31 N3 O8 -","- C160 H248 N24 O64 -","8","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","0.71073","MoKα","","0.072","0.0604","","","0.1629","0.1686","","","","","","1.102","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153347","17.996","0.003","10.0702","0.0011","9.3258","0.0015","90","","95.477","0.013","90","","1682.3","0.4","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 Br N O5 -","- C13 H22 Br N O5 -","- C52 H88 Br4 N4 O20 -","4","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","1.54186","CuKα","","0.0901","0.0744","","","0.205","0.2413","","","","","","1.215","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153348","8.881","0.0011","20.9682","0.0019","16.241","0.002","90","","101.327","0.01","90","","2965.5","0.6","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 N3 O10 -","- C25 H43 N3 O10 -","- C100 H172 N12 O40 -","4","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","1.54186","CuKα","","0.0984","0.066","","","0.1751","0.2198","","","","","","1.107","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153349","6.7581","0.0001","8.7934","0.0002","11.489","0.0002","86.1958","0.0016","79.7708","0.0016","83.874","0.0017","667.28","0.02","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N2 O7 Re -","- C10 H13 N2 O7 Re -","- C20 H26 N4 O14 Re2 -","2","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","0.7107","MoKα","","0.0192","0.0177","","","0.0469","0.0474","","","","","","1.064","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153350","6.286","0.001","8.661","0.002","19.599","0.004","90","","90","","90","","1067","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Methyl-4,5-dihydro-6H-pyrrolo(1,2-a)(1,4)benzodiazepin-6-one","1-Methyl-4,5-dihydro-6H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Butin, Alexander V.; Nevolina, Tatyana A.; Shcherbinin, Vitaly A.; Trushkov, Igor V.; Cheshkov, Dmitry A.; Krapivin, Gennady D.","Furan ring opening-pyrrole ring closure: a new synthetic route to aryl(heteroaryl)-annulated pyrrolo[1,2-a][1,4]diazepines.","Organic & biomolecular chemistry","2010","8","14","3316","3327","10.1039/c002994g","","","0.71073","MoKα","","0.0743","0.0208","","","0.0493","0.0547","","","","","","0.864","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153351","7.016","0.001","8.846","0.002","12.3","0.003","72.26","0.03","81.27","0.03","79.73","0.03","711.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-tert-Butyl-4,5-dihydro-6H-pyrrolo(1,2-a)(1,4)benzodiazepin- 6-one","1-tert-Butyl-4,5-dihydro-6H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C32 H36 N4 O2 -","2","1","","Butin, Alexander V.; Nevolina, Tatyana A.; Shcherbinin, Vitaly A.; Trushkov, Igor V.; Cheshkov, Dmitry A.; Krapivin, Gennady D.","Furan ring opening-pyrrole ring closure: a new synthetic route to aryl(heteroaryl)-annulated pyrrolo[1,2-a][1,4]diazepines.","Organic & biomolecular chemistry","2010","8","14","3316","3327","10.1039/c002994g","","","0.71073","MoKα","","0.0798","0.0313","","","0.0897","0.0951","","","","","","0.989","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153352","5.3436","0.0012","6.2291","0.0019","29.214","0.008","90","","90","","90","","972.4","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-3-Aminothiochromane hydrochloride","","- C9 H12 Cl N S -","- C9 H12 Cl N S -","- C36 H48 Cl4 N4 S4 -","4","1","","Mercey, Guillaume; Legay, Remi; Lohier, Jean-François; Santos, Jana Sopkova-de Oliveira; Levillain, Jocelyne; Gaumont, Annie-Claude; Gulea, Mihaela","Synthesis of 3-amino-thiochromanes from 4-benzyl 2-thiazolines, via an unprecedented intramolecular electrophilic aromatic substitution.","Organic & biomolecular chemistry","2010","8","11","2520","2521","10.1039/c003050c","","","0.71073","MoKα","","0.0413","0.0337","","","0.0809","0.0847","","","","","","1.115","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153353","5.3668","0.0011","6.2152","0.0012","29.035","0.006","90","","90","","90","","968.5","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3-Aminothiochromane hydrochloride","","- C9 H12 Cl N S -","- C9 H12 Cl N S -","- C36 H48 Cl4 N4 S4 -","4","1","","Mercey, Guillaume; Legay, Remi; Lohier, Jean-François; Santos, Jana Sopkova-de Oliveira; Levillain, Jocelyne; Gaumont, Annie-Claude; Gulea, Mihaela","Synthesis of 3-amino-thiochromanes from 4-benzyl 2-thiazolines, via an unprecedented intramolecular electrophilic aromatic substitution.","Organic & biomolecular chemistry","2010","8","11","2520","2521","10.1039/c003050c","","","0.71073","MoKα","","0.0774","0.059","","","0.1336","0.1406","","","","","","1.124","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153354","7.5708","0.0002","11.1245","0.0003","16.1074","0.0005","80.08","0.002","85.635","0.002","88.002","0.002","1332.1","0.07","123","2","123","2","","","","","","","","3","P 1","P 1","1","Cyclic 3-ketal of methyl 3-oxo-5β-cholan-24-oate with benzene-1,2-diol","","","- C31 H44 O4 -","- C31 H44 O4 -","- C62 H88 O8 -","2","2","","Ikonen, Satu; Nonappa,; Valkonen, Arto; Juvonen, Raija; Salo, Hannu; Kolehmainen, Erkki","Bile acid-derived mono- and diketals–synthesis, structural characterization and self-assembling properties.","Organic & biomolecular chemistry","2010","8","12","2784","2794","10.1039/c003228j","","","0.71073","MoKα","","0.1159","0.0728","","","0.1176","0.1341","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153355","7.5916","0.0001","11.4074","0.0002","16.0654","0.0003","97.471","0.001","102.069","0.001","95.081","0.001","1339.32","0.04","123","2","123","2","","","","","","","","3","P 1","P 1","1","Cyclic 3-ketal of 3,7,12-trioxo-5β-cholan-24-oate with benzene-1,2-diol","","","- C31 H40 O6 -","- C31 H40 O6 -","- C62 H80 O12 -","2","2","","Ikonen, Satu; Nonappa,; Valkonen, Arto; Juvonen, Raija; Salo, Hannu; Kolehmainen, Erkki","Bile acid-derived mono- and diketals–synthesis, structural characterization and self-assembling properties.","Organic & biomolecular chemistry","2010","8","12","2784","2794","10.1039/c003228j","","","0.71073","MoKα","","0.0523","0.0442","","","0.0908","0.0952","","","","","","1.041","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153356","29.4843","0.0005","6.439","0.001","12.7626","0.0002","90","","97.7664","0.0009","90","","2400.7","0.4","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","Cyclic diketal of methyl 3-oxo-5?-cholan-24-oate with pentaerythritol","","","- C55 H88 O8 -","- C55 H88 O8 -","- C110 H176 O16 -","2","0.5","","Ikonen, Satu; Nonappa,; Valkonen, Arto; Juvonen, Raija; Salo, Hannu; Kolehmainen, Erkki","Bile acid-derived mono- and diketals–synthesis, structural characterization and self-assembling properties.","Organic & biomolecular chemistry","2010","8","12","2784","2794","10.1039/c003228j","","","0.71073","MoKα","","0.0542","0.0461","","","0.1022","0.1075","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153357","26.389","0.002","26.389","0.002","23.753","0.001","90","","90","","120","","14325","1.6","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C36 H40 N6 O2 -","- C36 H33 N6 O2 -","- C648 H594 N108 O36 -","18","1","","Seillan, Claire; Marsal, Philippe; Siri, Olivier","New class of highly stable nonaromatic tautomers.","Organic & biomolecular chemistry","2010","8","17","3882","3887","10.1039/c003450a","","","0.71073","MoKα","","0.2421","0.1161","","","0.2621","0.3356","","","","","","1.022","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153358","18.931","0.001","4.4136","0.0003","22.572","0.002","90","","96.459","0.002","90","","1874","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","1","","Seillan, Claire; Marsal, Philippe; Siri, Olivier","New class of highly stable nonaromatic tautomers.","Organic & biomolecular chemistry","2010","8","17","3882","3887","10.1039/c003450a","","","0.71073","MoKα","","0.0781","0.0487","","","0.1084","0.1244","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153359","12.3141","0.0003","20.8168","0.0006","11.1136","0.0003","90","","109.158","0.002","90","","2691.08","0.13","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 -","- C38 H32 -","- C152 H128 -","4","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.0686","0.0456","","","0.1092","0.1236","","","","","","1.033","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153360","12.3446","0.0006","20.3765","0.001","10.9971","0.0006","90","","108.298","0.002","90","","2626.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C136 H112 S8 -","4","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.094","0.0629","","","0.1917","0.2253","","","","","","1.053","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153361","15.1281","0.0004","18.3334","0.0006","19.8424","0.0006","90","","90","","90","","5503.3","0.3","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H32 -","- C38 H32 -","- C304 H256 -","8","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.1146","0.073","","","0.1831","0.2103","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153362","10.3273","0.0003","14.4418","0.0004","14.7088","0.0004","66.882","0.002","70.677","0.001","82.319","0.001","1903.91","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H44 O2 -","- C50 H44 O2 -","- C100 H88 O4 -","2","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.0903","0.0499","","","0.1333","0.1673","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153363","11.866","0.0003","9.5726","0.0003","12.1209","0.0004","90","","115.349","0.0011","90","","1244.23","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Robertson, Jeremy; Feast, George C.; White, Louise V.; Steadman, Victoria A.; Claridge, Timothy D. W.","Structure and reactivity of bicyclic methylene aziridines prepared by intramolecular aziridination of allenes.","Organic & biomolecular chemistry","2010","8","13","3060","3063","10.1039/c003693e","","","0.71073","MoKα","","0.0694","0.0448","","0.1408","0.1201","0.1402","","","","","","0.9139","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153364","8.3937","0.0004","11.5174","0.0007","13.4324","0.0006","90","","100.112","0.003","90","","1278.39","0.11","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-96","1-96","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C48 H84 N4 O8 -","4","1","","Robertson, Jeremy; Feast, George C.; White, Louise V.; Steadman, Victoria A.; Claridge, Timothy D. W.","Structure and reactivity of bicyclic methylene aziridines prepared by intramolecular aziridination of allenes.","Organic & biomolecular chemistry","2010","8","13","3060","3063","10.1039/c003693e","","","0.71073","MoKα","","0.0764","0.0528","","0.1595","0.1422","0.1592","","","","","","1.0409","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153365","7.7998","0.0005","8.4873","0.0005","11.8596","0.0006","72.423","0.005","80.473","0.005","72.51","0.006","711.42","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 F3 N2 O3 -","- C16 H13 F3 N2 O3 -","- C32 H26 F6 N4 O6 -","2","1","","Stewart, Scott G.; Ghisalberti, Emilio L.; Skelton, Brian W.; Heath, Charles H.","Formation and reactions of azepino[4,5-b]indoles: an unprecedented ozone reaction in the formation of novel benzo[c]naphthyridinones.","Organic & biomolecular chemistry","2010","8","15","3563","3570","10.1039/c003742g","","","0.71073","MoKα","","0.0712","0.0451","","","0.1117","0.1197","","","","","","0.948","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153366","10.0807","0.0002","19.0872","0.0004","22.99","0.0005","90","","90","","90","","4423.56","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 N2 O4 -","- C15 H15 F3 N2 O4 -","- C180 H180 F36 N24 O48 -","12","3","","Stewart, Scott G.; Ghisalberti, Emilio L.; Skelton, Brian W.; Heath, Charles H.","Formation and reactions of azepino[4,5-b]indoles: an unprecedented ozone reaction in the formation of novel benzo[c]naphthyridinones.","Organic & biomolecular chemistry","2010","8","15","3563","3570","10.1039/c003742g","","","0.71073","MoKα","","0.051","0.0372","","","0.0768","0.0789","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153367","19.2269","0.0006","10.7806","0.0004","12.217","0.0004","90","","94.896","0.003","90","","2523.07","0.15","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","1,4-bis(19-nor-17a-ethynyltestosterone-17b-acetate)phenylene","","- C52 H60 Cl6 O6 -","- C52 H60 Cl6 O6 -","- C104 H120 Cl12 O12 -","2","0.5","","Rodríguez-Molina, Braulio; Pozos, Arturo; Cruz, Ricardo; Romero, Margarita; Flores, Blas; Farfán, Noberto; Santillan, Rosa; Garcia-Garibay, Miguel A","Synthesis and solid state characterization of molecular rotors with steroidal stators: ethisterone and norethisterone.","Organic & biomolecular chemistry","2010","8","13","2993","3000","10.1039/c003778h","","x-ray","0.71073","MoKα","","0.127","0.0644","","","0.1451","0.18","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153368","8.9326","0.0001","10.1183","0.0001","11.8959","0.0001","82.32","0.001","80.314","0.001","86.226","0.001","1049.32","0.018","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 N2 O4 Si -","- C20 H30 N2 O4 Si -","- C40 H60 N4 O8 Si2 -","2","1","","Sunnam, Sunil Kumar; Schepmann, Dirk; Wibbeling, Birgit; Wünsch, Bernhard","Bicyclic sigma receptor ligands by stereoselective Dieckmann analogous cyclization of piperazinebutyrate.","Organic & biomolecular chemistry","2010","8","16","3715","3722","10.1039/c003878d","","","1.54178","CuKα","","0.0593","0.048","","","0.1172","0.1266","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153369","9.2041","0.0017","11.356","0.002","23.799","0.005","90","","93.183","0.012","90","","2483.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Br2 N4 S -","- C24 H28 Br2 N4 S -","- C96 H112 Br8 N16 S4 -","4","1","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.1539","0.0638","","","0.117","0.1398","","","","","","0.899","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153370","9.1161","0.0006","11.1981","0.0006","22.7023","0.0013","90","","90.02","","90","","2317.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 N4 O2 S -","- C22 H24 Cl2 N4 O2 S -","- C88 H96 Cl8 N16 O8 S4 -","4","1","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.0587","0.0396","","","0.1186","0.1319","","","","","","0.842","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153371","9.5428","0.001","10.2273","0.0011","22.766","0.002","90","","96.034","0.006","90","","2209.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 S -","- C24 H30 N4 S -","- C96 H120 N16 S4 -","4","1","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.1001","0.0676","","","0.1946","0.2551","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153372","9.083","0.003","11.47","0.004","13.401","0.004","66.049","0.005","83.186","0.005","67.231","0.005","1175.3","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl N4 O2 S -","- C23 H27 Cl N4 O2 S -","- C46 H54 Cl2 N8 O4 S2 -","2","1","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.0577","0.0458","","","0.1149","0.1234","","","","","","0.851","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153373","13.2914","0.001","13.2914","0.001","18.1404","0.0013","90","","90","","120","","2775.4","0.4","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C13 H16 N2 S -","- C13 H15.6667 N2 S -","- C117 H141 N18 S9 -","9","3","","Yella, Ramesh; Murru, Siva; Ali, Abdur Rezzak; Patel, Bhisma K.","Arylthioureas with bromine or its equivalents gives no 'Hugerschoff' reaction product.","Organic & biomolecular chemistry","2010","8","15","3389","3393","10.1039/c003892j","","","0.71073","MoKα","","0.2032","0.1343","","","0.3239","0.3631","","","","","","1.099","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153374","10.949","0.003","14.354","0.003","24.633","0.005","90","","90","","90","","3871.4","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Z-(R)-BpAib-(S)-Phe-NHChx dichloromethane solvate","Z-(R)-BpAib-(S)-Phe-NHChx dichloromethane solvate","","- C40.71 H42.42 Cl1.42 N3 O5 -","- C40.712 H42.424 Cl1.424 N3 O5 -","- C162.848 H169.696 Cl5.696 N12 O20 -","4","1","","Wright, Karen; Moretto, Alessandro; Crisma, Marco; Wakselman, Michel; Mazaleyrat, Jean-Paul; Formaggio, Fernando; Toniolo, Claudio","A new tool for photoaffinity labeling studies: a partially constrained, benzophenone based, alpha-amino acid.","Organic & biomolecular chemistry","2010","8","14","3281","3286","10.1039/c003943h","","","1.54178","CuKα","","0.0874","0.0678","","","0.1916","0.207","","","","","","1.019","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153375","7.4011","0.0002","21.678","0.0006","11.5033","0.0004","90","","92.832","0.002","90","","1843.35","0.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","2","","Salma, Yahya; Ballereau, Stéphanie; Maaliki, Carine; Ladeira, Sonia; Andrieu-Abadie, Nathalie; Génisson, Yves","Flexible and enantioselective access to jaspine B and biologically active chain-modified analogues thereof.","Organic & biomolecular chemistry","2010","8","14","3227","3243","10.1039/c004218h","","","0.71073","MoKα","","0.0633","0.0439","","","0.1015","0.113","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153376","4.5326","0.0002","25.9051","0.0012","6.2404","0.0003","90","","110.523","0.003","90","","686.23","0.06","193","2","193","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Salma, Yahya; Ballereau, Stéphanie; Maaliki, Carine; Ladeira, Sonia; Andrieu-Abadie, Nathalie; Génisson, Yves","Flexible and enantioselective access to jaspine B and biologically active chain-modified analogues thereof.","Organic & biomolecular chemistry","2010","8","14","3227","3243","10.1039/c004218h","","x-ray","0.71073","MoKα","","0.0741","0.0475","","","0.1006","0.1144","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153377","12.448","0.003","6.84","0.003","13.21","0.004","90","","110.22","0.03","90","","1055.4","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Singh, Vishwakarma; Sahu, Bharat Chandra; Bansal, Varsha; Mobin, Shaikh M.","Intramolecular cycloaddition in 6,6-spiroepoxycyclohexa-2,4-dienone: simple aromatics to (+/-)-platencin.","Organic & biomolecular chemistry","2010","8","19","4472","4481","10.1039/c004316h","","","0.71073","MoKα","","0.1","0.057","","","0.0995","0.1111","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153378","6.5326","0.0019","16.022","0.007","21.032","0.006","90","","90","","90","","2201.3","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","1","","Singh, Vishwakarma; Sahu, Bharat Chandra; Bansal, Varsha; Mobin, Shaikh M.","Intramolecular cycloaddition in 6,6-spiroepoxycyclohexa-2,4-dienone: simple aromatics to (+/-)-platencin.","Organic & biomolecular chemistry","2010","8","19","4472","4481","10.1039/c004316h","","","0.71073","MoKα","","0.0834","0.0357","","","0.0793","0.0871","","","","","","0.827","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153379","10.4","0.001","11.217","0.001","27.8","0.002","90","","96.122","0.001","90","","3224.6","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Etil 2-(3-((4-Ciclohexilmetil)-1-piperazinil)-carbonil)- fenil)-8,9-dimetoxi-3-metil-5,6-dihidropirrolo(2,1-a)-isoquinolin-1- carboxilato","Etil 2-(3-{[4-Ciclohexilmetil)-1-piperazinil]-carbonil}-fenil)-8,9- dimetoxi-3-metil-5,6-dihidropirrolo[2,1-a]-isoquinolin-1-carboxilato","","- C36 H45 N3 O5 -","- C36 H45 N3 O5 -","- C144 H180 N12 O20 -","4","1","","Reyes-Gutiérrez, Paul E; Camacho, José R; Ramírez-Apan, Maria Teresa; Osornio, Yazmin M.; Martínez, Roberto","Synthesis of 5,6-dihydropyrrolo[2,1-a]isoquinolines featuring an intramolecular radical-oxidative cyclization of polysubstituted pyrroles, and evaluation of their cytotoxic activity.","Organic & biomolecular chemistry","2010","8","19","4374","4382","10.1039/c004399k","","","0.71073","MoKα","","0.1118","0.0658","","","0.1377","0.1587","","","","","","1.02","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153380","11.062","0.005","18.764","0.009","16.643","0.008","90","","102.369","0.008","90","","3374","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","t-Butyloxycarbonyl-leucyl-valyl-valyl-alpha-aminoisobutyryl-D- prolyl-leucyl-valyl-valyl-methyl ester dimethylformamide solvate","t-Butyloxycarbonyl-leucyl-valyl-valyl-alpha-aminoisobutyryl- D-prolyl-leucyl-valyl-valyl-methyl ester dimethylformamide solvate","","- C53 H98 N10 O13 -","- C53 H98 N10 O13 -","- C106 H196 N20 O26 -","2","1","","Raghavender, Upadhyayula Surya; Aravinda, Subrayashastry; Rai, Rajkishor; Shamala, Narayanaswamy; Balaram, Padmanabhan","Peptide hairpin nucleation with the obligatory Type I' beta-turn Aib-DPro segment.","Organic & biomolecular chemistry","2010","8","14","3133","3135","10.1039/c004577m","","","0.71073","MoKα","","0.29","0.0947","","","0.1734","0.2909","","","","","","0.973","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153381","16.742","0.0003","12.498","0.0004","12.076","0.0004","90","","90","","90","","2526.8","0.12","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","rhenium cyclohexanol ester","rhenium cyclohexanol ester","","- C25 H23 B F4 N3 O5 Re -","- C25 H23 B F4 N3 O5 Re -","- C100 H92 B4 F16 N12 O20 Re4 -","4","1","","Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.","Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.","Organic & biomolecular chemistry","2010","8","17","3888","3901","10.1039/c004610h","","","0.71073","MoKα","","0.0505","0.0439","","","0.0928","0.0965","","","","","","1.113","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153382","12.138","0.0003","12.156","0.0003","19.413","0.0005","90","","105.863","0.001","90","","2755.3","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","rhenium cyclohexylnicotinamide","rhenium cyclohexylnicotinamide","","- C26 H24 F3 N4 O7 Re S -","- C26 H24 F3 N4 O7 Re S -","- C104 H96 F12 N16 O28 Re4 S4 -","4","1","","Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.","Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.","Organic & biomolecular chemistry","2010","8","17","3888","3901","10.1039/c004610h","","","0.71073","MoKα","","0.0514","0.0373","","","0.0698","0.0746","","","","","","1.071","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153383","16.742","0.0003","12.076","0.0004","12.498","0.0004","90","","90","","90","","2526.8","0.12","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","re cyclohexanol ester","rhenium cyclohexanol ester","","- C26 H12.5 B F4 N3 O4 Re -","- C25.2 H15 B F4 N3 O5.3 Re -","- C100.8 H60 B4 F16 N12 O21.2 Re4 -","4","0.5","","Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.","Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.","Organic & biomolecular chemistry","2010","8","17","3888","3901","10.1039/c004610h","","","0.71073","MoKα","","0.0539","0.0474","","","0.1363","0.1535","","","","","","1.341","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153384","27.7646","0.0012","11.6104","0.0005","16.3768","0.0007","90","","123.535","0.002","90","","4400.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O10 -","- C22 H23 N O10 -","- C176 H184 N8 O80 -","8","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0464","0.0373","","","0.0972","0.1035","","","","","","0.995","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153385","5.405","0.0003","7.6853","0.0004","15.2798","0.0008","76.891","0.003","89.431","0.004","78.624","0.003","605.62","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0459","0.0425","","","0.1101","0.1129","","","","","","1.056","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153386","5.525","0.0001","17.7359","0.0002","12.5209","0.0002","90","","92.849","0.001","90","","1225.42","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0343","0.0322","","","0.0839","0.0858","","","","","","0.99","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153387","8.4527","0.0002","8.9213","0.0002","21.1061","0.0005","90","","91.61","0.001","90","","1590.96","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O6 -","- C18 H17 N O6 -","- C72 H68 N4 O24 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0331","0.0322","","","0.0806","0.0812","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153388","11.2217","0.0002","6.9177","0.0001","14.8259","0.0002","90","","106.386","0.001","90","","1104.16","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0338","0.0327","","","0.0871","0.0881","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153389","6.778","0.0001","8.5059","0.0002","19.6445","0.0004","90","","90","","90","","1132.56","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0305","0.029","","","0.0763","0.0773","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153390","7.2305","0.0004","20.6353","0.0011","8.5115","0.0005","90","","104.012","0.004","90","","1232.16","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0481","0.0407","","","0.0918","0.0959","","","","","","1.007","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153391","9.0486","0.0015","11.2654","0.0019","18.715","0.003","91.991","0.003","101.326","0.003","109.783","0.003","1749.6","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H33 F6 -","- C47 H33 F6 -","- C94 H66 F12 -","2","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0516","0.0449","","","0.115","0.1203","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153392","10.154","0.003","16.592","0.004","23.131","0.006","90","","90","","90","","3897","1.8","100","2","100","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C50 H40 F6 -","- C44 H26 F6 -","- C176 H104 F24 -","4","0.5","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0633","0.0526","","","0.1311","0.1361","","","","","","1.031","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153393","10.118","0.003","16.177","0.004","22.818","0.006","110.541","0.004","97.597","0.005","94.218","0.005","3437.6","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C177 H106 Cl2 F24 -","- C177 H106 Cl2 F24 -","- C177 H106 Cl2 F24 -","1","0.5","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0622","0.0443","","","0.1086","0.1205","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153394","4.6169","0.0007","19.62","0.003","17.062","0.002","90","","92.789","0.003","90","","1543.7","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 -","- C23 H16 -","- C92 H64 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0465","0.037","","","0.0851","0.0915","","","","","","1.041","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153395","6.1828","0.0008","9.6681","0.0012","27.58","0.004","90","","90","","90","","1648.6","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Br -","- C23 H15 Br -","- C92 H60 Br4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0386","0.0362","","","0.0897","0.0914","","","","","","1.11","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153396","6.8227","0.0007","9.1562","0.001","25.406","0.003","90","","90","","90","","1587.1","0.3","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 -","- C23 H16 -","- C92 H64 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0321","0.0288","","","0.0658","0.0674","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153397","10.3403","0.0012","15.2026","0.0018","11.2081","0.0013","90","","106.127","0.002","90","","1692.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br -","- C23 H17 Br -","- C92 H68 Br4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0383","0.0303","","","0.0748","0.0801","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153398","24.337","0.003","5.7025","0.0007","28.668","0.003","90","","99.404","0.002","90","","3925.1","0.8","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 -","- C29 H20 -","- C232 H160 -","8","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0479","0.0381","","","0.0865","0.0922","","","","","","1.041","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153399","10.334","0.007","8.9","0.005","20.175","0.013","90","","100.49","0.013","90","","1825","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F3 O -","- C24 H15 F3 O -","- C96 H60 F12 O4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0471","0.0385","","","0.1001","0.108","","","","","","1.04","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153400","19.553","0.003","28.605","0.005","5.3564","0.0009","90","","90","","90","","2995.9","0.9","100","2","100","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C23 H16 -","- C23 H16 -","- C184 H128 -","8","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0505","0.0418","","","0.0956","0.0991","","","","","","1.128","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153401","9.4052","0.0011","14.5518","0.0017","14.8501","0.0017","110.752","0.002","107.181","0.002","99.085","0.002","1735.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H27 F6 N O2 -","- C49 H27 F6 N O2 -","- C98 H54 F12 N2 O4 -","2","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0616","0.0486","","","0.129","0.1363","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153402","16.2272","0.0001","9.46594","0.00008","11.59176","0.00007","90","","90","","90","","1780.56","0.02","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H19 Br Si -","- C20 H19 Br Si -","- C80 H76 Br4 Si4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","1.54184","CuKα","","0.0305","0.0305","","","0.0839","0.0839","","","","","","1.088","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153403","23.3363","0.0009","23.3363","0.0009","12.2187","0.0005","90","","90","","120","","5762.6","0.4","173","2","173","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C86 H96 N10 -","- C86 H96.06 N10 -","- C258 H288.18 N30 -","3","0.333333","","Savoia, Diego; Gualandi, Andrea; Stoeckli-Evans, Helen","Stereoselective synthesis of ring C-hexasubstituted trianglamines.","Organic & biomolecular chemistry","2010","8","17","3992","3996","10.1039/c004873a","","","0.71073","MoKα","","0.0533","0.0472","","","0.1177","0.1206","","","","","","1.076","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153404","10.348","0.002","21.379","0.004","9.921","0.002","90","","111.7","0.03","90","","2039.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 I N2 O4 -","- C23 H15 I N2 O4 -","- C92 H60 I4 N8 O16 -","4","1","","Fei, Na; Hou, Qiwen; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Azaanthraquinone assembly from N-propargylamino quinone via iodine-induced 6-endo-dig electrophilic cyclization.","Organic & biomolecular chemistry","2010","8","18","4096","4103","10.1039/c004896h","","","0.71073","MoKα","","0.0785","0.0554","","","0.1339","0.1508","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153405","5.4734","0.0006","9.0484","0.001","14.9986","0.0018","83.446","0.005","89.906","0.005","89.581","0.004","737.94","0.15","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C2.33 H3.33 O0.33 S0.17 -","- C2.33333 H3.33333 O0.333333 S0.166667 -","- C28 H40 O4 S2 -","12","12","","Fang, Zhao; Zhou, Chao; Fu, Chunling; Ma, Shengming","Studies on highly regio- and stereoselective hydration of 1,2-allenylic sulfoxides.","Organic & biomolecular chemistry","2010","8","20","4554","4561","10.1039/c0ob00007h","","","0.71073","MoKα","","0.1844","0.0464","","","0.0959","0.117","","","","","","1.106","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153406","8.9143","0.001","6.083","0.0007","13.2938","0.0015","90","","93.159","0.003","90","","719.77","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C28 H40 O4 S2 -","2","1","","Fang, Zhao; Zhou, Chao; Fu, Chunling; Ma, Shengming","Studies on highly regio- and stereoselective hydration of 1,2-allenylic sulfoxides.","Organic & biomolecular chemistry","2010","8","20","4554","4561","10.1039/c0ob00007h","","","0.71073","MoKα","","0.0475","0.0415","","","0.1021","0.1081","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153407","12.014","0.007","12.413","0.005","13.062","0.007","70.46","0.03","85.28","0.03","73.53","0.02","1760.3","1.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H44 N4 O4 -","- C41 H44 N4 O4 -","- C82 H88 N8 O8 -","2","1","","Zhao, Yun; Sun, Yue; Lv, Xin; Liu, Yunlong; Chen, Maliang; Guo, Wei","Rhodamine-based chemosensor for Hg(2+) in aqueous solution with a broad pH range and its application in live cell imaging.","Organic & biomolecular chemistry","2010","8","18","4143","4147","10.1039/c0ob00013b","","","0.71073","MoKα","","0.0733","0.0516","","","0.1237","0.1324","","","","","","1.075","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153408","23.441","0.006","6.2204","0.0015","18.816","0.005","90","","98.452","0.004","90","","2713.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cl N3 O -","- C15 H12 Cl N3 O -","- C120 H96 Cl8 N24 O8 -","8","1","","Dong, Chune; Xie, Lingli; Mou, Xiaohong; Zhong, Yashan; Su, Wei","Facile synthesis of 1,3,4-benzotriazepines and 1-arylamide-1H-indazoles via palladium-catalyzed cyclization of aryl isocyanates and aryl hydrazones under microwave irradiation.","Organic & biomolecular chemistry","2010","8","21","4827","4830","10.1039/c0ob00021c","","","0.71073","MoKα","","0.0394","0.0329","","","0.0866","0.0923","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153409","9.0612","0.0002","11.8489","0.0002","28.6964","0.0005","90","","98.513","0.001","90","","3047.05","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O11 S3 -","- C28 H32 N2 O11 S3 -","- C112 H128 N8 O44 S12 -","4","1","","Anderson, Tom W.; Sanders, Jeremy K. M.; Pantoş, G Dan","The sergeants-and-soldiers effect: chiral amplification in naphthalenediimide nanotubes.","Organic & biomolecular chemistry","2010","8","19","4274","4280","10.1039/c0ob00027b","","","0.71073","MoKα","","0.0721","0.0631","","","0.1676","0.1758","","","","","","1.052","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153410","9.42","0.004","12.575","0.005","14.778","0.006","70.802","0.018","82.598","0.016","67.874","0.015","1531.4","1.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 B N2 O4 -","- C37 H37 B N2 O4 -","- C74 H74 B2 N4 O8 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0546","0.047","","","0.1553","0.164","","","","","","1.34","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153411","11.512","0.005","14.056","0.004","11.554","0.004","90","","99.314","0.016","90","","1844.9","1.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 B N2 O2 -","- C23 H19 B N2 O2 -","- C92 H76 B4 N8 O8 -","4","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0494","0.0403","","","0.1029","0.1083","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153412","22.3","0.009","17.053","0.008","21.385","0.007","90","","90","","90","","8132","6","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C31 H35 B N2 O2 -","- C31 H35 B N2 O2 -","- C372 H420 B12 N24 O24 -","12","1.5","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.1893","0.0855","","","0.1428","0.174","","","","","","1.048","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153413","9.575","0.003","16.463","0.006","19.426","0.005","97.835","0.012","100.782","0.011","98.801","0.014","2929.5","1.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H33 B I2 N2 O2 -","- C31 H33 B I2 N2 O2 -","- C124 H132 B4 I8 N8 O8 -","4","2","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0417","0.0308","","","0.0772","0.0873","","","","","","1.053","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153414","11.615","0.004","13.859","0.005","20.323","0.007","73.013","0.014","79.998","0.012","79.432","0.014","3050.4","1.9","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 B Cl2 N2 O2 -","- C36 H29 B Cl2 N2 O2 -","- C144 H116 B4 Cl8 N8 O8 -","4","2","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.1296","0.0448","","","0.1219","0.1625","","","","","","0.906","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153415","10.102","0.002","18.284","0.005","18.278","0.004","90","","95.046","0.01","90","","3363","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 B N2 O4 -","- C41 H39 B N2 O4 -","- C164 H156 B4 N8 O16 -","4","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0681","0.0445","","","0.1032","0.1117","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153416","9.827","0.004","11.506","0.003","15.784","0.005","78.919","0.011","88.635","0.014","77.553","0.013","1710","1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H43 B N2 O2 -","- C43 H43 B N2 O2 -","- C86 H86 B2 N4 O4 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0946","0.0536","","","0.1221","0.147","","","","","","1.053","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153417","12.662","0.003","16.559","0.003","19.055","0.004","90","","107.376","0.009","90","","3812.9","1.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H55 B Br N3 O2 -","- C39 H55 B Br N3 O2 -","- C156 H220 B4 Br4 N12 O8 -","4","2","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.16","0.0737","","","0.1593","0.1951","","","","","","1.026","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153418","9.031","0.002","13.255","0.005","19.555","0.006","96.453","0.013","90.315","0.011","106.498","0.011","2228.5","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H71 B Br N3 O2 -","- C47 H71 B Br N3 O2 -","- C94 H142 B2 Br2 N6 O4 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0703","0.0631","","","0.1646","0.1711","","","","","","1.165","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153419","13.723","0.003","14.488","0.002","23.592","0.005","90","","103.643","0.008","90","","4558.2","1.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H63 B Br N3 O2 -","- C51 H63 B Br N3 O2 -","- C204 H252 B4 Br4 N12 O8 -","4","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.1549","0.1291","","","0.3975","0.4262","","","","","","1.795","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153420","8.475","0.003","23.006","0.006","13.458","0.003","90","","98.08","0.01","90","","2597.9","1.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H79 B Cl N3 O2 -","- C59 H79 B Cl N3 O2 -","- C118 H158 B2 Cl2 N6 O4 -","2","1","","Maeda, Hiromitsu; Takayama, Mayumi; Kobayashi, Kazuki; Shinmori, Hideyuki","Modification at a boron unit: tuning electronic and optical properties of pi-conjugated acyclic anion receptors.","Organic & biomolecular chemistry","2010","8","19","4308","4315","10.1039/c0ob00044b","","","0.71075","MoKα","","0.0581","0.0441","","","0.0957","0.1019","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153421","9.5396","0.0019","10.212","0.002","13.104","0.003","88.49","0.03","80.93","0.03","63.76","0.03","1129.3","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C50 H56 N4 O12 -","2","2","","Nugent, Thomas C.; Umar, M. Naveed; Bibi, Ahtaram","Picolylamine as an organocatalyst template for highly diastereo- and enantioselective aqueous aldol reactions.","Organic & biomolecular chemistry","2010","8","18","4085","4089","10.1039/c0ob00049c","","","0.71073","MoKα","","0.0391","0.0334","","","0.0753","0.0772","","","","","","0.983","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153422","13.4071","0.0014","12.1653","0.0009","16.2492","0.0017","90","","109.414","0.011","90","","2499.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 O Si -","- C29 H38 O Si -","- C116 H152 O4 Si4 -","4","1","","Schmidt, Arndt W.; Olpp, Thomas; Baum, Elke; Stiffel, Tina; Knölker, Hans-Joachim","Organosilicon-mediated total synthesis of the triquinane sesquiterpenes (±)-β-isocomene and (±)-isocomene.","Organic & biomolecular chemistry","2010","8","20","4562","4568","10.1039/c0ob00051e","","","0.71073","MoKα","","0.057","0.0481","","","0.1275","0.1316","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153423","9.0724","0.0004","9.7915","0.0004","14.0849","0.0007","89.657","0.003","77.662","0.004","82.933","0.003","1212.75","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","2","","Shanbhag, Pramod; Nareddy, Pradeep R.; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Rauhut-Currier type homo- and heterocouplings involving nitroalkenes and nitrodienes.","Organic & biomolecular chemistry","2010","8","21","4867","4873","10.1039/c0ob00062k","","","0.71073","MoKα","","0.0594","0.0374","","","0.0818","0.0922","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153424","10.0252","0.0006","6.6763","0.0004","20.0548","0.0012","90","","93.224","0.001","90","","1340.17","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Ravelli, Davide; Zema, Michele; Mella, Mariella; Fagnoni, Maurizio; Albini, Angelo","Benzoyl radicals from (hetero)aromatic aldehydes. Decatungstate photocatalyzed synthesis of substituted aromatic ketones.","Organic & biomolecular chemistry","2010","8","18","4158","4164","10.1039/c0ob00066c","","","0.71073","MoKα","","0.1102","0.0581","","","0.1253","0.1469","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153425","9.64","0.0004","5.6225","0.0002","17.8376","0.0007","90","","100.381","0.002","90","","950.99","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N4 O -","- C11 H8 N4 O -","- C44 H32 N16 O4 -","4","1","","Gaywood, Alexander P.; McNab, Hamish","3-Hydroxypyrrolo[2,3-b]pyridine and related compounds - indoxyl analogues with fused electron deficient rings.","Organic & biomolecular chemistry","2010","8","22","5166","5173","10.1039/c0ob00076k","","","0.71073","MoKα","","0.0578","0.0491","","","0.1185","0.1248","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153426","8.5561","0.0002","15.6585","0.0004","17.715","0.0004","90","","90","","90","","2373.38","0.1","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 B K N3 O7 -","- C18 H35 B K N3 O7 -","- C72 H140 B4 K4 N12 O28 -","4","1","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.0872","0.038","","","0.058","0.0694","","","","","","0.88","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153427","8.51","0.0002","14.5204","0.0004","15.9909","0.0003","90","","95.544","0.002","90","","1966.73","0.08","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 B2 K2 N2 O14 -","- C28 H60 B2 K2 N2 O14 -","- C56 H120 B4 K4 N4 O28 -","2","0.5","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.1097","0.0383","","","0.0774","0.1056","","","","","","0.991","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153428","8.0562","0.0003","18.4484","0.0006","15.3958","0.0006","90","","100.588","0.003","90","","2249.23","0.14","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 B N Na O8 -","- C17 H35 B N Na O8 -","- C68 H140 B4 N4 Na4 O32 -","4","1","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","1.54186","CuKα","","0.0589","0.0529","","","0.1479","0.1514","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153429","20.6439","0.0007","14.6541","0.0004","8.4379","0.0003","90","","90","","90","","2552.61","0.14","183","2","183","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C22 H36 B K N1.5 O7 -","- C22 H35 B K N1.5 O7 -","- C88 H140 B4 K4 N6 O28 -","4","1","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.1202","0.0569","","","0.0848","0.0961","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153430","8.4146","0.0002","18.1567","0.0004","13.8651","0.0004","90","","105.663","0.003","90","","2039.67","0.09","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H32 B Na O8 -","- C15 H32 B Na O8 -","- C60 H128 B4 Na4 O32 -","4","2","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.068","0.0483","","","0.1014","0.1154","","","","","","1.083","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153431","6.0756","0.0002","6.6423","0.0002","7.3505","0.0002","80.5318","0.0012","84.2434","0.0012","89.0269","0.0012","291.12","0.015","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C9 H15 N O7 S -","- C9 H15 N O7 S -","- C9 H15 N O7 S -","1","1","","Wyszynski, Filip J.; Thompson, Amber L.; Davis, Benjamin G.","Inverted regioselectivity of C-H amination: Unexpected oxidation at beta- rather than gamma-C-H.","Organic & biomolecular chemistry","2010","8","19","4246","4248","10.1039/c0ob00113a","","","0.71073","MoKα","","0.0238","0.0232","","0.057","0.0567","0.057","","","","","","1.0079","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153432","5.1445","0.0009","14.134","0.002","8.0639","0.0015","90","","90","","90","","586.35","0.17","150","","150","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","0.5","","McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.","Pyrrolizine-1,3-dione.","Organic & biomolecular chemistry","2010","8","19","4383","4387","10.1039/c0ob00116c","","","1.54184","CuKα","","0.0329","0.0325","","","0.0862","0.0866","","","","","","1.07","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153433","6.1911","0.0003","7.8957","0.0004","21.7772","0.001","90","","91.924","0.003","90","","1063.94","0.09","150","","150","","","","","","","","J.Montgomery reaction JM31006","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.","Pyrrolizine-1,3-dione.","Organic & biomolecular chemistry","2010","8","19","4383","4387","10.1039/c0ob00116c","","","0.71073","MoKα","","0.0589","0.0464","","0.1205","0.1179","0.1205","","","","","","0.974","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153434","5.9598","0.0005","5.2424","0.0004","30.618","0.002","90","","94.207","0.002","90","","954.04","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H35 N O2 -","- C18 H35 N O2 -","- C36 H70 N2 O4 -","2","1","","Kumar, Pradeep; Dubey, Abhishek; Puranik, Vedavati G.","A general and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation.","Organic & biomolecular chemistry","2010","8","22","5074","5086","10.1039/c0ob00117a","","","0.71073","MoKα","","0.0975","0.0732","","","0.1667","0.1788","","","","","","1.182","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153435","12.022","0.005","11.403","0.005","17.406","0.01","90","","95.445","0.011","90","","2375","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C120 H80 N16 O16 -","8","2","","Wang, Lina; Qin, Wenwu; Tang, Xiaoliang; Dou, Wei; Liu, Weisheng; Teng, Qingfeng; Yao, Xiaojun","A selective, cell-permeable fluorescent probe for Al3+ in living cells.","Organic & biomolecular chemistry","2010","8","16","3751","3757","10.1039/c0ob00123f","","","0.71073","MoKα","","0.1002","0.0703","","","0.1604","0.1826","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153436","10.0844","0.0002","12.613","0.0003","32.3426","0.0007","90","","98.77","0.001","90","","4065.7","0.15","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 N10 O3 -","- C41 H60 N10 O3 -","- C164 H240 N40 O12 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1074","0.0745","","","0.1336","0.1495","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153437","10.0381","0.0005","13.1722","0.0006","31.7659","0.0015","90","","96.894","0.002","90","","4169.8","0.3","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 N10 O3 -","- C42 H62 N10 O3 -","- C168 H248 N40 O12 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1709","0.1101","","","0.2636","0.2949","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153438","10.5501","0.0001","27.0192","0.0006","19.2592","0.0004","90","","92.785","0.001","90","","5483.45","0.17","120","2","120","2","","","","","","","Masafumi Yano","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H88 Cl N11 O -","- C55 H88 Cl N11 O -","- C220 H352 Cl4 N44 O4 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1274","0.0889","","","0.1581","0.1784","","","","","","1.077","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153439","10.5941","0.0002","15.6673","0.0003","31.9512","0.0005","90","","96.975","0.001","90","","5264.04","0.16","120","2","120","2","","","","","","","Masafumi Yano","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H86 Cl N11 -","- C55 H86 Cl N11 -","- C220 H344 Cl4 N44 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71069","MoKα","","0.141","0.1182","","","0.2964","0.3195","","","","","","0.945","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153440","11.4229","0.0004","13.7802","0.0004","13.8771","0.0004","102.52","0.002","92.138","0.002","113.665","0.001","1934.16","0.11","120","2","120","2","","","","","","","Masafumi Yano","4","P -1","-P 1","2","","","","- C41 H55 N11 O -","- C41 H55 N11 O -","- C82 H110 N22 O2 -","2","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1168","0.0779","","","0.1453","0.1658","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153441","10.5918","0.0008","27.1141","0.0018","19.2001","0.0011","90","","92.771","0.004","90","","5507.6","0.6","120","2","120","2","","","","","","","Masafumi Yano","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H88 Br N11 O -","- C55 H89 Br N11 O -","- C220 H356 Br4 N44 O4 -","4","1","","Yano, Masafumi; Tong, Christine C.; Light, Mark E.; Schmidtchen, Franz P.; Gale, Philip A.","Calix[4]pyrrole-based anion transporters with tuneable transport properties.","Organic & biomolecular chemistry","2010","8","19","4356","4363","10.1039/c0ob00128g","","","0.71073","MoKα","","0.1983","0.1243","","","0.2127","0.2467","","","","","","1.109","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153442","10.9909","0.001","13.0053","0.0011","20.0553","0.0018","90","","90","","90","","2866.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(1,1-bis(4-dimethylaminophenyl)vinyl)-3-phenyl-1H- naphtho(2,1-b)pyran","1-(1,1-bis(4-dimethylaminophenyl)vinyl)-3-phenyl-1H-naphtho[2,1-b]pyran","","- C37 H34 N2 O -","- C37 H34 N2 O -","- C148 H136 N8 O4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kilner, Colin; Kolla, Suresh B.","The influence of a 1,1-diarylvinyl moiety on the photochromism of naphthopyrans.","Organic & biomolecular chemistry","2010","8","21","4874","4883","10.1039/c0ob00141d","","","0.71073","MoKα","","0.0669","0.0431","","","0.0957","0.1087","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153443","6.607","0.003","10.212","0.004","20.641","0.008","90","","90","","90","","1392.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N O3 -","- C14 H14 Br N O3 -","- C56 H56 Br4 N4 O12 -","4","1","","Yu, Feng; Jin, Zhichao; Huang, Huicai; Ye, Tingting; Liang, Xinmiao; Ye, Jinxing","A highly efficient asymmetric Michael addition of α,α-disubstituted aldehydes to maleimides catalyzed by primary amine thiourea salt.","Organic & biomolecular chemistry","2010","8","20","4767","4774","10.1039/c0ob00154f","","","0.71073","MoKα","","0.0511","0.0398","","","0.0822","0.085","","","","","","0.913","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153444","9.8821","0.0003","7.5462","0.0002","14.9402","0.0004","90","","100.517","0.003","90","","1095.41","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Mukhopadhyay, Chhanda; Tapaswi, Pradip Kumar; Butcher, Ray J.","A ligand-free copper (1) catalysed intramolecular N-arylation of diazoaminobenzenes in PEG-water: an expeditious protocol towards regiospecific 1-aryl benzotriazoles.","Organic & biomolecular chemistry","2010","8","20","4720","4729","10.1039/c0ob00177e","","","1.54184","CuKα","","0.0363","0.0341","","","0.0908","0.0922","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153445","12.1674","0.0003","6.98587","0.00015","12.7296","0.0003","90","","107.201","0.003","90","","1033.62","0.04","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C48 H32 N16 O8 -","4","1","","Mukhopadhyay, Chhanda; Tapaswi, Pradip Kumar; Butcher, Ray J.","A ligand-free copper (1) catalysed intramolecular N-arylation of diazoaminobenzenes in PEG-water: an expeditious protocol towards regiospecific 1-aryl benzotriazoles.","Organic & biomolecular chemistry","2010","8","20","4720","4729","10.1039/c0ob00177e","","","1.54184","CuKα","","0.04","0.0365","","","0.1047","0.1078","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153446","16.977","0.003","13.692","0.003","11.959","0.002","90","","90","","90","","2779.9","0.9","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H32 O5 -","- C35 H32 O5 -","- C140 H128 O20 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Babu, Beneesh P.; Varghese, Vimal; Paul, Rony Rajan; Suresh, Eringathodi","NHC-catalysed annulation of enals to tethered dienones: efficient synthesis of bicyclic dienes.","Organic & biomolecular chemistry","2010","8","21","4861","4866","10.1039/c0ob00180e","","","0.71073","MoKα","","0.1054","0.0783","","","0.133","0.143","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153447","11.2657","0.0018","6.0004","0.001","19.842","0.003","90","","94.626","0.002","90","","1336.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Sequential combination of Michael and acetalization reactions: direct catalytic asymmetric synthesis of functionalized 4-nitromethyl-chromans as drug intermediates.","Organic & biomolecular chemistry","2010","8","19","4259","4265","10.1039/c0ob00189a","","","0.71073","MoKα","","0.0632","0.0558","","","0.1444","0.1526","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153448","8.85","0.003","6.326","0.002","23.884","0.009","90","","95.201","0.006","90","","1331.6","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Sequential combination of Michael and acetalization reactions: direct catalytic asymmetric synthesis of functionalized 4-nitromethyl-chromans as drug intermediates.","Organic & biomolecular chemistry","2010","8","19","4259","4265","10.1039/c0ob00189a","","","0.71073","MoKα","","0.0798","0.0656","","","0.1424","0.1493","","","","","","1.181","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153449","10.7266","0.0017","11.6724","0.0015","11.4931","0.0013","90","","93.195","0.015","90","","1436.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar","Sequential combination of Michael and acetalization reactions: direct catalytic asymmetric synthesis of functionalized 4-nitromethyl-chromans as drug intermediates.","Organic & biomolecular chemistry","2010","8","19","4259","4265","10.1039/c0ob00189a","","","0.71073","MoKα","","0.0694","0.0499","","","0.124","0.1317","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153450","7.8211","0.0007","14.9825","0.0012","21.5278","0.0018","90","","94.026","0.001","90","","2516.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N3 -","- C32 H33 N3 -","- C128 H132 N12 -","4","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0698","0.0589","","","0.1217","0.1271","","","","","","1.125","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153451","9.5349","0.0014","10.3815","0.0015","13.64","0.002","68.248","0.002","71.532","0.002","65.462","0.002","1119.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0625","0.0506","","","0.1127","0.1189","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153452","9.942","0.0004","19.4575","0.0007","23.8119","0.0009","90","","90","","90","","4606.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H25 N -","- C33 H25 N -","- C264 H200 N8 -","8","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0555","0.0504","","","0.1222","0.1259","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153453","8.6296","0.0005","11.381","0.0007","15.5193","0.0009","104.522","0.002","102.416","0.002","96.09","0.002","1420.21","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H37 N3 -","- C38 H37 N3 -","- C76 H74 N6 -","2","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0718","0.0538","","","0.1136","0.1216","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153454","4.753","0.003","12.723","0.007","9.586","0.006","90","","93.749","0.014","90","","578.4","0.6","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C22 H22 Br2 N4 O4 -","2","1","","Leng, Dong-Hui; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and enantioselective biotransformations of β-lactam carbonitriles and carboxamides and their synthetic applications.","Organic & biomolecular chemistry","2010","8","20","4736","4743","10.1039/c0ob00198h","","","0.71073","MoKα","","0.0581","0.0523","","","0.0898","0.0913","","","","","","0.974","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153455","6.634","0.003","9.052","0.003","14.778","0.006","90","","90","","90","","887.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 I N O2 -","- C7 H10 I N O2 -","- C28 H40 I4 N4 O8 -","4","1","","Leng, Dong-Hui; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and enantioselective biotransformations of β-lactam carbonitriles and carboxamides and their synthetic applications.","Organic & biomolecular chemistry","2010","8","20","4736","4743","10.1039/c0ob00198h","","","0.71073","MoKα","","0.0479","0.0438","","","0.0948","0.0978","","","","","","1.144","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153456","8.9276","0.0002","14.5482","0.0004","10.1033","0.0004","90","","109.57","0.001","90","","1236.42","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N4 O2 -","- C30 H30 N4 O2 -","- C60 H60 N8 O4 -","2","0.5","","Wood, Mark E.; Bissiriou, Sabine; Lowe, Christopher; Norrish, Andrew M.; Sénéchal, Katell; Windeatt, Kim M.; Coles, Simon J.; Hursthouse, Michael B.","Synthetic use of the primary kinetic isotope effect in hydrogen atom transfer: generation of α-aminoalkyl radicals.","Organic & biomolecular chemistry","2010","8","20","4653","4665","10.1039/c0ob00205d","","","0.71073","MoKα","","0.0582","0.0412","","","0.105","0.1158","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153457","6.886","0.002","9.252","0.003","26.755","0.008","90","","96.481","0.005","90","","1693.6","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S2 -","- C18 H18 N2 O2 S2 -","- C72 H72 N8 O8 S8 -","4","1","","von Delius, Max; Geertsema, Edzard M.; Leigh, David A.; Slawin, Alexandra M. Z.","Synthesis and solid state structure of a hydrazone-disulfide macrocycle and its dynamic covalent ring-opening under acidic and basic conditions.","Organic & biomolecular chemistry","2010","8","20","4617","4624","10.1039/c0ob00214c","","","0.71073","MoKα","","0.0553","0.0517","","","0.1273","0.1344","","","","","","0.949","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153458","13.2985","0.0012","7.5621","0.0007","14.0449","0.0011","90","","96.24","0.004","90","","1404.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triazolobenzodiazepinone","","","- C17 H14 N4 O -","- C17 H14 N4 O -","- C68 H56 N16 O4 -","4","1","","Chowdhury, Chinmay; Sasmal, Anup Kumar; Achari, Basudeb","An expedient and facile route for the general synthesis of 3-aryl substituted 1,2,3-triazolo[1,5-a][1,4]benzodiazepin-6-ones and 1,2,3-triazolo[1,5-a][1,5]benzodiazocin-7-ones.","Organic & biomolecular chemistry","2010","8","21","4971","4977","10.1039/c0ob00217h","","","0.71073","MoKα","","0.0803","0.0508","","","0.1389","0.1747","","","","","","0.845","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153459","8.459","0.004","9.484","0.004","18.978","0.008","90","","90","","90","","1522.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triazolobenzodiazocine","","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","1","","Chowdhury, Chinmay; Sasmal, Anup Kumar; Achari, Basudeb","An expedient and facile route for the general synthesis of 3-aryl substituted 1,2,3-triazolo[1,5-a][1,4]benzodiazepin-6-ones and 1,2,3-triazolo[1,5-a][1,5]benzodiazocin-7-ones.","Organic & biomolecular chemistry","2010","8","21","4971","4977","10.1039/c0ob00217h","","","0.71073","MoKα","","0.0494","0.0439","","","0.1203","0.1274","","","","","","0.782","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153460","7.2935","0.0002","12.373","0.0003","20.6291","0.0005","90","","90","","90","","1861.62","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N3 O S -","- C20 H18 Cl N3 O S -","- C80 H72 Cl4 N12 O4 S4 -","4","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0283","0.0254","","","0.0643","0.0652","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153461","7.5879","0.0002","10.1912","0.0002","24.2981","0.0004","90","","90","","90","","1878.97","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N3 O S -","- C20 H18 Cl N3 O S -","- C80 H72 Cl4 N12 O4 S4 -","4","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0226","0.0211","","","0.0567","0.0571","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153462","9.754","0.0009","9.3273","0.0008","13.3001","0.0012","90","","89.9","","90","","1210.02","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl2 N3 O S -","- C27 H23 Cl2 N3 O S -","- C54 H46 Cl4 N6 O2 S2 -","2","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0443","0.0435","","","0.1125","0.1133","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153463","10.8114","0.0011","10.9871","0.0011","11.0108","0.0011","90","","107.048","0.002","90","","1250.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl2 N3 O S -","- C27 H23 Cl2 N3 O S -","- C54 H46 Cl4 N6 O2 S2 -","2","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0289","0.0282","","","0.0689","0.0694","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153464","7.3179","0.0006","15.6561","0.0013","11.4483","0.001","90","","103.461","0.001","90","","1275.6","0.19","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Ando, Masaru; Sasahara, Yuich; Kamataki, Norifumi; Ohta, Mai; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Generation and amplification of optical activity of axially chiral N-(1-naphthyl)-2(1H)-pyrimidinethione by crystallization.","Organic & biomolecular chemistry","2010","8","23","5418","5422","10.1039/c0ob00262c","","","0.71073","MoKα","","0.0504","0.0443","","","0.1196","0.1236","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153465","7.6223","0.0003","7.6223","0.0003","23.186","0.002","90","","90","","90","","1347.09","0.14","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C64 H56 N8 S4 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Ando, Masaru; Sasahara, Yuich; Kamataki, Norifumi; Ohta, Mai; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Generation and amplification of optical activity of axially chiral N-(1-naphthyl)-2(1H)-pyrimidinethione by crystallization.","Organic & biomolecular chemistry","2010","8","23","5418","5422","10.1039/c0ob00262c","","","0.71073","MoKα","","0.0467","0.0384","","","0.0892","0.0938","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153466","8.6456","0.0006","8.991","0.0006","14.7003","0.001","80.205","0.001","74.677","0.001","73.241","0.001","1049.79","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H10 Co2 O8 -","- C23 H10 Co2 O8 -","- C46 H20 Co4 O16 -","2","1","","Moulton, Benjamin E.; Lynam, Jason M.; Duhme-Klair, Anne-Kathrin; Zheng, Wenxu; Lin, Zhenyang; Fairlamb, Ian J. S.","Atropisomerisation in sterically hindered α,β-disubstituted cyclopentenones derived from an intermolecular cobalt(0)-mediated Pauson-Khand reaction.","Organic & biomolecular chemistry","2010","8","23","5398","5403","10.1039/c0ob00264j","","","0.71073","MoKα","","0.0346","0.029","","","0.0709","0.0737","","","","","","1.05","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153467","13.6217","0.0008","12.1491","0.0007","12.2859","0.0007","90","","111.679","0.001","90","","1889.4","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Moulton, Benjamin E.; Lynam, Jason M.; Duhme-Klair, Anne-Kathrin; Zheng, Wenxu; Lin, Zhenyang; Fairlamb, Ian J. S.","Atropisomerisation in sterically hindered α,β-disubstituted cyclopentenones derived from an intermolecular cobalt(0)-mediated Pauson-Khand reaction.","Organic & biomolecular chemistry","2010","8","23","5398","5403","10.1039/c0ob00264j","","","0.71073","MoKα","","0.0692","0.0464","","","0.1106","0.1213","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153468","8.0395","0.0002","8.2771","0.0003","11.8814","0.0003","102.552","0.002","95.117","0.002","102.507","0.002","745.68","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","12b-Hydroxy-3,4-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-3,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C36 H34 N2 O8 -","2","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.059","0.044","","","0.118","0.1291","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153469","12.353","0.003","15.906","0.004","8.5238","0.0019","90","","99.701","0.003","90","","1650.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12b-Hydroxy-1,2,3-trimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-1,2,3-trimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0766","0.0589","","","0.1265","0.1343","","","","","","1.139","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153470","8.508","0.003","10.588","0.003","16.707","0.005","90","","93.589","0.005","90","","1502.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12b-Hydroxy-2,3-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-2,3-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0954","0.0553","","","0.1152","0.1305","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153471","11.202","0.005","6.303","0.003","21.577","0.01","90","","103.609","0.007","90","","1480.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12b-Hydroxy-1,3-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-1,3-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0962","0.0716","","","0.1904","0.2052","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153472","11.6208","0.0006","16.2041","0.0008","7.1495","0.0003","90","","97.481","0.003","90","","1334.82","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","12b-Hydroxy-3-methoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one","12b-Hydroxy-3-methoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0844","0.0501","","","0.1225","0.1406","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153473","10.299","0.0005","8.4437","0.0004","15.6262","0.0007","90","","95.396","0.004","90","","1352.86","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9,11-dimethoxy-1,2,3,6,7,11b-hexahydrobenzo(a)quinolizin-4-one","9,11-dimethoxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj","An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.","Organic & biomolecular chemistry","2010","8","18","4056","4058","10.1039/c0ob00269k","","","0.71073","MoKα","","0.0903","0.0488","","","0.1146","0.1258","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153474","6.76","0.003","7.753","0.004","15.097","0.007","85.324","0.018","83.591","0.017","77.658","0.017","766.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br N5 O -","- C18 H12 Br N5 O -","- C36 H24 Br2 N10 O2 -","2","1","","Huang, Xiong; Li, Ping; Li, Xin-Sheng; Xu, Dong-Cheng; Xie, Jian-Wu","The organocatalytic two-step synthesis of diversely functionalized tricyclic tetrazoles.","Organic & biomolecular chemistry","2010","8","20","4527","4529","10.1039/c0ob00272k","","","0.71073","MoKα","","","0.0714","","","0.1543","0.1976","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153475","39.577","0.012","6.966","0.002","18.429","0.006","90","","116.465","0.004","90","","4548","2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H90 Br4 N4 O17 S4 -","- C96 H90 Br4 N4 O17 S4 -","- C192 H180 Br8 N8 O34 S8 -","2","0.25","","Sun, Hao; Zhang, Guangqian; Zhi, Sanjun; Han, Jianlin; Li, Guigen; Pan, Yi","Copper-catalyzed aminobromination/elimination process: an efficient access to alpha,beta-unsaturated vicinal haloamino ketones and esters.","Organic & biomolecular chemistry","2010","8","19","4236","4239","10.1039/c0ob00283f","","","0.71073","MoKα","","0.085","0.0537","","","0.1037","0.1108","","","","","","1.038","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153476","14.2872","0.0018","11.9099","0.0015","16.8217","0.0016","90","","121.648","0.008","90","","2436.7","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Br N O4 S -","- C25 H26 Br N O4 S -","- C100 H104 Br4 N4 O16 S4 -","4","1","","Sun, Hao; Zhang, Guangqian; Zhi, Sanjun; Han, Jianlin; Li, Guigen; Pan, Yi","Copper-catalyzed aminobromination/elimination process: an efficient access to alpha,beta-unsaturated vicinal haloamino ketones and esters.","Organic & biomolecular chemistry","2010","8","19","4236","4239","10.1039/c0ob00283f","","","0.71073","MoKα","","0.0808","0.0607","","","0.1264","0.1308","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153477","10.5553","0.0014","8.6908","0.0012","26.008","0.003","90","","109.346","0.004","90","","2251.1","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br N O4 S -","- C24 H22 Br N O4 S -","- C96 H88 Br4 N4 O16 S4 -","4","1","","Sun, Hao; Zhang, Guangqian; Zhi, Sanjun; Han, Jianlin; Li, Guigen; Pan, Yi","Copper-catalyzed aminobromination/elimination process: an efficient access to alpha,beta-unsaturated vicinal haloamino ketones and esters.","Organic & biomolecular chemistry","2010","8","19","4236","4239","10.1039/c0ob00283f","","","0.71073","MoKα","","0.0611","0.0507","","","0.1207","0.1241","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153478","6.89","0.0003","13.781","0.0005","18.112","0.0009","90","","94.503","0.001","90","","1714.45","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 N6 O2 -","- C17 H12 Cl2 N6 O2 -","- C68 H48 Cl8 N24 O8 -","4","1","","Altuğ, Cevher; Dürüst, Yasar; Elliott, Mark C.; Kariuki, Benson M.; Rorstad, Tillique; Zaal, Mark","Reaction of heterocyclic enamines with nitrile oxide and nitrilimine precursors.","Organic & biomolecular chemistry","2010","8","21","4978","4986","10.1039/c0ob00286k","","","0.71073","MoKα","","0.1173","0.0848","","","0.1884","0.2052","","","","","","1.101","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153479","10.439","0.0007","8.2177","0.0007","20.2299","0.0013","90","","102.142","0.004","90","","1696.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Altuğ, Cevher; Dürüst, Yasar; Elliott, Mark C.; Kariuki, Benson M.; Rorstad, Tillique; Zaal, Mark","Reaction of heterocyclic enamines with nitrile oxide and nitrilimine precursors.","Organic & biomolecular chemistry","2010","8","21","4978","4986","10.1039/c0ob00286k","","","0.71073","MoKα","","0.0921","0.0588","","","0.1236","0.1395","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153480","37.523","0.003","11.2668","0.0006","21.482","0.0017","90","","120.074","0.01","90","","7859.2","1.3","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(8Z,8'Z)-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-8,8'-bis((3- (morpholin-4-yl)propan-1)amino)-5,5'-di(propan-2-yl)-2,2'-binaphthalene- 7,7'(8H,8'H)-dione","(8Z,8'Z)-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-8,8'- bis([3-(morpholin-4-yl)propan-1]amino)- 5,5'-di(propan-2-yl)-2,2'-binaphthalene-7,7'(8H,8'H)-dione","","- C44 H58 N4 O8 -","- C44 H58 N4 O8 -","- C352 H464 N32 O64 -","8","1","","Przybylski, Piotr; Pyta, Krystian; Czupryniak, Justyna; Wicher, Barbara; Gdaniec, Maria; Ossowski, Tadeusz; Brzezinski, Bogumił","The influence of protonation on molecular structure and physico-chemical properties of gossypol Schiff bases.","Organic & biomolecular chemistry","2010","8","24","5511","5518","10.1039/c0ob00288g","","","1.54184","CuKα","","0.0842","0.0484","","","0.1286","0.1465","","","","","","1.032","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153481","11.001","0.002","11.945","0.002","20.385","0.005","90","","90","","90","","2678.7","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-(2S,7S,E)-1,1,1,8,8,8-hexafluorooct-4-ene-2,7-diyl)bis(N-(4- methoxylphenyl)acetamide)","","- C26 H28 F6 N2 O4 -","- C26 H28 F6 N2 O4 -","- C104 H112 F24 N8 O16 -","4","1","","Madelaine, Claire; Buriez, Olivier; Crousse, Benoît; Florent, Isabelle; Grellier, Philippe; Retailleau, Pascal; Six, Yvan","Aminocyclopropanes as precursors of endoperoxides with antimalarial activity.","Organic & biomolecular chemistry","2010","8","24","5591","5601","10.1039/c0ob00308e","","","0.71069","MoKα","","0.0409","0.035","","","0.0908","0.0955","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153482","11.6442","0.0005","24.372","0.001","13.0153","0.0006","90","","98.82","0.001","90","","3650","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H36 O4 -","- C48 H36 O4 -","- C192 H144 O16 -","4","2","","Yu, Xiuzhao; Cao, Zhongyan; Zhang, Junliang","Organocatalytic hetero [4+2] cycloaddition reactions of 2-(1-alkynyl)-2-alkene-1-ones: metal-free access to highly substituted 4H-pyrans.","Organic & biomolecular chemistry","2010","8","22","5059","5061","10.1039/c0ob00334d","","","0.71073","MoKα","","0.0407","0.0344","","","0.084","0.0891","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153483","34.71","0.007","42.495","0.009","15.363","0.003","90","","90","","90","","22660","8","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Proctolin","Arg-Tyr-Leu-Pro-Thr","","- C31 H42.82 N8 O12 -","- C30.9975 H42.8175 N8 O11.9975 -","- C495.96 H685.08 N128 O191.96 -","16","4","","Howard, Judith A. K.; Yufit, Dmitry S.; Chetina, Olga V.; Teat, Simon J.; Capelli, Silvia C.; Pattison, Philip","Crystal structure of the insect neuropeptide proctolin.","Organic & biomolecular chemistry","2010","8","22","5110","5112","10.1039/c0ob00345j","","","0.6899","synchrotron","","0.1155","0.1072","","","0.2952","0.31","","","","","","1.158","","","","has coordinates,has disorder","180320","2020-10-21","18:00:00",""
"7153484","10.9532","0.0017","7.9598","0.0013","17.259","0.003","90","","96.705","0.002","90","","1494.4","0.4","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","melleumin A","melleumin A","","- C25 H29 N3 O8 -","- C28.68 H29 N3 O10.01 -","- C57.36 H58 N6 O20.02 -","2","1","","Arai, Midori A.; Hanazawa, Shuwa; Uchino, Yujiro; Li, Xiaofan; Ishibashi, Masami","Total synthesis and evaluation of Wnt signal inhibition of melleumin A and B, and their derivatives.","Organic & biomolecular chemistry","2010","8","23","5285","5293","10.1039/c0ob00352b","","","0.71073","MoKα","","0.0761","0.0693","","","0.1875","0.1984","","","","","","0.929","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153485","7.757","0.001","18.607","0.001","10.809","0.001","90","","92.211","0.002","90","","1559","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","methyl-6-benzyl-2-methyl-5-oxohexahydro-5H-(1,3)oxazolo (3,2- a)pyrazine-3-carboxylate","methyl-6-benzyl-2-methyl-5-oxohexahydro-5H-[1,3]oxazolo [3,2-a]pyrazine-3-carboxylate","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","2","","Trabocchi, Andrea; Stefanini, Irene; Morvillo, Manfredi; Ciofi, Leonardo; Cavalieri, Duccio; Guarna, Antonio","Chemical genetics approach to identify new small molecule modulators of cell growth by phenotypic screening of Saccharomyces cerevisiae strains with a library of morpholine-derived compounds.","Organic & biomolecular chemistry","2010","8","24","5552","5557","10.1039/c0ob00357c","","x-ray","1.54178","CuKα","","0.0696","0.0433","","","0.1","0.1126","","","","","","0.987","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153486","8.221","0.004","9.997","0.003","10.709","0.006","114.9","0.04","92.12","0.05","99.43","0.03","782","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl N O2 S -","- C16 H18 Cl N O2 S -","- C32 H36 Cl2 N2 O4 S2 -","2","1","","Kissane, Marie; Lynch, Denis; Chopra, Jay; Lawrence, Simon E.; Maguire, Anita R.","The influence of reaction conditions on the Diels-Alder cycloadditions of 2-thio-3-chloroacrylamides; investigation of thermal, catalytic and microwave conditions.","Organic & biomolecular chemistry","2010","8","24","5602","5613","10.1039/c0ob00368a","","","0.7107","MoKα","","0.1162","0.0669","","","0.1553","0.2003","","","","","","1.112","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153487","9.968","0.001","13.712","0.002","11.671","0.002","90","","99.67","0.01","90","","1572.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl N O2 S -","- C16 H18 Cl N O2 S -","- C64 H72 Cl4 N4 O8 S4 -","4","1","","Kissane, Marie; Lynch, Denis; Chopra, Jay; Lawrence, Simon E.; Maguire, Anita R.","The influence of reaction conditions on the Diels-Alder cycloadditions of 2-thio-3-chloroacrylamides; investigation of thermal, catalytic and microwave conditions.","Organic & biomolecular chemistry","2010","8","24","5602","5613","10.1039/c0ob00368a","","","0.7107","MoKα","","0.091","0.0436","","","0.1136","0.1307","","","","","","1.041","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153488","10.476","0.0008","6.7599","0.0005","14.5944","0.001","90","","93.438","0.004","90","","1031.67","0.13","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 O5 -","- C12 H8 O5 -","- C48 H32 O20 -","4","1","","Mkrtchyan, Satenik; Iaroshenko, Viktor O.; Dudkin, Sergii; Gevorgyan, Ashot; Vilches-Herrera, Marcelo; Ghazaryan, Gagik; Volochnyuk, Dmitriy M.; Ostrovskyi, Dmytro; Ahmed, Zeeshan; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","3-Methoxalylchromone–a novel versatile reagent for the regioselective purine isostere synthesis.","Organic & biomolecular chemistry","2010","8","23","5280","5284","10.1039/c0ob00379d","","","0.71073","MoKα","","0.0946","0.0494","","","0.1225","0.1368","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153489","12.244","0.009","14.288","0.01","26.562","0.019","90","","95.317","0.013","90","","4627","6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H22.5 N3.5 O5.5 -","- C26.5 H22.5 N3.5 O5.5 -","- C212 H180 N28 O44 -","8","1","","Mkrtchyan, Satenik; Iaroshenko, Viktor O.; Dudkin, Sergii; Gevorgyan, Ashot; Vilches-Herrera, Marcelo; Ghazaryan, Gagik; Volochnyuk, Dmitriy M.; Ostrovskyi, Dmytro; Ahmed, Zeeshan; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","3-Methoxalylchromone‒a novel versatile reagent for the regioselective purine isostere synthesis.","Organic & biomolecular chemistry","2010","8","23","5280","5284","10.1039/c0ob00379d","","","0.71073","MoKα","","0.1177","0.049","","","0.0892","0.1039","","","","","","0.954","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153490","15.5148","0.0004","8.3533","0.0002","12.6393","0.0003","90","","98.661","0.001","90","","1619.37","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O4 S -","- C17 H15 N3 O4 S -","- C68 H60 N12 O16 S4 -","4","1","","Mkrtchyan, Satenik; Iaroshenko, Viktor O.; Dudkin, Sergii; Gevorgyan, Ashot; Vilches-Herrera, Marcelo; Ghazaryan, Gagik; Volochnyuk, Dmitriy M.; Ostrovskyi, Dmytro; Ahmed, Zeeshan; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","3-Methoxalylchromone–a novel versatile reagent for the regioselective purine isostere synthesis.","Organic & biomolecular chemistry","2010","8","23","5280","5284","10.1039/c0ob00379d","","","0.71073","MoKα","","0.048","0.0377","","","0.1017","0.1068","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153491","6.03265","0.00006","14.26965","0.00012","16.47322","0.00013","90","","90","","90","","1418.08","0.02","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Hydroxy-11b-methyl-11b,12-dihydro-11a-aza-indeno(2,1- a)fluoren-11-one","12-Hydroxy-11b-methyl-11b,12-dihydro-11a-aza-indeno[2,1-a]fluoren-11-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor","Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.","Organic & biomolecular chemistry","2010","8","21","4815","4818","10.1039/c0ob00390e","","","0.71073","MoKα","","0.0367","0.0331","","","0.0907","0.0922","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153492","4.0331","0.00007","15.7754","0.0002","22.1253","0.0003","90","","90","","90","","1407.69","0.04","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno(2,1- a)fluoren-11-one","12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno[2,1-a]fluoren-11-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor","Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.","Organic & biomolecular chemistry","2010","8","21","4815","4818","10.1039/c0ob00390e","","","0.71073","MoKα","","0.05","0.0476","","","0.1236","0.1248","","","","","","1.209","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153493","5.6129","0.0001","19.2298","0.0003","32.3685","0.0005","90","","93.166","0.001","90","","3488.36","0.1","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 N3 O8 -","- C44 H37 N3 O8 -","- C176 H148 N12 O32 -","4","1","","Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor","Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.","Organic & biomolecular chemistry","2010","8","21","4815","4818","10.1039/c0ob00390e","","","1.54184","CuKα","","0.0485","0.0456","","","0.1151","0.1169","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153494","17.8305","0.0002","5.3631","0.0001","16.2017","0.0002","90","","90","","90","","1549.32","0.04","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Huo, Yingpeng; Qiu, Xu; Shao, Weiyan; Huang, Jianing; Yu, Yanjun; Zuo, Yinglin; An, Linkun; Du, Jun; Bu, Xianzhang","New fluorescent trans-dihydrofluoren-3-ones from aldol-Robinson annulation-regioselective addition involved one-pot reaction.","Organic & biomolecular chemistry","2010","8","22","5048","5052","10.1039/c0ob00401d","","","1.54178","CuKα","","0.0285","0.0285","","","0.0768","0.0768","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153495","7.8562","0.0004","11.9575","0.0006","23.0397","0.0011","90","","95.316","0.003","90","","2155.05","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Br Cl N O2 -","- C22 H31 Br Cl N O2 -","- C88 H124 Br4 Cl4 N4 O8 -","4","1","","Burrell, Adam J. M.; Watson, Luke; Martin, Nathaniel G.; Oram, Niall; Coldham, Iain","Synthesis of the core ring system of the stemona alkaloids by cascade condensation, cyclization, intramolecular cycloaddition.","Organic & biomolecular chemistry","2010","8","20","4530","4532","10.1039/c0ob00408a","","","0.71073","MoKα","","0.0754","0.0433","","","0.1096","0.1262","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153496","13.1393","0.0007","7.7782","0.0004","17.9896","0.0009","90","","102.927","0.003","90","","1791.94","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N O2 S -","- C20 H29 N O2 S -","- C80 H116 N4 O8 S4 -","4","1","","Burrell, Adam J. M.; Watson, Luke; Martin, Nathaniel G.; Oram, Niall; Coldham, Iain","Synthesis of the core ring system of the stemona alkaloids by cascade condensation, cyclization, intramolecular cycloaddition.","Organic & biomolecular chemistry","2010","8","20","4530","4532","10.1039/c0ob00408a","","","0.71073","MoKα","","0.0615","0.0421","","","0.0981","0.1058","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153497","6.837","0.002","10.47","0.005","18.506","0.006","90","","90","","90","","1324.7","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ADDTop","","","- C13 H17 N3 O6 -","- C13 H17 N3 O6 -","- C52 H68 N12 O24 -","4","1","","Xie, Yun; Maxson, Tucker; Tor, Yitzhak","Fluorescent nucleoside analogue displays enhanced emission upon pairing with guanine.","Organic & biomolecular chemistry","2010","8","22","5053","5055","10.1039/c0ob00413h","","","1.54178","CuKα","","0.0409","0.0358","","","0.0882","0.091","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153498","10.5576","0.0002","14.9916","0.0003","20.3173","0.0003","90","","90","","90","","3215.73","0.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O3 S2 -","- C17 H14 N2 O3 S2 -","- C136 H112 N16 O24 S16 -","8","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Rodríguez, Valentín","Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties.","Organic & biomolecular chemistry","2010","8","23","5367","5374","10.1039/c0ob00416b","","","0.71073","MoKα","","0.0633","0.0493","","","0.0931","0.101","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153499","11.138","0.0003","13.836","0.0002","11.563","0.0003","90","","118.642","0.0011","90","","1563.87","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O3 S2 -","- C17 H14 N2 O3 S2 -","- C68 H56 N8 O12 S8 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Rodríguez, Valentín","Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties.","Organic & biomolecular chemistry","2010","8","23","5367","5374","10.1039/c0ob00416b","","","0.71069","MoKα","","0.0484","0.0385","","","0.0907","0.096","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153500","10.9901","0.0007","20.0863","0.0011","14.5576","0.0009","90","","90","","90","","3213.6","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H14 N2 O3 S2 -","- C17 H14 N2 O3 S2 -","- C136 H112 N16 O24 S16 -","8","2","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Rodríguez, Valentín","Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties.","Organic & biomolecular chemistry","2010","8","23","5367","5374","10.1039/c0ob00416b","","","0.71073","MoKα","","0.09","0.0788","","","0.2279","0.2382","","","","","","1.067","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153501","15.2153","0.0002","9.6223","0.0001","22.8853","0.0004","90","","104.102","0.001","90","","3249.58","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 O4 Si2 -","- C31.5 H45.5 O4 Si2 -","- C126 H182 O16 Si8 -","4","1","","Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc","Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.","Organic & biomolecular chemistry","2010","8","24","5490","5494","10.1039/c0ob00448k","","x-ray","0.71073","MoKα","","0.1362","0.0867","","","0.2469","0.2951","","","","","","1.114","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153502","10.4066","0.0001","20.7845","0.0002","26.5729","0.0004","90","","90","","90","","5747.61","0.12","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C26 H42 O4 Si2 -","- C26 H42 O4 Si2 -","- C208 H336 O32 Si16 -","8","1","","Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc","Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.","Organic & biomolecular chemistry","2010","8","24","5490","5494","10.1039/c0ob00448k","","x-ray","0.71073","MoKα","","0.0964","0.0688","","","0.1816","0.2044","","","","","","1.063","","","","has coordinates,has disorder","301861","2025-08-22","11:12:07",""
"7153503","11.0794","0.0003","5.2878","0.0001","19.8876","0.0006","90","","90","","90","","1165.13","0.05","293","2","293","2","","","","","","","synthesis as described","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 O4 -","- C14 H10 O4 -","- C56 H40 O16 -","4","1","","Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc","Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.","Organic & biomolecular chemistry","2010","8","24","5490","5494","10.1039/c0ob00448k","","x-ray","0.71073","MoKα","","0.051","0.0408","","","0.0865","0.0923","","","","","","1.121","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153504","6.2947","0.001","9.882","0.0012","25.1671","0.0019","86.318","0.005","83.519","0.006","81.658","0.007","1537.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H31 N5 S2 -","- C36 H31 N5 S2 -","- C72 H62 N10 S4 -","2","1","","Younes, Ali H.; Zhang, Lu; Clark, Ronald J.; Davidson, Michael W.; Zhu, Lei","Electronic structural dependence of the photophysical properties of fluorescent heteroditopic ligands - implications in designing molecular fluorescent indicators.","Organic & biomolecular chemistry","2010","8","23","5431","5441","10.1039/c0ob00482k","","","0.71073","MoKα","","0.0391","0.0378","","","0.099","0.0996","","","","","","1.209","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153505","9.323","0.001","14.554","0.004","27.618","0.003","90","","90","","90","","3747.4","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4- dihydropyridine‒3,5-dicarboxylate","Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- -3,5-dicarboxylate","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C152 H184 N8 O48 -","8","1","","Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio","Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.","Organic & biomolecular chemistry","2010","8","23","5339","5344","10.1039/c0ob00494d","","","0.71073","MoKα","","0.0651","0.0435","","","0.1004","0.1117","","","","","","1.015","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153506","19.098","0.003","7.516","0.002","17.03","0.002","90","","103.53","0.005","90","","2376.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine–3,5- diyl)bis(phenyl-methanone","4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- -3,5-diyl)bis(phenyl-methanone","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C116 H108 N4 O16 -","4","1","","Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio","Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.","Organic & biomolecular chemistry","2010","8","23","5339","5344","10.1039/c0ob00494d","","","0.71073","MoKα","","0.107","0.0549","","","0.1058","0.1262","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:12:07",""
"7153507","9.128","0.004","24.191","0.002","16.035","0.006","90","","90.21","0.05","90","","3541","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 4-(3,4- dimethoxyphenyl)–2,6-dimethyl-1,4-di-hydropyridine-3,5-dicarboxylate","Bis((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 4-(3,4-dimethoxyphenyl)- -2,6-dimethyl-1,4-di-hydropyridine-3,5-dicarboxylate","","- C37 H55 N O6 -","- C37 H55 N O6 -","- C148 H220 N4 O24 -","4","2","","Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio","Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.","Organic & biomolecular chemistry","2010","8","23","5339","5344","10.1039/c0ob00494d","","","0.71073","MoKα","","0.0698","0.0425","","","0.0903","0.1026","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153508","9.0179","0.001","9.5313","0.0011","15.0553","0.0016","86.959","0.003","78.879","0.002","80.525","0.003","1252.1","0.2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H33 N O7 Si -","- C24 H33 N O7 Si -","- C48 H66 N2 O14 Si2 -","2","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0399","0.0396","","","0.1043","0.1045","","","","","","1.093","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153509","18.432","0.002","9.922","0.0013","10.8403","0.0014","90","","95.081","0.004","90","","1974.7","0.4","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O9 -","- C18 H27 N O9 -","- C72 H108 N4 O36 -","4","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0692","0.0631","","","0.1768","0.1997","","","","","","1.129","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153510","10.5098","0.001","10.1045","0.001","19.7591","0.0019","90","","98.871","0.004","90","","2073.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N O8 -","- C18 H28 N O9 -","- C72 H112 N4 O36 -","4","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0818","0.1296","","","0.2501","0.1822","","","","","","1.463","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153511","15.652","0.003","10.174","0.002","28.07","0.006","90","","90","","90","","4470","1.6","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H29 N O9 -","- C18 H29 N O9 -","- C144 H232 N8 O72 -","8","1","","Girard, Emeline; Desvergnes, Valérie; Tarnus, Céline; Landais, Yannick","Desymmetrization of 7-dimethylphenylsilylcycloheptatriene. Towards the synthesis of new aminocycloheptitols.","Organic & biomolecular chemistry","2010","8","24","5628","5634","10.1039/c0ob00521e","","","1.54178","CuKα","","0.0667","0.0523","","","0.1226","0.131","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153512","10.1884","0.0012","15.6187","0.0018","16.3086","0.0019","101.378","0.002","93.392","0.002","95.643","0.002","2523.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H82 Cl N3 O2 -","- C54 H82 Cl N3 O2 -","- C108 H164 Cl2 N6 O4 -","2","1","","Curiel, David; Más-Montoya, Miriam; Sánchez, Guzmán; Orenes, Raúl A; Molina, Pedro; Tárraga, Alberto","A new building block for anion supramolecular chemistry. Study of carbazolocarbazole as anion receptor.","Organic & biomolecular chemistry","2010","8","21","4811","4814","10.1039/c0ob00522c","","","0.71073","MoKα","","0.0664","0.0603","","","0.1377","0.1416","","","","","","1.168","","","","has coordinates,has disorder","301861","2025-08-22","11:12:08",""
"7153513","12.0209","0.0008","12.0209","0.0008","25.881","0.003","90","","90","","90","","3739.9","0.6","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C37 H38 N6 O7 -","- C37 H38 N6 O7 -","- C148 H152 N24 O28 -","4","1","","Pérez-Balado, Carlos; de Lera, Angel R.","Concise total synthesis and structural revision of (+)-pestalazine B.","Organic & biomolecular chemistry","2010","8","22","5179","5186","10.1039/c0ob00531b","","","0.71073","MoKα","","0.1265","0.0613","","","0.1525","0.1936","","","","","","1.048","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153514","13.5963","0.0009","7.1431","0.0005","13.1021","0.0009","90","","94.214","0.003","90","","1269.03","0.15","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br2 F2 N O3 -","- C11 H7 Br2 F2 N O3 -","- C44 H28 Br8 F8 N4 O12 -","4","1","","Hugenberg, Verena; Fröhlich, Roland; Haufe, Günter","Oxidative desulfurization-fluorination of thioethers. Application for the synthesis of fluorinated nitrogen containing building blocks.","Organic & biomolecular chemistry","2010","8","24","5682","5691","10.1039/c0ob00560f","","","1.54178","CuKα","","0.0506","0.0471","","","0.1436","0.1473","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7203100","6.9095","0.0005","10.2699","0.0007","16.4105","0.0011","90","","90","","90","","1164.49","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0473","0.0468","","","0.1258","0.1267","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203101","7.6782","0.001","12.4991","0.0016","12.4268","0.0016","90","","101.005","0.002","90","","1170.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0449","0.0391","","","0.101","0.1066","","","","","","1.068","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203102","12.1682","0.0019","5.045","0.0008","12.494","0.002","90","","108.948","0.002","90","","725.4","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0386","0.0375","","","0.1081","0.1102","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203127","7.2325","0.0014","5.0006","0.0005","17.966","0.003","90","","96.189","0.003","90","","645.99","0.18","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","(S,S)-(-)-tetramethylene bis(3,3,3-trifluorolactate)","","","- C10 H12 F6 O6 -","- C10 H12 F6 O6 -","- C20 H24 F12 O12 -","2","1","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0447","0.0421","","","0.1123","0.1142","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203128","18.816","0.003","5.1374","0.0006","7.7556","0.001","90","","96.202","0.002","90","","745.31","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-pentamethylene bis(3,3,3-trifluorolactate)","","","- C11 H14 F6 O6 -","- C11 H14 F6 O6 -","- C22 H28 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0879","0.0615","","","0.1641","0.1833","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203129","19.7519","0.0012","5.0738","0.0002","7.8915","0.0005","90","","90","","90","","790.86","0.08","120","1","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-hexamethylene bis(3,3,3-trifluorolactate)","","","- C12 H16 F6 O6 -","- C12 H16 F6 O6 -","- C24 H32 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0353","0.0343","","","0.0923","0.0931","","","","","","1.075","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203130","20.812","0.0011","5.1279","0.0001","7.9655","0.0004","90","","96.279","0.001","90","","844.99","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-heptamethylene bis(3,3,3-trifluorolactate)","","","- C13 H18 F6 O6 -","- C13.008 H18.016 F6 O6 -","- C26.016 H36.032 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0288","0.0278","","","0.0691","0.0697","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203131","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203132","27.753","0.011","4.9906","0.001","7.992","0.003","90","","95.942","0.005","90","","1101","0.6","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-nonamethylene bis(3,3,3-trifluorolactate) octane solvate","","","- C17.24 H27.04 F6 O6 -","- C15 H22 F6 O6 -","- C30 H44 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0525","0.0496","","","0.1437","0.1481","","","","","","1.096","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203133","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203136","9.4647","0.0002","9.9534","0.0002","15.7079","0.0004","90","","98.509","0.001","90","","1463.49","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N'-Bis(furan-2-ylmethylene)cyclohexane-1,2-diamine","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","van den Ancker, Tania R.; Cave, Gareth W. V.; Raston, Colin L.","Benign approaches for the synthesis of bis-imine Schiff bases","Green Chemistry","2006","8","1","50","","10.1039/b513289d","","","0.71073","MoKα","","0.0721","0.0467","","","0.1155","0.1285","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203137","18.5478","0.0004","8.9189","0.0002","9.2148","0.0002","90","","101.388","0.001","90","","1494.36","0.06","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","N,N'-Bis(1H-pyrrol-2-ylmethylene)cyclohexane-1,2-diamine","","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","0.5","","van den Ancker, Tania R.; Cave, Gareth W. V.; Raston, Colin L.","Benign approaches for the synthesis of bis-imine Schiff bases","Green Chemistry","2006","8","1","50","","10.1039/b513289d","","","0.71073","MoKα","","0.0402","0.0371","","","0.0989","0.1012","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203138","35.5824","0.0014","5.701","0.0003","16.8318","0.0009","90","","112.752","0.002","90","","3148.7","0.3","150","2","396","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(N-Pyridin-4-ylmethylene)(N'-pyridin-2-ylmethylene) cyclohexane-1,2-diamine","","","- C18 H20 N4 -","- C18 H20 N4 -","- C144 H160 N32 -","8","1","","van den Ancker, Tania R.; Cave, Gareth W. V.; Raston, Colin L.","Benign approaches for the synthesis of bis-imine Schiff bases","Green Chemistry","2006","8","1","50","","10.1039/b513289d","","","0.71073","MoKα","","0.1266","0.0665","","","0.1574","0.1844","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203139","9.7269","0.0008","8.6585","0.0007","24.853","0.002","90","","100.872","0.002","90","","2055.6","0.3","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 N2 O4 P2 S4 Zn -","- C36 H54 N2 O4 P2 S4 Zn -","- C72 H108 N4 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.1","0.078","","","0.209","0.223","","","","","","1.08","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203140","7.8735","0.0008","17.7046","0.0015","20.0325","0.0019","90","","90.638","0.002","90","","2792.3","0.5","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 N2 O8 P4 S8 Zn2 -","- C36 H66 N2 O8 P4 S8 Zn2 -","- C72 H132 N4 O16 P8 S16 Zn4 -","2","0.5","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.079","0.047","","","0.1","0.113","","","","","","1.01","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203141","8.3237","0.0014","11.2642","0.0019","14.95","0.004","77.797","0.003","73.836","0.003","68.317","0.003","1241.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H30 N O4 P2 S4 Zn -","- C14 H30 N O4 P2 S4 Zn -","- C28 H60 N2 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.101","0.065","","","0.165","0.191","","","","","","1.02","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203142","21.988","0.005","35.283","0.007","17.564","0.003","90","","90","","90","","13626","5","223","2","223","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C22 H36 N2 O4 P2 S6 Zn -","- C22 H36 N2 O4 P2 S6 Zn -","- C352 H576 N32 O64 P32 S96 Zn16 -","16","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.212","0.108","","","0.324","0.39","","","","","","1.14","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203143","18.5675","0.0006","23.9914","0.0007","16.1405","0.0005","90","","103.262","0.001","90","","6998.2","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 O4 P2 S4 Zn -","- C25 H42 N2 O4 P2 S4 Zn -","- C200 H336 N16 O32 P16 S32 Zn8 -","8","2","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.124","0.074","","","0.192","0.223","","","","","","1.06","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203144","12.1969","0.0007","8.3847","0.0005","15.5757","0.001","90","","95.676","0.002","90","","1585.08","0.17","223","2","223","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C22 H37 N3 O4 P2 S4 Zn -","- C22 H37 N3 O4 P2 S4 Zn -","- C44 H74 N6 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.065","0.051","","","0.118","0.128","","","","","","1.01","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203146","10.636","0.001","17.24","0.001","34.915","0.001","90","","96.66","0.001","90","","6359","0.7","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23.33 H21.33 Cl0.67 I O0.33 P -","- C23.3333 H20.6667 Cl0.666667 I O0.333333 P -","- C280 H248 Cl8 I12 O4 P12 -","12","3","","Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel","EPR and DFT studies of the one-electron reduction product of phospholium cations.","Physical chemistry chemical physics : PCCP","2006","8","7","862","868","10.1039/b513736p","","","0.71069","MoKα","","0.0692","0.0434","","","0.1103","0.1188","","","","","","1.049","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203147","14.354","0.001","11.207","0.001","17.548","0.001","90","","90","","90","","2822.9","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 I O P -","- C13 H16 I O P -","- C104 H128 I8 O8 P8 -","8","1","","Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel","EPR and DFT studies of the one-electron reduction product of phospholium cations.","Physical chemistry chemical physics : PCCP","2006","8","7","862","868","10.1039/b513736p","","","0.71069","MoKα","","0.0641","0.0459","","","0.1314","0.1421","","","","","","1.051","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203148","19.007","0.001","10.697","0.001","20.438","0.001","90","","104.57","0.001","90","","4021.8","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 I P -","- C20 H18 Cl2 I P -","- C160 H144 Cl16 I8 P8 -","8","2","","Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel","EPR and DFT studies of the one-electron reduction product of phospholium cations.","Physical chemistry chemical physics : PCCP","2006","8","7","862","868","10.1039/b513736p","","","0.71069","MoKα","","0.0496","0.0318","","","0.0699","0.075","","","","","","1.005","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203149","25.078","0.002","25.078","0.002","25.078","0.002","90","","90","","90","","15772","2","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.2378","0.0764","","","0.2029","0.2691","","","","","","0.941","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203150","10.5311","0.0008","17.575","0.001","18.449","0.001","90","","90.444","0.002","90","","3414.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71069","MoKα","","0.0606","0.0365","","","0.09","0.1028","","","","","","1.019","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203151","25.39","0.002","25.39","0.002","25.39","0.002","90","","90","","90","","16368","2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.0944","0.0628","","","0.1851","0.219","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203152","12.087","0.004","16.628","0.005","10.264","0.008","96.19","0.06","95.7","0.06","107.22","0.03","1940.1","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.168","0.0451","","","0.0816","0.1165","","","","","","0.715","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203153","11.006","0.005","10.491","0.005","19.293","0.005","86.37","0.02","88.4","0.02","88.5","0.02","2221.6","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.0549","0.0464","","","0.1391","0.1486","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203154","10.86","0.01","10.47","0.01","19.95","0.02","90","","99.24","0.09","90","","2239","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.1326","0.0964","","","0.2197","0.2601","","","","","","0.965","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203155","10.67","0.07","7.76","0.01","24.24","0.03","90","","95.6","0.2","90","","1997","14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.3189","0.0498","","","0.0603","0.1077","","","","","","0.656","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203156","16.979","0.002","7.706","0.008","31.237","0.003","90","","102.076","0.002","90","","3997","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C176 H200 N24 O8 -","8","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71073","MoKα","","0.0624","0.0517","","","0.1514","0.1579","","","","","","1.103","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203157","7.759","0.009","18.66","0.02","6.57","0.005","96.2","0.1","97.72","0.09","96.1","0.1","930","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.2543","0.107","","","0.2762","0.3649","","","","","","0.799","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203163","7.5255","0.001","12.0556","0.0015","18.597","0.002","90","","96.238","0.01","90","","1677.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","","- C35 H51 N3 O10 -","- C35 H51 N3 O10 -","- C70 H102 N6 O20 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.047","0.0391","","","0.0859","0.0899","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203164","8.2334","0.0014","12.283","0.002","33.625","0.005","90","","90","","90","","3400.5","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium hydrogen N-benzoyl-D-aspartate tetrahydrate","","- C34 H45 N3 O13 -","- C34 H45 N3 O13 -","- C136 H180 N12 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1192","0.0776","","","0.1642","0.1882","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203165","7.8711","0.0008","12.4649","0.0012","33.044","0.003","90","","90","","90","","3242","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-benzoyl-D-asparaginate trihydrate","","- C34 H44 N4 O11 -","- C34 H44 N4 O11 -","- C136 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1489","0.0583","","","0.0722","0.0867","","","","","","1.005","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203166","13.611","0.002","12.374","0.002","20.458","0.003","90","","93.146","0.018","90","","3440.4","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-tert-Butoxycarbonyl-L-alaninate 2-propanol solvate hydrate","","- C34 H51 N3 O10 -","- C34 H51 N3 O10 -","- C136 H204 N12 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.0555","0.0406","","","0.0687","0.0735","","","","","","1","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203167","5.028","0.002","9.68","0.004","5.246","0.002","90","","118.522","0.007","90","","224.34","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 Cl N2 -","- C2 H5 Cl N2 -","- C4 H10 Cl2 N4 -","2","1","","Wishkerman, Sara; Bernstein, Joel","Characterization of the polymorphs of aminoacetonitrile hydrochloride and crystal structure of the stable polymorph","CrystEngComm","2006","8","3","245","","10.1039/b515447b","","","0.71073","MoKα","","0.0377","0.037","","","0.0874","0.0883","","","","","","1.284","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203168","13.1537","0.0015","28.617","0.003","10.365","0.0011","90","","90","","90","","3901.6","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Co N2 O8 -","- C18 H22 Co N2 O8 -","- C144 H176 Co8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1026","0.0432","","","0.0642","0.0747","","","","","","0.856","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203169","12.6879","0.0012","27.985","0.003","10.8363","0.0011","90","","90","","90","","3847.7","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C144 H176 Cu8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0666","0.0404","","","0.0628","0.0681","","","","","","0.883","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203170","12.88","0.003","28.401","0.006","10.376","0.002","90","","90","","90","","3795.6","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C144 H176 N16 O64 Zn8 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0961","0.0414","","","0.0451","0.0531","","","","","","0.816","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203171","11.325","0.002","16.241","0.003","9.881","0.002","90","","90","","90","","1817.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H18 N2 O6 Zn -","- C18 H18 N2 O6 Zn -","- C72 H72 N8 O24 Zn4 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0861","0.0375","","","0.0491","0.0556","","","","","","0.809","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203172","7.9432","0.0007","9.6697","0.0008","22.3743","0.0019","90","","92.791","0.002","90","","1716.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Mn N2 O5 -","- C15 H17 Cl Mn N2 O5 -","- C60 H68 Cl4 Mn4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0631","0.0353","","","0.0724","0.0779","","","","","","0.916","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203173","7.8296","0.0007","9.5624","0.0008","22.1549","0.0018","90","","93.724","0.002","90","","1655.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Co N2 O5 -","- C15 H17 Cl Co N2 O5 -","- C60 H68 Cl4 Co4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.124","0.0469","","","0.0643","0.0768","","","","","","0.838","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203174","7.7833","0.0007","9.5585","0.0009","22.055","0.002","90","","94.027","0.002","90","","1636.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl N2 Ni O5 -","- C15 H17 Cl N2 Ni O5 -","- C60 H68 Cl4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0881","0.0507","","","0.1085","0.1194","","","","","","0.95","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203175","7.734","0.0008","9.6848","0.0009","22.313","0.002","90","","94.977","0.002","90","","1665","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br N2 Ni O5 -","- C15 H17 Br N2 Ni O5 -","- C60 H68 Br4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1884","0.0515","","","0.0565","0.0756","","","","","","0.736","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203177","5.37","0.003","6.213","0.003","12.481","0.004","90","","102.31","0.03","90","","406.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-NITROPHENYL PHOSPHORIC ACID","4-NITROPHENYL PHOSPHORIC ACID","","- C6 H6 N O6 P -","- C6 H6 N O6 P -","- C12 H12 N2 O12 P2 -","2","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0279","0.0268","","","0.0691","0.0698","","","","","","1.072","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203178","7.669","0.002","19.817","0.004","11.707","0.002","90","","102.9","0.03","90","","1734.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","","- C12 H11 K N2 O12 P2 -","- C12 H11 K N2 O12 P2 -","- C48 H44 K4 N8 O48 P8 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0407","0.0347","","","0.0808","0.083","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203179","7.373","0.003","9.561","0.003","16.32","0.004","84.44","0.03","89.23","0.03","84.47","0.03","1139.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","","- C7 H9 K N O7 P -","- C7 H9 K N O7 P -","- C28 H36 K4 N4 O28 P4 -","4","2","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0423","0.0339","","","0.083","0.0868","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203180","12.58","0.003","6.743","0.002","13.316","0.003","90","","93.89","0.03","90","","1127","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","","- C6 H9 K N O8 P -","- C6 H9 K N O8 P -","- C24 H36 K4 N4 O32 P4 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0328","0.026","","","0.0664","0.0685","","","","","","1.124","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203181","12.529","0.004","7.131","0.003","31.914","0.006","90","","90","","90","","2851.3","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","","- C6 H12 K2 N O10 P -","- C6 H12 K2 N O10 P -","- C48 H96 K16 N8 O80 P8 -","8","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0805","0.0544","","","0.1078","0.1168","","","","","","1.109","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203189","9.7931","0.0003","17.0401","0.0005","19.8613","0.0007","90","","102.479","0.001","90","","3236.06","0.18","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C136 H136 Au8 Cl8 N4 O2 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0789","0.0445","","","0.0889","0.1006","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203190","10.5172","0.0002","12.311","0.0003","13.3218","0.0004","72.659","0.001","84.32","0.002","75.96","0.001","1596.62","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0524","0.0447","","","0.1145","0.1194","","","","","","1.001","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203191","9.8874","0.0002","11.2785","0.0002","13.3023","0.0003","70.929","0.001","81.604","0.001","87.168","0.001","1386.96","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N O3 P2 -","- C33 H29 N O3 P2 -","- C66 H58 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.067","0.0498","","","0.1293","0.1404","","","","","","1.017","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203192","11.2658","0.001","11.6465","0.0002","14.495","0.0002","85.708","0.001","74.044","0.001","86.088","0.001","1821.19","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O3 P2 -","- C37 H39 Au2 Cl2 N O3 P2 -","- C74 H78 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0354","0.0315","","","0.0796","0.0819","","","","","","1.027","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203193","11.288","0.002","11.664","0.002","14.665","0.003","83.41","0.03","73.92","0.03","85.81","0.03","1841.3","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O4 P2 -","- C37 H40 Au2 Cl2 N O4 P2 -","- C74 H80 Au4 Cl4 N2 O8 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0346","0.029","","","0.0683","0.0707","","","","","","1.054","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203194","10.0711","0.0002","17.7756","0.0004","19.7048","0.0005","90","","101.616","0.001","90","","3455.3","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.32 H30.28 Au2 Cl2 N O3.32 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0723","0.0414","","","0.0688","0.0761","","","","","","1.009","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203195","14.4668","0.0005","10.6327","0.0004","20.9068","0.0012","90","","95.054","0.0016","90","","3203.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.1616","0.0594","","","0.0874","0.0987","","","","","","1.069","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203196","10.9153","0.0004","12.1624","0.0004","15.8034","0.0006","74.933","0.002","82.592","0.002","73.966","0.002","1943.37","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.6 H31.4 Au2 Cl2 N O3.6 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0864","0.0665","","","0.1791","0.1889","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203197","6.3316","0.0013","12.517","0.003","33.042","0.007","90","","90","","90","","2618.7","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H34 N2 O2 -","- C34 H34 N2 O2 -","- C136 H136 N8 O8 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0796","0.0417","","","0.0795","0.0852","","","","","","0.901","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203198","12.632","0.003","32.034","0.006","6.2215","0.0012","90","","90","","90","","2517.6","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H32 N2 O2 S -","- C32 H32 N2 O2 S -","- C128 H128 N8 O8 S4 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1351","0.0433","","","0.0634","0.0769","","","","","","0.826","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203199","18.823","0.004","10.157","0.002","13.869","0.003","90","","100.44","0.03","90","","2607.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O4 -","- C32 H32 N2 O4 -","- C128 H128 N8 O16 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.098","0.0408","","","0.071","0.0772","","","","","","0.931","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203200","12.525","0.003","12.772","0.003","26.458","0.005","90","","90","","90","","4232.5","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C192 H208 N16 O32 -","8","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.186","0.0664","","","0.163","0.1846","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203201","9.3034","0.0019","10.198","0.002","10.295","0.002","60.47","0.03","76.13","0.03","72.88","0.03","806.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1198","0.0795","","","0.1884","0.2142","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203202","11.764","0.002","15.841","0.003","12.322","0.003","90","","113.9","0.03","90","","2099.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0541","0.0406","","","0.1059","0.1115","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203203","8.5551","0.0017","11.84","0.002","12.496","0.003","106.27","0.03","104.97","0.03","98.65","0.03","1139.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1132","0.0873","","","0.2538","0.2816","","","","","","1.009","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203204","8.6721","0.0017","11.845","0.002","12.364","0.003","106.23","0.03","104.28","0.03","98.19","0.03","1150.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1067","0.0761","","","0.1981","0.222","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203205","17.518","0.004","13.767","0.003","9.0857","0.0018","90","","91.32","0.03","90","","2190.6","0.8","120","2","120","2","","","","","","","Roberto Quesada","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 N8 O7.5 Pt S4 -","- C9 H21 N8 O7.5 Pt S4 -","- C36 H84 N32 O30 Pt4 S16 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0508","0.0314","","","0.0604","0.0672","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203206","17.315","0.004","9.4289","0.0019","23.344","0.005","90","","107.7","0.03","90","","3630.8","1.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H40 N8 O9 Pt S8 -","- C17 H40 N8 O9 Pt S8 -","- C68 H160 N32 O36 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0326","0.0254","","","0.0598","0.0633","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203207","16.3461","0.0014","10.1444","0.0006","11.143","0.0011","90","","90","","90","","1847.7","0.3","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H40 N8 O8 Pt S8 -","- C16 H40 N8 O8 Pt S8 -","- C32 H80 N16 O16 Pt2 S16 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.072","0.0538","","","0.1317","0.1429","","","","","","0.931","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203208","21.1828","0.0016","14.1183","0.0013","14.4599","0.0014","90","","99.579","0.006","90","","4264.2","0.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C76 H192 Cl4 N48 O32 Pt6 S36 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0655","0.0376","","","0.0694","0.0773","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203209","8.8659","0.0009","12.7545","0.0008","11.0019","0.0015","90","","110.91","0.007","90","","1162.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N10 O4 Pt S4 -","- C12 H22 N10 O4 Pt S4 -","- C24 H44 N20 O8 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0566","0.0301","","","0.0617","0.0708","","","","","","0.977","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203210","8.9202","0.0005","13.8259","0.0006","9.1159","0.0006","90","","116.182","0.005","90","","1008.91","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N8 O6 Pt S4 -","- C8 H20 N8 O6 Pt S4 -","- C16 H40 N16 O12 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0198","0.0166","","","0.0357","0.0376","","","","","","1.066","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203211","21.409","0.004","14.734","0.003","14.767","0.003","90","","127.24","0.03","90","","3708.4","1.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N8 O12 Pt S8 -","- C18 H44 N8 O12 Pt S8 -","- C72 H176 N32 O48 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.048","0.028","","","0.0465","0.0516","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203212","12.4153","0.0018","12.4153","0.0018","7.3494","0.0015","90","","90","","90","","1132.8","0.3","293","2","273","","","","","","","","","5","P -4","P -4","81","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","1","0.25","","Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.","An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster","CrystEngComm","2006","8","4","303","","10.1039/b516332c","","x-ray","0.71073","MoKα","","0.0556","0.0471","","","0.114","0.1236","","","","","","1.075","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203214","14.034","0.01","13.205","0.017","3.699","0.008","90","","90","","90","","685.5","1.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 N O4 -","- C7 H4 N O4 -","- C28 H16 N4 O16 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0759","0.0591","","","0.1573","0.1701","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203215","3.6579","0.0001","11.0577","0.0004","21.5478","0.001","90","","93.02","0.001","90","","870.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0929","0.0466","","","0.0927","0.1119","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203216","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203220","21.348","0.003","19.231","0.003","22.047","0.003","90","","105.139","0.003","90","","8737","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fullerene [70] phenol co-crystallisate","","- C170 H30 O5 -","- C170 H25 O5 -","- C680 H100 O20 -","4","1","","Schulz-Dobrick, Martin; Panthöfer, Martin; Jansen, Martin","Crystal structure of the supramolecular adduct 2 C70·5 C6H5OH containing hydrogen-bonded rings of phenol","CrystEngComm","2006","8","2","163","","10.1039/b516427c","","x-ray","0.71073","MoKα","","0.1996","0.1243","","","0.1067","0.1241","","","","2.99","2.99","2.47","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203221","12.948","0.001","7.334","0.001","13.849","0.001","90","","115.35","0.01","90","","1188.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","hexaamminecobalt(iii) dichloride selenocaynide","hexaamminecobalt(III) dichloride selenocaynide","","- C H18 Cl2 Co N7 Se -","- C H18 Cl2 Co N7 Se -","- C4 H72 Cl8 Co4 N28 Se4 -","4","0.5","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.035","0.0328","","","0.0771","0.0785","","","","","","1.117","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203222","7.115","0.001","10.121","0.002","23.154","0.004","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","hexaamminecobalt(III) chloride diazide","","- Cl4 Co3 H54 N33 -","- Cl4 Co3 H54 N33 -","- Cl8 Co6 H108 N66 -","2","0.25","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.0322","0.0275","","","0.0679","0.0706","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203223","12.924","0.003","11.081","0.002","23.689","0.005","90","","90","","90","","3392.5","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,2-bis-(4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0373","0.0332","","","0.0849","0.088","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203224","10.728","0.003","8.023","0.002","39.71","0.011","90","","90","","90","","3417.9","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(3-Fluorophenyl)- 2- (4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1118","0.0517","","","0.1017","0.1348","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203225","16.628","0.006","45.589","0.012","9.044","0.003","90","","90","","90","","6856","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H18 F2 N O -","- C22 H17 F2 N O -","- C352 H272 F32 N16 O16 -","16","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0283","0.0276","","","0.075","0.0757","","","","","","1.054","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203226","15.952","0.004","17.98","0.004","6.0391","0.0014","90","","90","","90","","1732.1","0.7","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 F N O -","- C22 H17 F N O -","- C88 H68 F4 N4 O4 -","4","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1171","0.0842","","","0.2209","0.2455","","","","","","0.982","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203227","16.1076","0.0011","9.1597","0.0006","23.6002","0.0016","90","","107.116","0.001","90","","3327.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 F N O -","- C22 H19 F N O -","- C176 H152 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0455","0.0413","","","0.098","0.1004","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203228","13.233","0.004","11.129","0.003","23.205","0.007","90","","90","","90","","3417.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C176 H160 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0443","0.0375","","","0.0902","0.0947","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203229","16.4791","0.0009","21.8079","0.0012","7.8598","0.0004","90","","104.85","0.03","90","","2730.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,7-Dimethoxy-5,10-bis(p-anisyl)-5,10-dihydrophenazine tricyanomethanide","","- C32 H26 N5 O4 -","- C32 H26 N5 O4 -","- C128 H104 N20 O16 -","4","0.5","","McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C.","A molecular salt of tricyanomethanide anion and a N,N′-dianisylphenazinium dication: cooperative affects of methoxy⋯methoxy and CN⋯N+ intermolecular contacts","CrystEngComm","2006","8","2","129","","10.1039/b516674h","","","0.71073","MoKα","","0.0833","0.0574","","","0.1461","0.1652","","","","","","1.104","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203230","6.9997","0.0004","16.426","0.0009","20.3312","0.0018","90","","90","","90","","2337.6","0.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C10 H26 Na4 O20 -","- C10 H2 Na4 O20 -","- C40 H8 Na16 O80 -","4","1","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0949","0.0589","","","0.1404","0.1582","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203231","7.3778","0.0004","20.1493","0.0006","10.4963","0.0004","90","","103.466","0.008","90","","1517.46","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Mn Na2 O26 -","- C20 H28 Mn Na2 O26 -","- C40 H56 Mn2 Na4 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0253","0.023","","","0.0629","0.0642","","","","","","1.091","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203232","7.2862","0.0004","20.1165","0.0007","10.4032","0.0003","90","","103.366","0.009","90","","1483.52","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Na2 Ni O26 -","- C20 H28 Na2 Ni O26 -","- C40 H56 Na4 Ni2 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0486","0.0376","","","0.0812","0.0851","","","","","","1.125","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203233","18.309","0.003","16.716","0.003","18.722","0.003","90","","91.812","0.003","90","","5727.1","1.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","AgBF4rev2","","","- C28 H28 Ag B F4 N4 O2 S2 -","- C28 H28 Ag B F4 N4 O2 S2 -","- C224 H224 Ag8 B8 F32 N32 O16 S16 -","8","2","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.2219","0.1685","","","0.3604","0.3801","","","","","","1.113","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203234","18.2449","0.0009","16.2679","0.0008","18.9904","0.001","90","","90","","90","","5636.5","0.5","120","","120","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Ag N5 O5 S2 -","- C28 H28 Ag N5 O5 S2 -","- C224 H224 Ag8 N40 O40 S16 -","8","1","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.0621","0.0338","","0.0779","0.0752","0.0752","","","","","","0.9004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203235","9.3134","0.001","11.0006","0.0008","12.5519","0.0014","90","","97.193","0.013","90","","1275.9","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C60 H24 Br4 F16 N4 -","4","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0359","0.028","","","0.0673","0.0702","","","","","","0.989","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203236","7.2037","0.0017","8.087","0.0018","13.661","0.003","81.226","0.018","79.789","0.018","62.434","0.016","692","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H2 Br F8 N -","- C15 H2 Br F8 N -","- C30 H4 Br2 F16 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0656","0.0479","","","0.115","0.1248","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203237","7.8616","0.001","8.3583","0.0011","10.1162","0.0014","91.004","0.011","95.029","0.011","107.029","0.01","632.49","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C30 H12 Br2 F8 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0561","0.0512","","","0.1343","0.1379","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203238","9.9795","0.0013","13.3572","0.0014","16.7277","0.0019","104.434","0.009","104.567","0.009","102.171","0.009","1999","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C105 H70 Br7 N7 -","7","3.5","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0837","0.0641","","","0.1523","0.1638","","","","","","1.074","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203239","20.976","0.007","9.346","0.0017","9.903","0.003","90","","106.98","0.02","90","","1856.8","0.9","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag2 N4 O10 -","- C7 H6 Ag N2 O5 -","- C56 H48 Ag8 N16 O40 -","8","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO<small><sub>3</sub></small> and <strong>L</strong> (<strong>L</strong> = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0854","0.0733","","","0.1742","0.1885","","","","","","0.868","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203240","6.1591","0.0013","8.895","0.003","14.439","0.003","93.15","0.02","99.898","0.016","91.43","0.02","777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Ag N3 O7 -","- C14 H12 Ag N3 O7 -","- C28 H24 Ag2 N6 O14 -","2","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO<small><sub>3</sub></small> and <strong>L</strong> (<strong>L</strong> = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0408","0.0312","","","0.0686","0.0732","","","","","","1.07","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203241","5.4567","0.0003","6.8657","0.0005","18.9798","0.0012","84.785","0.003","90.874","0.002","75.585","0.003","685.3","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/undecanoic acid","","","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.09","0.0637","","","0.1475","0.1667","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203242","5.4447","0.0002","6.9028","0.0003","20.307","0.008","89.796","0.001","88.441","0.001","75.432","0.001","738.4","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/dodecanoic acid","","","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.0639","0.0558","","","0.164","0.1724","","","","","","1.088","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203243","5.4407","0.0009","6.8439","0.0011","21.498","0.004","84.694","0.003","92.957","0.003","75.574","0.003","769.6","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","2:1 pyrazine/tridecanoic acid","","","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.176","0.0809","","","0.1857","0.2334","","","","","","0.961","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203250","16.2521","0.0007","16.252","","15.5357","0.0007","90","","90","","90","","4103.4","0.3","100","2","100","2","","","","","","","","6","I 1 2 1","I 2y","5","5,10,15,20-Tetrakis(5'-methyl-2'-thienyl)porphyrin bis(trifluoroacetate)","","","- C44 H32 F6 N4 O4 S4 -","- C44 H32 F6 N4 O4 S4 -","- C176 H128 F24 N16 O16 S16 -","4","1","","Brückner, Christian; Foss, Paul C. D.; Sullivan, James O.; Pelto, Ryan; Zeller, Matthias; Birge, Robert R.; Crundwell, Guy","Origin of the bathochromically shifted optical spectra of meso-tetrathien-2'- and 3'-ylporphyrins as compared to meso-tetraphenylporphyrin.","Physical chemistry chemical physics : PCCP","2006","8","20","2402","2412","10.1039/b600010j","","","0.71073","MoKα","","0.0777","0.0775","","","0.1824","0.1825","","","","","","1.162","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203252","10.441","0.01","16.283","0.015","10.634","0.004","90","","100.42","0.05","90","","1778","2","120","2","120","2","","","","","","","Gareth Bates","5","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Cl2 N5 -","- C36 H48 Br Cl2 N5 -","- C72 H96 Br2 Cl4 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0924","0.0603","","","0.1247","0.1368","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203253","10.4518","0.0005","16.2074","0.0008","10.5977","0.0003","90","","99.626","0.002","90","","1769.94","0.13","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl3 N5 -","- C37 H50 Cl3 N5 -","- C74 H100 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0877","0.0575","","","0.1417","0.1582","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203254","10.6105","0.0004","16.9689","0.0009","18.5412","0.001","90","","105.356","0.003","90","","3219.1","0.3","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Br N5 -","- C36 H48 Br N5 -","- C144 H192 Br4 N20 -","4","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.1431","0.0574","","","0.0936","0.1154","","","","","","1.004","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203255","10.3713","0.0004","16.0168","0.0006","10.5997","0.0002","90","","99.974","0.002","90","","1734.16","0.1","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C36 H48 Cl3 N5 -","- C36 H48 Cl3 N5 -","- C72 H96 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0708","0.0432","","","0.0825","0.0917","","","","","","0.968","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203256","21.91","0.002","21.91","","20.559","0.002","90","","90","","120","","8547.1","1.1","150","2","150","2","","","","","","","","5","P 61","P 61","169","(C9H10N2O2)6.(CHCl3)","o-Acetamidobenzamide Chloroform (6/1)","","- C9.17 H10.17 Cl0.5 N2 O2 -","- C9.16667 H10.1667 Cl0.5 N2 O2 -","- C330 H366 Cl18 N72 O72 -","36","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.0766","0.0583","","","0.1406","0.1541","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203257","9.604","0.0009","17.5606","0.0016","18.3598","0.0017","72.468","0.002","86.767","0.002","75.422","0.002","2856.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C3H8O)","o-Acetamidobenzamide 1-propanol solvate (6/1)","","- C9.5 H11.33 N2 O2.17 -","- C9.5 H11.3333 N2 O2.16667 -","- C114 H136 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.122","0.0617","","","0.1377","0.1688","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203258","9.145","0.006","18.334","0.012","19.059","0.012","67.29","0.01","86.635","0.011","81.875","0.011","2918","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 1-butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11.6667 N2 O2.16667 -","- C116 H140 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1938","0.1","","","0.2394","0.2935","","","","","","0.886","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203259","9.8722","0.0014","17.541","0.002","17.977","0.003","73.288","0.003","86.046","0.003","75.975","0.003","2892.7","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 2-Butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11 N2 O2.16667 -","- C116 H132 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1124","0.0654","","","0.1497","0.1791","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203260","9.2597","0.0012","17.732","0.002","19.021","0.002","71.009","0.002","87.503","0.003","75.724","0.003","2859.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(C9H10N2O2)6.(C2H4Cl2)","o-Acetamidobenzamide 1,2-Dichloroethane solvate (6/1)","","- C9.33 H10.67 Cl0.33 N2 O2 -","- C9.33333 H10 Cl0.333333 N2 O2 -","- C112 H120 Cl4 N24 O24 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1098","0.0679","","","0.1735","0.1986","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203261","9.746","0.01","17.664","0.018","18.548","0.019","73.29","0.016","85.649","0.018","75.83","0.02","2965","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H8O2)","o-Acetamidobenzamide 1,4-Dioxane solvate (6/1)","","- C9.67 H11.33 N2 O2.33 -","- C9.66667 H10 N2 O2.33333 -","- C116 H120 N24 O28 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.3594","0.2059","","","0.391","0.4703","","","","","","1.127","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203262","5.2602","0.0004","9.29","0.001","16.674","0.003","90","","90","","90","","814.81","0.18","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Isopropyl-(R)-(-)-3,3-difluorolactate","","","- C6 H10 F2 O3 -","- C6 H10 F2 O3 -","- C24 H40 F8 O12 -","4","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0346","0.0331","","","0.088","0.0888","","","","","","1.036","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203263","18.8223","0.0006","5.1467","0.0001","7.7739","0.0003","90","","90","","90","","753.08","0.04","120","1","120","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hexamethylene-(R,R)-bis(3,3-difluorolactate)","","","- C12 H18 F4 O6 -","- C12 H18 F4 O6 -","- C24 H36 F8 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0554","0.0473","","","0.0969","0.0994","","","","","","1.216","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203264","8.6464","0.0003","5.6435","0.0001","10.8654","0.0004","90","","109.451","0.001","90","","499.93","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Isopropyl-(S)-(-)-3,3,3-trichlorolactate","","","- C6 H9 Cl3 O3 -","- C6 H9 Cl3 O3 -","- C12 H18 Cl6 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0271","0.0266","","","0.0657","0.0659","","","","","","1.172","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203265","21.7785","0.0017","5.7582","0.0002","8.4827","0.0007","90","","90","","90","","1063.77","0.13","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(-)-Octamethylene-(S,S)-bis(3,3,3-trichlorolactate)","","","- C14 H20 Cl6 O6 -","- C14 H20 Cl6 O6 -","- C28 H40 Cl12 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0505","0.0424","","","0.0883","0.0908","","","","","","1.176","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203266","9.2129","0.0001","6.6622","0.0002","12.5141","0.0003","90","","103.89","0.002","90","","745.63","0.03","296","1","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-(S)-1-Phenylethylammonium-(S)-3,3,3-trichlorolactate","","","- C11 H14 Cl3 N O3 -","- C11 H14 Cl3 N O3 -","- C22 H28 Cl6 N2 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0726","0.0607","","","0.1499","0.1562","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203267","14.958","0.0005","14.166","0.0004","12.105","0.0004","90","","99.174","0.002","90","","2532.18","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 Co N2 O18 S2 -","- C8 H44 Co N2 O18 S2 -","- C32 H176 Co4 N8 O72 S8 -","4","1","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0718","0.031","","0.0651","0.0591","0.0651","","","","","","0.6573","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203268","6.9495","0.0002","16.0265","0.0005","14.7693","0.0005","90","","101.867","0.002","90","","1609.79","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H60 Co N2 O18 S2 -","- C16 H60 Co N2 O18 S2 -","- C32 H120 Co2 N4 O36 S4 -","2","0.5","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0805","0.0412","","0.0849","0.0774","0.0849","","","","","","0.8407","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203269","15.2597","0.0004","23.4134","0.0006","16.9043","0.0003","90","","101.739","0.001","90","","5913.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H49 Co N O11 -","- C22 H49 Co N O11 -","- C176 H392 Co8 N8 O88 -","8","2","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.1341","0.054","","0.152","0.1338","0.152","","","","","","0.8225","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203270","19.257","0.001","19.257","","27.718","0.002","90","","90","","90","","10278.7","0.9","153","2","153","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C176 H50 O5 -","- C176 H48 O5 -","- C704 H192 O20 -","4","0.25","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.55","synchrotron","","0.1367","0.1293","","","0.3701","0.3816","","","","","","0.967","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203271","21.2568","0.0004","10.0977","0.0003","26.6014","0.0009","90","","113.269","0.001","90","","5245.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 B10 O4 -","- C58 H60 B10 O4 -","- C232 H240 B40 O16 -","4","1","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.7107","MoKα","","0.3208","0.0787","","","0.108","0.1499","","","","","","0.958","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203272","13.773","0.002","13.773","0.002","6.998","0.002","90","","90","","120","","1149.6","0.4","294","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16.5 H27.5 O2 -","- C16.5 H28.5 O2 -","- C49.5 H85.5 O6 -","3","0.5","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.051","","","","0.067","","","","","","1.68","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203273","7.328","0.002","13.46","0.002","19.037","0.004","90","","91.87","0.01","90","","1876.7","0.7","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F3 O4 -","- C17 H27 F3 O4 -","- C68 H108 F12 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.116","","","","0.173","","","","","","2.22","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203274","7.037","0.002","13.661","0.002","18.194","0.005","90","","107.19","0.01","90","","1670.9","0.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 O3 -","- C17 H32 O3 -","- C68 H128 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.06","","","","0.106","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203275","7.536","0.003","13.657","0.003","17.238","0.007","90","","106.91","0.02","90","","1697.4","1.1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 O4 -","- C17 H30 O4 -","- C68 H120 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.065","","","","0.081","","","","","","1.77","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203276","6.908","0.004","13.833","0.005","18.981","0.007","90","","97.99","0.02","90","","1796.2","1.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 O3 -","- C18 H34 O3 -","- C72 H136 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.068","","","","0.092","","","","","","1.85","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203277","7.777","0.004","14.093","0.007","15.21","0.007","86.12","0.03","82.12","0.02","79.66","0.02","1622.9","1.4","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H61 O7 -","- C33 H61 O7 -","- C66 H122 O14 -","2","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.076","","","","0.092","","","","","","1.89","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203278","6.991","0.004","13.781","0.006","20.216","0.008","90","","97.6","0.03","90","","1930.6","1.6","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 O3 -","- C19 H36 O3 -","- C76 H144 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.107","","","","0.136","","","","","","1.99","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203279","7.3278","0.0002","21.8954","0.0008","11.7204","0.0004","90","","97.01","","90","","1866.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Co N4 O4 -","- C22 H14 Co N4 O4 -","- C88 H56 Co4 N16 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1027","0.0733","","","0.136","0.151","","","","","","1.252","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203280","7.2779","0.0011","21.675","0.003","11.786","0.002","90","","97.484","0.007","90","","1843.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 Ni O4 -","- C22 H14 N4 Ni O4 -","- C88 H56 N16 Ni4 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1059","0.069","","","0.1188","0.1319","","","","","","1.11","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203281","13.4816","0.0005","22.1896","0.0008","12.2588","0.0004","90","","116.196","0.001","90","","3290.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co N8 O5 -","- C36 H26 Co N8 O5 -","- C144 H104 Co4 N32 O20 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0996","0.0618","","","0.1187","0.1374","","","","","","1.236","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203282","17.5096","0.0004","33.7329","0.0007","15.2861","0.0004","90","","98.121","0.001","90","","8938.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H69 Co4 N20 O19 -","- C88 H54 Co4 N20 O19 -","- C352 H216 Co16 N80 O76 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0924","0.0685","","","0.15","0.1711","","","","","","1.134","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203283","11.3758","0.0018","11.982","0.002","12.6203","0.0019","104.568","0.006","97.853","0.002","108.063","0.006","1539.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","1","0.5","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0816","0.0559","","","0.1177","0.1345","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203284","12.1901","0.0002","28.2433","0.0004","14.47","","90","","92.304","0.001","90","","4977.83","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N12 Ni O7 -","- C50 H34 N12 Ni O7 -","- C200 H136 N48 Ni4 O28 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1515","0.1049","","","0.1843","0.2101","","","","","","1.321","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203285","10.1051","0.0006","28.8085","0.0018","4.838","0.0002","90","","103.868","0.01","90","","1367.35","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Gelbrich, Thomas; Hursthouse, Michael B.","Systematic investigation of the relationships between 25 crystal structures containing the carbamazepine molecule or a close analogue: a case study of the XPac method","CrystEngComm","2006","8","6","448","","10.1039/b600753h","","","0.71073","MoKα","","0.1038","0.0506","","","0.077","0.0856","","","","","","1.171","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203286","51.227","0.003","51.227","0.003","12.8243","0.0008","90","","90","","120","","29145","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H426 Fe30 O168 -","- C300 H426 Fe30 O168 -","- C900 H1278 Fe90 O504 -","3","0.166667","","Jiang, Guoqing; Li, Yizhi; Hua, Weijie; Song, You; Bai, Junfeng; Li, Shuhua; Scheer, Manfred; You, Xiaozeng","A supramolecular assembly of {Fe10} molecular wheels with tubular structures","CrystEngComm","2006","8","5","384","","10.1039/b600875e","","","0.71073","MoKα","","0.0885","0.0598","","","0.1171","0.1222","","","","","","1.064","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203287","11.104","0.0004","12.3528","0.0005","12.8493","0.0005","112.138","0.002","98.411","0.002","103.464","0.002","1533.17","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","1","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0244","0.0231","","","0.0583","0.0592","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203288","16.743","0.0006","20.5911","0.0007","30.9059","0.0011","90","","90","","90","","10655","0.6","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H52 B2 Cu F8 N5 O0.5 S4 -","- C52 H52 B1.5 Cu F6 N5 O0.5 S4 -","- C416 H416 B12 Cu8 F48 N40 O4 S32 -","8","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0924","0.0594","","","0.1596","0.1774","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203289","17.1827","0.0007","20.0047","0.0009","14.4205","0.0006","90","","103.157","0.002","90","","4826.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl2 Cu N4 O8 S4 -","- C48 H44 Cl2 Cu N4 O8 S4 -","- C192 H176 Cl8 Cu4 N16 O32 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0404","0.03","","","0.0736","0.0796","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203290","14.7535","0.0008","10.3848","0.0006","35.2904","0.0019","90","","99.713","0.002","90","","5329.4","0.5","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H51 Cl2 Cu N4 O9.5 S4 -","- C50 H44 Cl2 Cu N4 O9.5 S4 -","- C200 H176 Cl8 Cu4 N16 O38 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0868","0.0671","","","0.1611","0.1736","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203291","10.4903","0.0004","23.5948","0.0008","19.4528","0.0007","90","","100.126","0.002","90","","4739.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu N6 O6 S4 -","- C48 H44 Cu N6 O6 S4 -","- C192 H176 Cu4 N24 O24 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0402","0.0304","","","0.079","0.0864","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203292","10.4434","0.0005","16.95","0.0008","30.3408","0.0013","90","","92.81","0.002","90","","5364.3","0.4","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C108 H103 Cu2 N13 O14 S9 -","- C108 H99 Cu2 N13 O14 S9 -","- C216 H198 Cu4 N26 O28 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.111","0.0578","","","0.1183","0.1427","","","","","","1.023","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203295","3.8917","0.0005","6.9999","0.0008","22.977","0.003","90","","90.798","0.002","90","","625.87","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E,E)-1,2-bis-4-chlorobenzaldazine","(E,E)-1,2-bis-4-chlorobenzaldazine","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C28 H20 Cl4 N4 -","2","0.5","","Glaser, Rainer; Murphy, Richard F.; Sui, Yongqiang; Barnes, Charles L.; Kim, Sung Hoon","Multifurcated halogen bonding involving Ph?Cl?H?CPh?N?R? interactions and its relation to idioteloamphiphile layer architecture","CrystEngComm","2006","8","5","372","","10.1039/b601467d","","","0.71073","MoKα","","0.0348","0.0328","","","0.0851","0.0867","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203296","13.6878","0.0002","16.3438","0.0003","22.3279","0.0005","77.892","0.001","86.092","0.001","83.936","0.001","4851.11","0.16","113","2","113","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^- tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane.5(2-picoline) clathrate","","- C106 H123 N5 O16 S4 -","- C106 H105 N5 O16 S4 -","- C212 H210 N10 O32 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.0956","0.0546","","","0.1303","0.1515","","","","","","0.98","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203297","44.8472","0.0003","20.7901","0.0002","23.3348","0.0002","90","","117.239","0.001","90","","19344.1","0.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 4.5(3-picoline). 0.5(H2O) clathrate","","- C103 H120.5 N4.5 O16.5 S4 -","- C103 H102 N4.5 O17 S4 -","- C824 H816 N36 O136 S32 -","8","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1296","0.0811","","","0.2117","0.2447","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203298","16.9366","0.0001","17.9477","0.0002","19.4997","0.0002","104.495","0.001","96.671","0.001","105.44","","5424.44","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 6.5(4-picoline). 2(H2O) clathrate","","- C112 H130 N6 O16 S4 -","- C114.5 H105 N6.93 O18 S4 -","- C229 H210 N13.86 O36 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1114","0.0687","","","0.1768","0.2041","","","","","","1.043","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203301","14.4629","0.0005","16.4777","0.0008","10.6768","0.0005","90","","108.359","0.003","90","","2414.94","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 N6 O12 -","- C60 H40 N6 O12 -","- C120 H80 N12 O24 -","2","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1465","0.0565","","","0.102","0.1301","","","","","","0.939","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203302","10.9364","0.0006","8.8819","0.0005","19.9898","0.0007","90","","101.773","0.003","90","","1900.88","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H27 Mn N4 O8 -","- C48 H27 Mn N4 O8 -","- C96 H54 Mn2 N8 O16 -","2","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1035","0.064","","","0.1347","0.155","","","","","","1.033","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203303","19.8264","0.0005","19.8264","0.0005","9.446","0.0002","90","","90","","90","","3713.09","0.15","110","2","110","2","","","","","","","","6","P 42","P 4c","77","","","","- C45 H31 Cl Mn N4 O5 -","- C45 H31 Cl Mn N4 O5 -","- C180 H124 Cl4 Mn4 N16 O20 -","4","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.094","0.0637","","","0.1656","0.192","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203304","8.5521","0.0002","11.4432","0.0006","19.4875","0.0008","87.8501","0.0018","88.857","0.003","82.044","0.003","1887.22","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","1","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1016","0.0529","","","0.1141","0.1364","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203305","6.121","0.002","7.073","0.003","45.3","0.02","90","","90","","90","","1961.2","1.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.1562","0.1381","","","0.3567","0.3664","","","","","","1.426","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203306","9.4944","0.0002","10.6542","0.0003","12.8614","0.0003","90","","90","","90","","1301","0.05","173","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.0681","0.0514","","","0.1243","0.1303","","","","","","1.126","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203307","6.2453","0.0006","10.1233","0.001","16.8774","0.0017","93.037","0.002","92.521","0.002","90.826","0.002","1064.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","","- C19.25 H11 Cl3 N6 O3.5 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0551","0.0429","","","0.0987","0.1027","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203308","6.2482","0.0007","10.1684","0.0012","16.8235","0.0019","86.796","0.002","87.072","0.002","89.309","0.002","1065.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","","- C19.59 H12.18 Cl3 N6 O3.53 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0526","0.042","","","0.0975","0.1023","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203309","6.2474","0.0013","10.134","0.002","16.828","0.004","93.843","0.003","92.715","0.003","90.321","0.003","1061.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","","- C19.52 H12.04 Cl3 N6 O3.76 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0839","0.0569","","","0.1333","0.1411","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203310","17.249","0.0009","17.249","0.0009","12.0227","0.0012","90","","90","","120","","3097.9","0.4","298","2","298","2","","","","","","","","5","P 63","P 6c","173","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","","- C18 H9 Cl3 N6 O3 -","- C18 H9 Cl3 N6 O3 -","- C108 H54 Cl18 N36 O18 -","6","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.085","0.0663","","","0.1769","0.191","","","","","","1.036","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203311","6.3045","0.0007","10.1891","0.0011","17.0142","0.0019","93.247","0.002","92.607","0.002","90.35","0.002","1090","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","","- C18.55 H10.65 Cl3 N6.55 O4.1 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.1356","0.0586","","","0.1061","0.1229","","","","","","0.882","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203312","6.2589","0.0005","10.1316","0.0008","16.8663","0.0013","86.024","0.001","87.527","0.001","88.201","0.001","1065.54","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","","- C20 H13 Cl3 N6 O3.5 -","- C20 H12 Cl3 N6 O3.5 -","- C40 H24 Cl6 N12 O7 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0625","0.0455","","","0.1079","0.1168","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203317","22.29","0.003","8.5089","0.0009","19.112","0.002","90","0.005","107.798","0.012","90","0.005","3451.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(tba)(Fe(qdt)2)","","","- C32 H44 Fe N5 S4 -","- C32 H44 Fe N5 S4 -","- C128 H176 Fe4 N20 S16 -","4","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)<small><sub>2</sub></small>]<small><sup>−</sup></small> salts; an undimerised Fe<small><sup>III</sup></small> bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1572","0.0503","","","0.1169","0.1438","","","","","","0.962","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203318","10.6406","0.0012","11.3943","0.001","15.4041","0.0019","100.228","0.009","91.538","0.008","100.917","0.008","1801.1","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","(Ph)4As(Fe(qdt)2)","","","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","1","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)<small><sub>2</sub></small>]<small><sup>−</sup></small> salts; an undimerised Fe<small><sup>III</sup></small> bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1233","0.0537","","","0.0821","0.0945","","","","","","0.949","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203319","19.6228","0.0008","10.4307","0.0004","12.7867","0.0005","90","","90","","90","","2617.18","0.18","123","2","123","2","","","","","","","","4","P n n a","-P 2a 2bc","52","silver(I) 2-methylimidazolate","","","- C22 H26 Ag4 N8 -","- C22 H26 Ag4 N8 -","- C88 H104 Ag16 N32 -","4","0.5","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","mokα","","0.0274","0.0249","","","0.0642","0.0656","","","","","","1.048","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203320","12.6836","0.0016","19.726","0.002","11.1137","0.0013","90","","101.835","0.003","90","","2721.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag4 N8 -","- C24 H30 Ag4 N8 -","- C96 H120 Ag16 N32 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0507","0.0423","","","0.1048","0.1094","","","","","","1.047","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203321","7.8906","0.0007","5.9706","0.0005","10.8708","0.0009","90","","92.452","0.001","90","","511.67","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0316","0.026","","","0.0506","0.0533","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203322","6.9605","0.0014","7.3662","0.0015","8.6496","0.0017","113.41","0.03","91.97","0.03","98.06","0.03","400.98","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0537","0.0512","","","0.1497","0.1518","","","","","","1.163","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203323","3.8783","0.0009","11.217","0.003","12.564","0.003","103.511","0.004","93.34","0.005","99.507","0.004","521.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0822","0.0726","","","0.1985","0.2084","","","","","","1.122","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203324","8.5802","0.001","16.7418","0.0019","7.0007","0.0008","90","","112.504","0.002","90","","929.06","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 Cl6 N2 Pt -","- C10 H10 Br2 Cl6 N2 Pt -","- C20 H20 Br4 Cl12 N4 Pt2 -","2","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0554","0.0508","","","0.1651","0.1685","","","","","","1.137","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203339","7.478","0.001","25.381","0.005","13.776","0.003","90","","90.7","0.02","90","","2614.5","0.8","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O10 -","- C57 H92 O10 -","- C114 H184 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0659","","","","0.168","","","","","","1.63","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203340","7.465","0.0001","25.3714","0.0005","13.7625","0.0003","90","","90.605","0.001","90","","2606.44","0.08","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Cl O10 -","- C56 H89 Cl O10 -","- C112 H178 Cl2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0994","","","","0.2495","","","","","","2.539","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203341","7.463","0.001","25.378","0.003","13.764","0.002","90","","90.63","0.01","90","","2606.7","0.6","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0826","","","","0.217","","","","","","2.007","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203342","7.453","0.001","25.368","0.004","13.763","0.002","90","","90.51","0.02","90","","2602","0.7","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0636","","","","0.166","","","","","","1.197","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203343","7.475","0.002","25.385","0.007","13.809","0.004","90","","90.67","0.02","90","","2620.1","1.3","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Br O10 -","- C55 H86 Br O10 -","- C110 H172 Br2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0924","","","","0.2567","","","","","","2.594","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203344","13.625","0.003","7.745","0.001","15.218","0.003","90","","112.357","0.008","90","","1485.2","0.5","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O5 -","- C32 H51 N O5 -","- C64 H102 N2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.104","","","","0.2842","","","","","","1.101","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203345","11.9707","0.0009","8.069","0.0005","16.22","0.001","90","","111.245","0.002","90","","1460.24","0.17","198.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H52 O5 -","- C33 H52 O5 -","- C66 H104 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0793","","","","0.1951","","","","","","1.377","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203346","12.078","0.001","8.0989","0.0009","16.226","0.002","90","","111.031","0.006","90","","1481.5","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Cl O5 -","- C24 H40 O5 -","- C48 H80 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.1995","","","","0.4387","","","","","","3.447","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203347","12.083","0.002","8.1351","0.0005","16.265","0.001","90","","111.618","0.006","90","","1486.3","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0831","","","","0.2202","","","","","","1.986","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203348","13.3968","0.0005","8.0808","0.0004","14.0372","0.0006","90","","104.763","0.002","90","","1469.46","0.11","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0798","","","","0.1913","","","","","","1.575","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203349","11.9681","0.0006","8.1491","0.0003","16.3101","0.0007","90","","111.379","0.002","90","","1481.25","0.11","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Br O5 -","- C32 H49 Br O5 -","- C64 H98 Br2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0592","","","","0.1436","","","","","","1.569","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203350","7.3178","0.0002","25.8105","0.0006","13.6157","0.0003","90","","90.889","0.001","90","","2571.37","0.11","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O8 -","- C57 H92 O8 -","- C114 H184 O16 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.094","","","","0.2027","","","","","","1.374","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203354","7.4288","0.0008","10.2892","0.0011","22.174","0.002","90","","97.553","0.002","90","","1680.2","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H62 O5 -","- C38 H62 O5 -","- C76 H124 O10 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0648","0.053","","","0.1105","0.1168","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203355","9.4045","0.0009","7.9586","0.0008","11.6746","0.0012","90","","111.274","0.002","90","","814.26","0.14","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Androsterone","Androsterone","","- C19 H30 O2 -","- C19 H30 O2 -","- C38 H60 O4 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0438","0.041","","","0.1023","0.1049","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203368","23.862","0.002","13.2641","0.0011","12.2213","0.001","90","","116.676","0.003","90","","3456.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21 N4 O3 -","- C15 H21 N4 O3 -","- C120 H168 N32 O24 -","8","1","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1386","0.094","","","0.2791","0.3113","","","","","","1.043","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203369","13.6097","0.0005","14.203","0.0005","17.5902","0.0006","91.32","0.002","95.043","0.002","98.854","0.002","3344.3","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H22 N4 O3 -","- C15 H22 N4 O3 -","- C120 H176 N32 O24 -","8","4","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1063","0.0626","","","0.1558","0.1739","","","","","","1.025","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203370","12.067","0.0006","13.866","0.0007","17.6218","0.0009","73.608","0.002","71.557","0.002","66.84","0.002","2529.2","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21.67 N4 O3 -","- C15 H21.6667 N4 O3 -","- C90 H130 N24 O18 -","6","3","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1709","0.0669","","","0.1472","0.1811","","","","","","0.946","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7203371","10.276","0.003","9.891","0.002","13.244","0.003","90","","90.573","0.005","90","","1346.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu N2 O4 -","- C12 H18 Cu N2 O4 -","- C48 H72 Cu4 N8 O16 -","4","1","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.71073","MoKα","","0.1087","0.0651","","","0.1883","0.2191","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203372","12.8991","0.0012","9.7403","0.0009","18.2827","0.0018","90","","108.577","0.006","90","","2177.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O18 Zn3 -","- C36 H44 N4 O18 Zn3 -","- C72 H88 N8 O36 Zn6 -","2","0.5","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.846","synchrotron","","0.142","0.0668","","","0.1273","0.1451","","","","","","0.83","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203373","11.0874","0.0018","9.5068","0.0015","13.959","0.002","90","","105.835","0.003","90","","1415.5","0.4","359","2","359","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene form I","1,8-dipyridylnaphthalene form I","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0879","0.0487","","","0.1081","0.1189","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203374","8.297","0.0015","9.4627","0.0017","10.316","0.0018","79.87","0.003","73.067","0.003","65.092","0.003","701.4","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,8-dipyridylnaphthalene-form II","1,8-dipyridylnaphthalene-form II","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0541","0.043","","","0.1058","0.1109","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203375","13.356","0.003","6.92","0.0015","19.596","0.004","90","","106.203","0.004","90","","1739.2","0.6","187","2","187","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene-3H2O","1,8-dipyridylnaphthalene-3H2O","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.1007","0.0502","","","0.1226","0.1368","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203376","6.8515","0.0003","8.852","0.0006","10.5293","0.0007","80.655","0.006","75.043","0.004","70.363","0.004","579.07","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cu Li2 O11 -","- C6 H10 Cu Li2 O11 -","- C12 H20 Cu2 Li4 O22 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0234","0.0199","","","0.0501","0.0517","","","","","","1.114","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203377","6.827","0.001","9.517","0.002","16.406","0.003","90","","90","","90","","1065.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0684","0.0368","","","0.074","0.0851","","","","","","1.092","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203378","7.3985","0.0007","18.83","0.002","9.3201","0.0009","90","","90","","90","","1298.4","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cu K2 O11 -","- C6 H4 Cu K2 O11 -","- C24 H16 Cu4 K8 O44 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.059","0.0341","","","0.0889","0.0981","","","","","","1.076","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203379","7.2224","0.0006","9.4647","0.0005","17.017","0.002","90","","90","","90","","1163.25","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Cu O9 Rb2 -","- C6 H4 Cu O9 Rb2 -","- C24 H16 Cu4 O36 Rb8 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0867","0.0498","","","0.0936","0.1037","","","","","","1.034","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203380","7.1166","0.0006","7.1316","0.0009","7.5211","0.0006","87.334","0.008","79.428","0.007","86.698","0.008","374.36","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H8 Cs Cu O6 -","- C3 H2 Cs Cu0.5 O6 -","- C6 H4 Cs2 Cu O12 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0336","0.0287","","","0.0767","0.079","","","","","","1.091","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203388","7.925","0.005","10.643","0.006","13.886","0.008","90","","99.478","0.008","90","","1155.2","1.2","193.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 F3 N O2 -","- C12 H10 F3 N O2 -","- C48 H40 F12 N4 O8 -","4","1","","Kayaki, Yoshihito; Yamamoto, Masafumi; Suzuki, Tomoyuki; Ikariya, Takao","Carboxylative cyclization of propargylamines with supercritical carbon dioxide","Green Chemistry","2006","8","12","1019","","10.1039/b603700c","","","0.7107","MoKα","","","0.055","","","","0.162","","","","","","0.947","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203389","9.5012","0.0006","18.1017","0.0012","21.8277","0.0014","70.056","0.001","82.32","0.001","83.134","0.001","3486.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2*(methylpyrogall(4)arene)1*(1,3-bis(3-pyridylmethyl)-2- thiourea)1*(SO4 2-)1*H2O clathrate","2*(methylpyrogall[4]arene)1*(1,3-bis(3-pyridylmethyl)-2-thiourea)1*(SO4 2-)1*H2O clathrate","","- C77 H82 N4 O29 S2 -","- C77 H82 N4 O29 S2 -","- C154 H164 N8 O58 S4 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.1249","0.0508","","","0.0866","0.1039","","","","","","0.887","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203390","8.8592","0.0017","9.3271","0.0018","9.4416","0.0018","106.968","0.004","104.65","0.004","104.616","0.004","675.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","rctt-methylpyrogall(4)arene","rctt-methylpyrogall[4]arene","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.0706","0.0465","","","0.1174","0.1286","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203391","9.544","0.003","9.588","0.003","9.915","0.003","86.554","0.005","68.376","0.005","63.175","0.005","746.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C20 H36 N12 O12 -","4","2","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1752","0.0917","","","0.3044","0.3479","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203392","14.023","0.009","12.02","0.02","9.949","0.005","90","","90","","90","","1677","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C48 H88 N24 O24 -","8","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1003","0.0617","","","0.1416","0.1661","","","","","","0.996","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203393","10.713","0.003","3.858","0.002","14.347","0.005","90","","96.15","0.03","90","","589.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.0751","0.0389","","","0.0974","0.1145","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203394","7.1209","0.0008","16.3999","0.0019","15.0997","0.0016","90","","92.716","0.004","90","","1761.4","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,8-dioxo-3, 3-dimethyl-9-(4-Chloro-phenyl)- 1,2,3,4,5,6,7,8,9,10-decahydroacridine","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C84 H88 Cl4 N4 O8 -","4","1","","Wang, Guan-Wu; Miao, Chun-Bao","Environmentally benign one-pot multi-component approaches to the synthesis of novel unsymmetrical 4-arylacridinediones","Green Chemistry","2006","8","12","1080","","10.1039/b604064k","","","0.7107","MoKα","","0.0454","0.0412","","","0.0963","0.0986","","","","","","1.099","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203395","12.874","0.008","6.713","0.004","20.311","0.013","90","","94.651","0.01","90","","1749.6","1.9","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C88 H80 F4 N4 O4 -","4","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C–H⋯O hydrogen bonds and C–H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0457","0.0391","","","0.1214","0.128","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203396","7.892","0.005","10.861","0.006","10.786","0.006","90","","109.986","0.008","90","","868.8","0.9","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C44 H40 F2 N2 O2 -","2","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C–H⋯O hydrogen bonds and C–H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0283","0.0274","","","0.0723","0.0729","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203397","10.5513","0.0019","15.868","0.002","10.5844","0.0019","90","","100.578","0.006","90","","1742","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H49 Cl3 N6 -","- C35 H49 Cl3 N6 -","- C70 H98 Cl6 N12 -","2","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.71073","MoKα","","0.1819","0.0932","","","0.1866","0.2228","","","","","","1.019","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203398","10.586","0.0011","15.88","0.0017","21.868","0.002","90","","94.452","0.002","90","","3665","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 Cl3 N6 -","- C37 H53 Cl3 N6 -","- C148 H212 Cl12 N24 -","4","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.6709","synchrotron","","0.1131","0.0813","","","0.1776","0.1925","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203399","7.936","0.003","10.048","0.004","17.864","0.007","91.753","0.008","102.116","0.007","106.858","0.007","1326.5","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","benzethonium nitrate","","","- C27 H42 N2 O5 -","- C27 H42 N2 O5 -","- C54 H84 N4 O10 -","2","1","","Pernak, Juliusz; Smiglak, Marcin; Griffin, Scott T.; Hough, Whitney L.; Wilson, Timothy B.; Pernak, Anna; Zabielska-Matejuk, Jadwiga; Fojutowski, Andrzej; Kita, Kazimierz; Rogers, Robin D.","Long alkyl chain quaternary ammonium-based ionic liquids and potential applications","Green Chemistry","2006","8","9","798","","10.1039/b604353d","","","0.71073","MoKα","","0.1503","0.1123","","","0.3193","0.3388","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203404","13.8481","0.0003","16.4536","0.0002","9.1071","0.0002","90","","90","","90","","2075.06","0.07","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0244","0.0197","","","0.0479","0.0491","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203405","8.6866","0.0002","9.0585","0.0003","8.9681","0.0003","90","","115.198","0.002","90","","638.53","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu N2 O8 -","- C8 H16 Cu N2 O8 -","- C16 H32 Cu2 N4 O16 -","2","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0298","0.0228","","","0.0594","0.062","","","","","","1.104","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203406","11.67","0.002","8.408","0.002","15.323","0.003","90","","93.38","0.03","90","","1500.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cu N2 O11 -","- C8 H14 Cu N2 O11 -","- C32 H56 Cu4 N8 O44 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0484","0.0392","","","0.1018","0.1081","","","","","","1.094","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203407","8.268","0.0004","16.9351","0.0009","9.4736","0.0005","90","0.005","90","0.004","90","0.004","1326.49","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H16 Cu N2 O8 -","- C9 H16 Cu N2 O8 -","- C36 H64 Cu4 N8 O32 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0581","0.0426","","","0.0905","0.096","","","","","","1.106","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203408","7.3346","0.0003","13.6142","0.0003","7.9365","0.0003","90","","97.519","0.003","90","","785.68","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O10 -","- C10 H18 Cu N2 O10 -","- C20 H36 Cu2 N4 O20 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0504","0.0367","","","0.0786","0.0829","","","","","","1.046","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203409","13.6559","0.0018","16.4436","0.0009","9.0876","0.0009","90","","90","","90","","2040.6","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0261","0.0226","","","0.0499","0.0508","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203416","7.776","0.0008","11.0545","0.0011","56.587","0.006","90","","90","","90","","4864.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","distrychninium N-4-nitrobenzoyl-D-glutamate tetrahydrate","","- C54 H64 N6 O15 -","- C54 H64 N6 O15 -","- C216 H256 N24 O60 -","4","1","","Agata Białońska; Zbigniew Ciunik","Hydrophilic and hydrophobic pockets at surfaces of strychninium self-assemblies in pseudopolymorphous crystals of strychninium salts","CrystEngComm","2006","8","8","640","","10.1039/b605203g","","","1.5418","CuKα","","0.0796","0.0633","","","0.1539","0.1689","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203417","13.3317","0.0003","23.5623","0.0003","29.911","0.0006","90","","93.319","0.001","90","","9380","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound CS121","","","- C12 H105 Mo12 N36 Na O73 P8 -","- C12 H76 Mo12 N36 Na O72.7 P8 -","- C48 H304 Mo48 N144 Na4 O290.8 P32 -","4","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0814","0.0436","","","0.0977","0.1096","","","","","","1.035","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203418","16.9408","0.0004","17.8534","0.0002","26.8981","0.0005","95.992","0.001","90.013","0.001","113.569","0.001","7408.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Compound CS120","","","- C56 H119 Mo12 N42 Na O75 P8 -","- C56 H58 Mo12 N42 Na O74 P8 -","- C112 H116 Mo24 N84 Na2 O148 P16 -","2","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.1025","0.0787","","","0.2098","0.2252","","","","","","1.05","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203419","13.4228","0.0002","13.4215","0.0003","14.7383","0.0003","98.443","0.001","104.914","0.001","119.049","0.001","2123.7","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Compound CS107","","","- C12 H105 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","1","0.5","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0384","0.0336","","","0.0819","0.0841","","","","","","1.074","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203432","11.1587","0.0004","18.9115","0.0007","10.3217","0.0004","90","","109.832","0.001","90","","2048.98","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-amino-2-methyl-4'-hydroxydiphenyl","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0771","0.042","","","0.1027","0.1172","","","","","","1.019","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203433","11.1587","0.0002","9.5748","0.0002","19.9175","0.0004","90","","96.332","0.001","90","","2115.05","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0805","0.0406","","","0.0984","0.1171","","","","","","0.958","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203434","8.898","0.003","8.898","0.003","7.679","0.003","90","","90","","90","","608","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","1","0.25","","Cédric Borel; Mikael Håkansson; Lars Öhrström","Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)<small><sub>2</sub></small>]<small><sub>2</sub></small>]<small><sub><i>n</i></sub></small>","CrystEngComm","2006","8","9","666","","10.1039/b605762d","","","0.71073","MoKα","","0.0716","0.0685","","","0.178","0.1823","","","","","","1.114","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203435","10.956","0.002","27.56","0.006","31.9","0.006","90","","90","","90","","9632","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H82 N24 O18 Pr2 Ru3 -","- C78 H46 N24 O18 Pr2 Ru3 -","- C312 H184 N96 O72 Pr8 Ru12 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.062","0.0494","","","0.1396","0.1491","","","","","","1.076","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203436","14.273","0.0007","27.8052","0.0014","17.0891","0.0009","90","","101.957","0.002","90","","6634.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 K N16 O14 Ru2 Yb -","- C56 H42 K N16 O14 Ru2 Yb -","- C224 H168 K4 N64 O56 Ru8 Yb4 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.0864","0.0565","","","0.1558","0.1726","","","","","","1.053","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203437","21.5398","0.0008","26.248","0.0008","17.1392","0.0007","90","","90","","90","","9690.1","0.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H51 N12 O14 Pr Ru1.5 -","- C39 H23 N12 O14 Pr Ru1.5 -","- C312 H184 N96 O112 Pr8 Ru12 -","8","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.1216","0.0797","","","0.1964","0.2167","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203438","11.219","0.0003","12.8515","0.0003","14.1651","0.0004","82.272","0.001","88.467","0.001","75.715","0.001","1961.17","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","(E,E)-2-(4-Ethoxy-3-methoxybenzylidene)-6-(4- methoxybenzylidene)cyclohexanone","(E,E)-2-(4-Ethoxy-3-methoxybenzylidene)-6-(4-methoxybenzylidene)cyclohexanone","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","2","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0655","0.045","","","0.1069","0.1177","","","","","","1.024","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203439","7.8646","0.0003","9.683","0.0003","11.3746","0.0005","95.587","0.001","102.801","0.001","91.992","0.002","839.25","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(E,E)-2-(4-Methoxybenzylidene)-6-(4- nitrobenzylidene)cyclohexanone","(E,E)-2-(4-Methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0658","0.04","","","0.0904","0.1018","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203440","18.5748","0.0001","6.2641","0.0001","15.9337","0.0001","90","","115.194","0.001","90","","1677.59","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E,E)-2-((6-Bromopyridin-2-yl)methylene)-6-(4- methoxybenzylidene)cyclohexanone","(E,E)-2-((6-Bromopyridin-2-yl)methylene)-6-(4-methoxybenzylidene)cyclohexanone","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0656","0.0371","","","0.0697","0.0763","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203441","11.5683","0.0004","12.3023","0.0004","13.6088","0.0005","98.825","0.001","110.125","0.002","111.483","0.002","1603.3","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","(E)-N,N-dimethyl-9-(naphthalen-1-yl)-5-(naphthalen-2-ylmethylene) -2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-xanthen-4a-amine hydrochloride salt","","- C36 H38 Cl N O -","- C36 H38 Cl N O -","- C72 H76 Cl2 N2 O2 -","2","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.1809","0.0644","","","0.1623","0.2063","","","","","","0.988","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203442","10.0896","0.0001","13.29","0.0002","16.6649","0.0003","90","","103.981","0.001","90","","2168.41","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N,N-dimethyl-9-(pyridin-4-yl)-5-(pyridin-4-ylmethylene) -2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-xanthen-4a-amine","","- C26 H31 N3 O -","- C26 H31 N3 O -","- C104 H124 N12 O4 -","4","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0836","0.0498","","","0.0985","0.1113","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203443","8.763","0.0002","10.924","0.0002","20.1019","0.0005","90","","90","","90","","1924.29","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7a-Dimethylamino-5,6,7,7a-tetrahydro-4H-benzofuran-2-one","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C80 H120 N8 O16 -","8","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0935","0.0496","","","0.1182","0.1495","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203444","19.045","0.003","16.627","0.002","18.618","0.003","90","","118.047","0.008","90","","5203.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexyl bromo calixarene, acetonitrile","hexyl bromo calixarene, acetonitrile","","- C54 H63 I4 N O8 -","- C54 H63 I4 N O8 -","- C216 H252 I16 N4 O32 -","4","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.1","0.0449","","","0.0956","0.12","","","","","","1.013","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203445","25.359","0.002","22.2099","0.0019","12.1129","0.001","90","","90","","90","","6822.2","1","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","tetra-(3-pyridyl)ethynyl calixarene","tetra-(3-pyridyl)ethynyl calixarene","","- C82 H83 N5 O10 -","- C82 H83 N5 O10 -","- C328 H332 N20 O40 -","4","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.0638","0.0558","","","0.1338","0.1401","","","","","","1.076","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203446","18.2204","0.001","19.0609","0.0013","19.287","0.0014","105.18","0.01","113.6","0.01","108.25","0.01","5220.5","1.2","220","2","220","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1373","0.0504","","","0.126","0.1664","","","","","","0.877","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203447","17.412","0.001","18.845","0.001","19.252","0.001","105.84","0.01","104.51","0.01","112.99","0.01","5119.4","1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1749","0.0585","","","0.1068","0.1481","","","","","","0.912","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203448","13.015","0.002","9.581","0.003","32.611","0.006","90","","90","","90","","4066.5","1.6","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N'-dimethyl-4-((trimethylsilyl)ethynyl)-aniline","N,N'-dimethyl-4-[(trimethylsilyl)ethynyl]-aniline","","- C13 H19 N Si -","- C13 H19 N Si -","- C156 H228 N12 Si12 -","12","1.5","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.0506","0.0379","","","0.0952","0.1005","","","","","","1.009","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203449","9.139","0.003","10.665","0.004","14.968","0.006","103.458","0.006","96.406","0.007","97.493","0.007","1391.4","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Co N6 O2 S2 -","- C27 H26 Co N6 O2 S2 -","- C54 H52 Co2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0919","0.0527","","","0.1015","0.1207","","","","","","1.061","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203450","9.0804","0.0012","10.663","0.0013","14.8873","0.0019","103.457","0.002","96.601","0.002","97.377","0.002","1374.5","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 N6 Ni O2 S2 -","- C27 H26 N6 Ni O2 S2 -","- C54 H52 N12 Ni2 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0678","0.0421","","","0.1028","0.1123","","","","","","1.038","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203451","9.4775","0.0018","13.038","0.003","17.523","0.003","75.595","0.002","75.36","0.002","71.835","0.002","1956.2","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0875","0.0485","","","0.1122","0.1305","","","","","","1.029","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203452","9.708","0.003","12.9","0.004","17.142","0.006","71.91","0.005","75.596","0.005","71.955","0.005","1912.4","1.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","","MoKα","","0.0857","0.0474","","","0.1199","0.1324","","","","","","1.017","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203453","7.845","0.004","10.255","0.004","17.677","0.007","78.625","0.006","83.681","0.006","78.665","0.004","1363.2","1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Fe N6 O2 S2 -","- C26 H24 Fe N6 O2 S2 -","- C52 H48 Fe2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0753","0.0489","","","0.1329","0.1476","","","","","","1.139","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203454","15.976","0.006","7.232","0.003","13.109","0.005","90","","95.374","0.004","90","","1507.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 Pb S2 -","- C14 H10 N4 Pb S2 -","- C56 H40 N16 Pb4 S8 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0597","0.056","","","0.1662","0.1684","","","","","","1.062","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203455","12.7148","0.0008","4.4248","0.0003","11.6928","0.0007","90","","90","","90","","657.84","0.07","293","2","293","2","","","","","","","","5","I m 2 m","I -2 -2","44","","","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0409","0.0264","","0.0437","0.0411","","","","0.93","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203456","13.3881","0.001","4.2929","0.0003","12.2521","0.0009","90","","108.273","0.002","90","","668.67","0.08","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.023","0.0222","","0.0561","0.0556","","","","1.083","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203457","25.028","0.003","4.4533","0.0005","11.8686","0.0014","90","","90","","90","","1322.8","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H14 Ag N3 O3 -","- C13 H14 Ag N3 O3 -","- C52 H56 Ag4 N12 O12 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0901","0.0897","","0.1402","0.1401","","","","1.401","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203458","12.029","0.003","11.995","0.003","9.153","0.002","90","","91.951","0.006","90","","1319.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C52 H64 Cl4 N8 Ni2 O4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0593","0.047","","0.1638","0.1516","","","","1.203","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203459","5.66","0.001","9.323","0.003","12.687","0.004","103.6","0.02","93.39","0.02","102.01","0.02","632.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.1767","0.0619","","0.166","0.135","","","","0.97","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203460","5.6911","0.0007","9.5004","0.0012","12.7455","0.0016","104.059","0.005","92.721","0.005","102.425","0.005","649.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0578","0.0385","","0.1084","0.099","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203461","5.837","0.003","9.424","0.005","13.329","0.005","105.58","0.04","98.08","0.04","105.89","0.04","660.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0743","0.0405","","0.1122","0.1012","","","","1.02","","","","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203462","8.678","0.002","12.213","0.003","13.691","0.003","85.497","0.004","77.327","0.004","82.58","0.004","1401.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C52 H56 Cd4 Cl8 N8 -","4","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0219","0.0193","","0.0522","0.0509","","","","0.982","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203463","26.216","0.0013","8.7667","0.0005","11.8792","0.0006","90","","91.216","0.002","90","","2729.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cl2 Mn N2 -","- C13 H14 Cl2 Mn N2 -","- C104 H112 Cl16 Mn8 N16 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.038","0.0284","","0.0817","0.0757","","","","1.025","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203464","6.4441","0.0012","10.0237","0.0019","12.366","0.002","104.701","0.004","95.868","0.004","94.544","0.004","764","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0449","0.0331","","0.1017","0.0962","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203465","30.884","0.002","8.1009","0.0006","12.0897","0.0008","90","","99.461","0.001","90","","2983.6","0.4","150","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd3 Cl6 N4 -","- C26 H28 Cd3 Cl6 N4 -","- C104 H112 Cd12 Cl24 N16 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0344","0.0309","","0.0965","0.0854","","","","1.351","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203466","18.0645","0.0005","18.0645","0.0005","19.0889","0.0007","90","","90","","120","","5394.7","0.3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H30 Ag N7 O3 -","- C39 H30 Ag N7 O3 -","- C234 H180 Ag6 N42 O18 -","6","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0454","0.0391","","0.1388","0.1288","","","","1.126","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203469","7.6917","0.0015","7.7273","0.0015","20.524","0.004","90","","90","","90","","1219.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)trichloroplumbate(ii)","(S-(β)-phenethylammonium)trichloroplumbate(II)","","- C8 H12 Cl3 N Pb -","- C8 H12 Cl3 N Pb -","- C32 H48 Cl12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0279","0.0254","","","0.0609","0.0619","","","","","","1.049","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203470","7.9199","0.0011","8.1392","0.0011","20.555","0.003","90","","90","","90","","1325","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)tribromoplumbate(ii)","(S-(β)-phenethylammonium)tribromoplumbate(II)","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0389","0.0295","","","0.0648","0.0675","","","","","","1.011","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203471","8.0814","0.0012","8.6983","0.0013","21.337","0.003","90","","90","","90","","1499.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0332","0.0276","","","0.0592","0.0608","","","","","","1.131","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203472","8.095","0.0012","8.7141","0.0013","21.368","0.003","90","","90","","90","","1507.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0382","0.0274","","","0.0542","0.0565","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203473","28.826","0.005","7.812","0.0013","27.055","0.005","90","","92.684","0.004","90","","6085.8","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Cl5 N3 O Pb -","- C24 H38 Cl5 N3 O Pb -","- C192 H304 Cl40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0507","0.0305","","","0.0605","0.0655","","","","","","1.055","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203474","29.171","0.004","8.1095","0.0012","27.656","0.004","90","","92.234","0.003","90","","6537.4","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Br5 N3 O Pb -","- C24 H38 Br5 N3 O Pb -","- C192 H304 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0682","0.0387","","","0.0799","0.0877","","","","","","1.021","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203475","8.868","0.005","9.247","0.005","28.729","0.005","90","","90","","90","","2355.8","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((R)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((R)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71069","MoKα","","0.0481","0.0405","","","0.083","0.0851","","","","","","1.174","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203476","8.8531","0.0017","9.2312","0.0018","28.65","0.006","90","","90","","90","","2341.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((S)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((S)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0419","0.0316","","","0.0753","0.0776","","","","","","1.077","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203479","7.9664","0.0009","16.5707","0.0018","10.501","0.0011","90","","107.048","0.006","90","","1325.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O10 -","- C30 H26 N2 O10 -","- C60 H52 N4 O20 -","2","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0633","0.0423","","","0.1034","0.1148","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203480","7.5128","0.0004","7.8323","0.0005","20.1764","0.0014","94.067","0.004","99.125","0.004","94.832","0.004","1163.75","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O8 -","- C28 H18 N2 O8 -","- C56 H36 N4 O16 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0687","0.0484","","","0.1236","0.1432","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203481","7.3019","0.0001","8.9102","0.0001","10.784","0.0002","80.311","0.001","77.528","0.001","78.283","0.001","665.083","0.017","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0642","0.044","","","0.1113","0.1254","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203482","7.7829","0.0005","9.8027","0.0007","15.4096","0.001","97.584","0.005","97.404","0.004","107.85","0.004","1091.26","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O8 S4 -","- C20 H12 N2 O8 S4 -","- C40 H24 N4 O16 S8 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0824","0.0406","","","0.0885","0.1038","","","","","","1.005","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203483","5.1088","0.0005","5.3102","0.0006","12.3475","0.0015","90.588","0.009","98.023","0.008","95.211","0.008","330.23","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0428","0.0369","","","0.0944","0.0995","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203484","21.3144","0.0005","21.3144","0.0005","17.3882","0.0008","90","","90","","120","","6841.2","0.4","150","","150","","","","","","","","","7","P -6","P -6","174","","","","- C28 H40 F9 La N3 O20.5 S3 -","- C28 H24 F9 La N3 O20.5 S3 -","- C168 H144 F54 La6 N18 O123 S18 -","6","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0771","0.0439","","","0.096","0.1121","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203485","8.63","0.0001","11.3501","0.0001","11.4308","0.0001","65.221","0.001","89.753","0.001","82.527","0.001","1006.37","0.019","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C29 H30 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","1","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0394","0.0382","","","0.0677","0.0685","","","","","","0.963","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203486","3.744","0.001","6.032","0.001","18.631","0.002","97.66","0.01","92.28","0.01","90.47","0.01","416.64","0.14","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cl N O3 -","- C8 H7 Cl N O3 -","- C16 H14 Cl2 N2 O6 -","2","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.059","0.044","","0.1227","0.1047","","","","1.051","1.081","1.081","","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203487","5.0843","0.0003","8.3131","0.0005","15.9637","0.0008","77.76","0.003","89.771","0.003","74.353","0.003","633.94","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","1","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0732","0.042","","0.1061","0.0941","","","","1.024","1.102","1.102","","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203488","9.2224","0.0004","10.0926","0.0005","10.0772","0.0005","90","","113.116","0.003","90","","862.66","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0751","0.0541","","0.1585","0.1436","","","","1.027","1.075","1.075","","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203489","36.856","0.002","5.1674","0.0002","29.4327","0.0018","90","","112.806","0.002","90","","5167.2","0.5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C208 H288 N16 O48 -","8","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.1736","0.0589","","","0.1184","0.1565","","","","","","0.925","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203490","6.0884","0.0016","17.675","0.004","19.404","0.004","90","","90","","90","","2088.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0534","0.0404","","","0.0916","0.1007","","","","","","1.092","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203491","6.0982","0.0014","17.667","0.004","19.405","0.004","90","","90","","90","","2090.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.049","0.039","","","0.1016","0.1097","","","","","","1.039","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203492","6.1046","0.0013","17.656","0.004","19.423","0.004","90","","90","","90","","2093.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0513","0.0405","","","0.1059","0.1136","","","","","","1.022","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203493","6.1154","0.0013","17.642","0.004","19.443","0.004","90","","90","","90","","2097.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0566","0.045","","","0.1222","0.1319","","","","","","1.054","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203494","6.1363","0.0008","17.631","0.002","19.45","0.002","90","","90","","90","","2104.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0779","0.0546","","","0.1446","0.1615","","","","","","0.978","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203495","6.1416","0.001","17.622","0.003","19.468","0.003","90","","90","","90","","2107","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0908","0.0626","","","0.1743","0.1967","","","","","","1.001","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203496","6.1508","0.0009","17.596","0.002","19.478","0.003","90","","90","","90","","2108.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1046","0.073","","","0.2058","0.2283","","","","","","0.976","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203497","6.1598","0.0009","17.563","0.002","19.5","0.003","90","","90","","90","","2109.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1242","0.0872","","","0.2509","0.2781","","","","","","0.994","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203498","6.1549","0.0009","17.572","0.002","19.491","0.003","90","","90","","90","","2108","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1156","0.08","","","0.232","0.2584","","","","","","1.011","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203499","6.1644","0.0009","17.546","0.003","19.52","0.003","90","","90","","90","","2111.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1373","0.0972","","","0.2748","0.3017","","","","","","1.012","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203500","6.1732","0.001","17.519","0.003","19.547","0.003","90","","90","","90","","2114","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1688","0.1208","","","0.3245","0.3508","","","","","","1.122","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203501","6.1783","0.0012","17.515","0.003","19.569","0.003","90","","90","","90","","2117.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2027","0.1412","","","0.3667","0.3968","","","","","","1.223","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203502","6.1916","0.0013","17.515","0.004","19.583","0.003","90","","90","","90","","2123.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2394","0.163","","","0.4032","0.4348","","","","","","1.268","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203506","32.672","0.008","15.404","0.004","19.582","0.005","90","","92.376","0.004","90","","9847","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C112 H180 O4 -","- C112 H180 O4 -","- C448 H720 O16 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.2321","0.0904","","","0.2391","0.3371","","","","","","1.015","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203507","15.6","0.005","19.664","0.006","33.103","0.01","85.879","0.005","76.899","0.005","87.243","0.005","9859","5","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C107 H176 O4 -","- C107 H176 O4 -","- C428 H704 O16 -","4","2","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.3422","0.1136","","","0.2675","0.4111","","","","","","0.893","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203508","11.221","0.002","5.4718","0.0011","30.459","0.006","90","","93.79","0.03","90","","1866.1","0.6","100","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","2","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.062","0.0564","","","0.1217","0.1243","","","","","","1.13","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203509","5.6782","0.0006","11.3687","0.0012","30.306","0.003","90","","90","","90","","1956.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.1055","0.0618","","","0.1284","0.1472","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203510","10.2487","0.001","12.5428","0.0012","13.341","0.0013","90","","90","","90","","1715","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.0397","0.0355","","","0.083","0.0851","","","","","","1.156","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203511","10.475","0.003","12.572","0.004","13.554","0.004","90","","90","","90","","1784.9","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.2943","0.1023","","","0.1824","0.2196","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203536","27.0695","0.0016","6.1051","0.0004","32.4245","0.0019","90","","111.443","0.001","90","","4987.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","2","","De, Senjuti; Chowdhury, Shubhamoy; Tocher, Derek A.; Datta, Dipankar","Molecular and supramolecular structures of benzil dihydrazone, an organic helical molecule. Comparison with diacetyl dihydrazone","CrystEngComm","2006","8","9","670","","10.1039/b608107j","","","0.71073","MoKα","","0.0661","0.0577","","","0.132","0.1371","","","","","","1.099","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203540","38.7756","0.0005","28.6296","0.0005","19.9225","0.0003","90","","94.3539","0.001","90","","22052.7","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H56 Cu N8 O12 -","- C76 H56 Cu N8 O12 -","- C608 H448 Cu8 N64 O96 -","8","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1027","0.0643","","","0.1735","0.1902","","","","","","0.963","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203541","13.523","0.0006","16.0078","0.0006","18.4755","0.0009","108.332","0.0018","93.617","0.002","106.441","0.003","3590.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H43 N7 O9 Ru -","- C64 H43 N7 O9 Ru -","- C128 H86 N14 O18 Ru2 -","2","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1026","0.0718","","","0.2025","0.2154","","","","","","1.033","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203542","17.3027","0.0002","14.0365","0.0002","22.2494","0.0003","90","","90","","90","","5403.7","0.12","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O12 Pd S4 -","- C56 H52 N4 O12 Pd S4 -","- C224 H208 N16 O48 Pd4 S16 -","4","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.0648","0.0426","","","0.1133","0.1272","","","","","","1.025","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203543","10.3278","0.0005","11.8814","0.0005","18.0329","0.0009","100.305","0.0015","104.992","0.002","98.599","0.002","2057.88","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","1","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.099","0.0757","","","0.1936","0.2065","","","","","","1.043","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203544","7.4613","0.0015","12.954","0.003","14.179","0.003","65.251","0.002","74.747","0.003","78.16","0.003","1193.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Saccharin, pyridine","Saccharin, pyridine","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0869","0.0505","","","0.1231","0.1413","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203545","9.705","0.011","11.706","0.013","10.411","0.011","90","","105.089","0.019","90","","1142","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 4,4'-bipyridine","Saccharin, 4,4'-bipyridine","","- C24 H18 N4 O6 S2 -","- C24 H18 N4 O6 S2 -","- C48 H36 N8 O12 S4 -","2","0.5","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.1036","0.0438","","","0.0899","0.107","","","","","","0.899","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203546","7.4299","0.0005","11.1506","0.0007","15.345","0.0009","88.095","0.001","76.717","0.001","81.49","0.001","1223.67","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 4-picoline","saccharin, 4-picoline","","- C13 H12 N2 O3 S -","- C13 H12 N2 O3 S -","- C52 H48 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0411","0.0388","","","0.0981","0.0995","","","","","","1.138","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203547","6.9157","0.0012","17.351","0.003","10.6553","0.0018","90","","102.421","0.002","90","","1248.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","saccharine, isonicotinamide","saccharine, isonicotinamide","","- C13 H11 N3 O4 S -","- C13 H11 N3 O4 S -","- C52 H44 N12 O16 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0521","0.0417","","","0.0951","0.101","","","","","","1.018","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203548","12.1321","0.0009","8.3859","0.0006","13.1779","0.001","90","","112.61","0.001","90","","1237.66","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 3-aminopyridine","Saccharin, 3-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C48 H44 N12 O12 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0336","0.0323","","","0.0878","0.0889","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203549","13.7712","0.0012","12.4593","0.0011","14.3461","0.0013","90","","90","","90","","2461.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Saccharin, 2-aminopyridine","saccharin, 2-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C96 H88 N24 O24 S8 -","8","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0448","0.0394","","","0.0961","0.099","","","","","","1.113","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203550","7.2644","0.0015","7.382","0.0015","13.752","0.003","98.667","0.003","95.025","0.003","100.566","0.003","711.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 2-amino-4,6-dimethylpyrimidine","saccharin, 2-amino-4,6-dimethylpyrimidine","","- C13 H14 N4 O3 S -","- C13 H14 N4 O3 S -","- C26 H28 N8 O6 S2 -","2","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0539","0.0459","","","0.1222","0.1288","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203551","15.4801","0.0009","18.8355","0.0012","18.5273","0.0008","90","","102.642","0.003","90","","5271.1","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C110 H162 Ba N2 O22 -","- C110 H162 Ba N2 O22 -","- C220 H324 Ba2 N4 O44 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene – 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1395","0.0919","","","0.2212","0.2604","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203552","16.1945","0.0006","22.5902","0.0009","20.9304","0.0006","90","","103.591","0.002","90","","7442.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H114 N2 O21 Sr U -","- C68 H114 N2 O21 Sr U -","- C272 H456 N8 O84 Sr4 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.073","0.0469","","","0.1052","0.116","","","","","","1.028","","","","has coordinates,has disorder","189177","2020-10-21","18:00:00",""
"7203553","12.8244","0.0003","22.0852","0.0005","29.4456","0.0008","90","","91.312","0.001","90","","8337.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H120 Ba N2 O24 U -","- C68 H120 Ba N2 O24 U -","- C272 H480 Ba4 N8 O96 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene – 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.0746","0.0575","","","0.1511","0.1634","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203554","18.8808","0.0013","19.0624","0.0019","22.4431","0.0019","66.304","0.005","73.525","0.006","66.252","0.005","6698.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H194 Ba N4 O29 U2 -","- C122 H194 Ba N4 O29 U2 -","- C244 H388 Ba2 N8 O58 U4 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene – 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1451","0.0982","","","0.2242","0.2515","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203555","14.806","0.013","7.155","0.006","7.82","0.007","90","","94.861","0.014","90","","825.4","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-4-ethylphenol","2-amino-4-ethylphenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.1872","0.0806","","","0.1759","0.2201","","","","","","0.927","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203556","15.1054","0.0013","6.0153","0.0005","8.4629","0.0007","90","","99.582","0.001","90","","758.24","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3 amino 2 naphthol","3 amino 2 naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.0441","0.0415","","","0.1099","0.1121","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203557","18.9615","0.0003","11.942","0.0003","12.8415","0.0002","90","","125.675","0.001","90","","2362.13","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]manganese(II) dimethanol solvate (1.2CH~3~OH)","","- C18 H24 Cl2 Mn N8 O2 -","- C18 H24 Cl2 Mn N8 O2 -","- C72 H96 Cl8 Mn4 N32 O8 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0468","0.0406","","","0.1185","0.1239","","","","","","1.054","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203558","10.7275","0.0002","11.662","0.0002","11.9305","0.0002","95.9291","0.0006","96.0695","0.0006","110.075","0.001","1378.36","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]iron(III) chloride tetrakis-methanol solvate (2.4CH~3~OH)","","- C20 H32 Cl3 Fe N8 O4 -","- C20 H32 Cl3 Fe N8 O4 -","- C40 H64 Cl6 Fe2 N16 O8 -","2","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0522","0.036","","","0.0895","0.0974","","","","","","1.022","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203559","7.2901","0.0003","28.8637","0.0008","11.8758","0.0006","90","","107.874","0.002","90","","2378.28","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) diperchlorate methanol solvate (3.CH~3~OH)","","- C17 H20 Cl2 Cu N8 O9 -","- C17 H20 Cl2 Cu N8 O9 -","- C68 H80 Cl8 Cu4 N32 O36 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0852","0.0583","","","0.1531","0.1682","","","","","","1.047","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203560","20.5384","0.0007","8.2388","0.0002","14.5781","0.0006","90","","101.409","0.0013","90","","2418.04","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[5-amino-3-(pyrid-2-yl)pyrazole][acetonitrile]copper(II) diperchlorate (4)","","- C18 H19 Cl2 Cu N9 O8 -","- C18 H19 Cl2 Cu N9 O8 -","- C72 H76 Cl8 Cu4 N36 O32 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0654","0.0458","","","0.121","0.1329","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203561","14.3848","0.0002","16.214","0.0002","34.3029","0.0005","90","","90","","90","","8000.64","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Nitrato-bis(5-amino-3-(pyrid-2-yl)pyrazole)copper(ii) nitrate hydrate (0.5/0.13) (5.xH!2$O; x = 0.13)","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) nitrate hydrate (0.5/0.13) (5.xH~2~O; x = 0.13)","","- C16 H16.26 Cu N10 O6.13 -","- C16 H16 Cu N10 O6.13 -","- C256 H256 Cu16 N160 O98.08 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.1364","0.0576","","","0.1373","0.1661","","","","","","1.01","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203562","14.168","0.0001","16.4064","0.0002","35.0658","0.0004","90","","90","","90","","8150.9","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]zinc(II) nitrate hydrate (0.5/0.29) (5.xH~2~O; x = 0.29)","","- C16 H16.58 N10 O6.29 Zn -","- C16 H16 N10 O6.29 Zn -","- C256 H256 N160 O100.64 Zn16 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0713","0.0476","","","0.1224","0.134","","","","","","1.054","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203563","12.3753","0.0007","17.13","0.0013","16.3243","0.0012","90","","110.892","0.004","90","","3233.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(5-amino-3-{pyrid-2-yl}pyrazolido)dicopper(II) hydrate (0.5/0.25) (7.xH~2~O; x = 0.25)","","- C32 H28.5 Cu2 N16 O0.25 -","- C32 H28 Cu2 N16 O0.255 -","- C128 H112 Cu8 N64 O1.02 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0897","0.0678","","","0.1699","0.1947","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203566","18.499","0.009","8.626","0.008","19.255","0.009","90","","90","","90","","3073","4","230","","230","0.2","","","","","","","see text","6","P c a 21","P 2c -2ac","29","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","","- C8 H11 F6 N3 O4 S2 -","- C8 H11 F6 N3 O4 S2 -","- C64 H88 F48 N24 O32 S16 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.1465","0.0823","","","0.1936","0.2225","","","","","","0.948","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203567","10.183","0.005","12.384","0.007","18.294","0.008","90","","90","","90","","2307","2","150","","150","0.2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","","- C7 H11 F3 N2 O3 S -","- C7 H11 F3 N2 O3 S -","- C56 H88 F24 N16 O24 S8 -","8","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.0738","0.0519","","","0.1249","0.1341","","","","","","1.139","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203568","12.526","0.003","10.179","0.002","12.332","0.003","90","","115.038","0.004","90","","1424.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis((1-pyrazolyl)methyl)benzene, (3,5-dinitrobenzoic acid)2","1,4-bis[(1-pyrazolyl)methyl]benzene, (3,5-dinitrobenzoic acid)2","","- C28 H22 N8 O12 -","- C28 H22 N8 O12 -","- C56 H44 N16 O24 -","2","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0518","0.0453","","","0.1194","0.1245","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203569","7.5783","0.0008","7.901","0.0009","14.1442","0.0013","103.784","0.007","101.429","0.007","90.509","0.006","804.8","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene, (2,6-Cl2PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene, (2,6-Cl2PhCOOH)2","","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","1","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0804","0.0666","","","0.1956","0.206","","","","","","1.357","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203570","8.8093","0.0006","14.7493","0.001","15.4238","0.0012","67.222","0.004","82.777","0.004","86.232","0.004","1832.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene (Me5-PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene (Me5-PhCOOH)2","","- C42 H54 N4 O4 -","- C42 H54 N4 O4 -","- C84 H108 N8 O8 -","2","1","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.1184","0.0798","","","0.2154","0.2413","","","","","","1.231","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203571","8.6489","0.0014","14.576","0.003","15.257","0.003","88.236","0.008","80.342","0.007","88.046","0.008","1894.4","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cu N6 O7 -","- C44 H40 Cu N6 O7 -","- C88 H80 Cu2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1514","0.0997","","","0.1906","0.2107","","","","","","1.235","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203572","5.1824","0.0002","15.3047","0.0008","11.2209","0.0005","90","","100.618","0.003","90","","874.75","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0697","0.041","","","0.1023","0.1129","","","","","","0.989","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203573","24.7921","0.0009","5.9555","0.0002","11.8649","0.0003","90","","101.992","0.002","90","","1713.61","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0973","0.0787","","","0.1487","0.1558","","","","","","1.075","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203574","6.6661","0.0002","12.8086","0.0004","10.5343","0.0004","90","","105.883","0.001","90","","865.12","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0464","0.0385","","","0.1016","0.1062","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203575","11.2284","0.0016","13.9722","0.0019","14.47","0.003","104.476","0.004","97.445","0.005","99.866","0.007","2129.9","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Cd N6 O7 -","- C44 H46.5 Cd N6 O7 -","- C88 H93 Cd2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.2044","0.1343","","","0.1864","0.2092","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203576","18.9609","0.0005","20.1474","0.0006","18.4747","0.0004","90","","96.418","0.002","90","","7013.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H79 Cd Cl2 N6 O12 -","- C66 H79 Cd Cl2 N6 O12 -","- C264 H316 Cd4 Cl8 N24 O48 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0783","0.0604","","","0.1175","0.1248","","","","","","1.078","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203577","17.707","0.006","20.119","0.003","19.17","0.009","90","","90","","90","","6829","4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 Co N8 O8 -","- C66 H76 Co N8 O8 -","- C264 H304 Co4 N32 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.159","0.1122","","","0.2218","0.2373","","","","","","1.219","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203578","17.707","0.003","20.072","0.004","19.219","0.002","90","","90","","90","","6830.7","1.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 N8 Ni O8 -","- C66 H76 N8 Ni O8 -","- C264 H304 N32 Ni4 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1289","0.097","","","0.1955","0.208","","","","","","1.077","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203579","12.71","0.003","25.181","0.005","13.499","0.003","90","","90","","90","","4320.4","1.6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H50 Cd N6 O7 -","- C44 H50 Cd N6 O7 -","- C176 H200 Cd4 N24 O28 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0576","0.0442","","","0.1138","0.1211","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203582","20.457","0.011","25.429","0.014","14.537","0.008","90","","122.662","0.006","90","","6366","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 Co N15 O5 -","- C48 H56 Co N15 O5 -","- C192 H224 Co4 N60 O20 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0953","0.0525","","","0.1387","0.1752","","","","","","1.035","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203583","22.923","0.003","24.682","0.004","8.334","0.0012","90","","90","","90","","4715.3","1.2","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Co N18 -","- C46 H44 Co N18 -","- C184 H176 Co4 N72 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.1659","0.057","","","0.1152","0.1535","","","","","","1.005","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203584","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H46 Co N18 O -","- C46 H44 Co N18 O -","- C184 H176 Co4 N72 O4 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0711","0.0498","","","0.1541","0.1717","","","","","","1.063","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203585","9.0541","0.0018","18.159","0.004","9.7343","0.0019","90","","91.2","0.03","90","","1600.1","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumarate","","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C60 H68 N4 O32 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0729","0.05","","","0.1094","0.1188","","","","","","1.11","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203586","9.8746","0.0004","7.1925","0.0004","12.2559","0.0005","90","","96.81","0.003","90","","864.31","0.07","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0723","0.0503","","","0.1179","0.131","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203587","10.0598","0.0003","7.3023","0.0003","12.2512","0.0004","90","","97.47","0.002","90","","892.33","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0571","0.0426","","","0.1073","0.1163","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203588","3.9653","0.0001","13.7652","0.0004","20.0488","0.0006","90","","91.603","0.001","90","","1093.9","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0707","0.0497","","","0.1197","0.1327","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203589","4.8672","0.001","12.763","0.003","14.374","0.003","90","","96.2","0.03","90","","887.7","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.087","0.0496","","","0.1219","0.1423","","","","","","1.016","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203590","7.2696","0.0002","9.1353","0.0003","11.6311","0.0003","84.115","0.002","72.513","0.002","88.763","0.002","732.81","0.04","293","2","180","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0503","0.0426","","","0.123","0.1298","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203591","4.7197","0.0009","15.272","0.003","12.819","0.003","90","","97.38","0.03","90","","916.3","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0669","0.0527","","","0.1402","0.1507","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203592","15.733","0.003","15.106","0.003","7.6047","0.0015","90","","98.56","0.03","90","","1787.2","0.6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0531","0.0432","","","0.1058","0.1138","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203593","7.0478","0.0002","10.087","0.0003","10.857","0.0003","102.305","0.002","104.584","0.002","107.975","0.002","674.12","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0523","0.0421","","","0.0944","0.1015","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203594","9.802","0.002","6.0385","0.0012","15.626","0.003","90","","102.49","0.03","90","","903","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.1148","0.065","","","0.1331","0.1578","","","","","","1.099","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203595","8.2345","0.0016","16.299","0.003","6.9681","0.0014","90","","108.17","0.03","90","","888.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0404","0.0372","","","0.1032","0.1069","","","","","","1.084","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203596","10.464","0.002","4.9696","0.001","17.113","0.003","90","","95.67","0.03","90","","885.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0993","0.058","","","0.1263","0.1453","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203597","9.088","0.002","10.425","0.004","25.005","0.007","90","","90","","90","","2369","1.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5H-dibenz(b,f)azepine-5-carboxamide 10,11-dihydro-5H- dibenz(b,f)azepine-5-carboxamide (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 10,11-dihydro-5H-dibenz[b,f]azepine- 5-carboxamide (1/1)","","- C15 H13 N2 O -","- C15 H13 N2 O -","- C120 H104 N16 O8 -","8","1","","Florence, A. J.; Leech, C. K.; Shankland, N.; Shankland, K.; Johnston, A.","Control and prediction of packing motifs: a rare occurrence of carbamazepine in a catemeric configuration","CrystEngComm","2006","8","10","746","","10.1039/b610317k","","","1.54184","CuKα","","0.1045","0.0603","","","0.1488","0.1617","","","","","","0.954","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203598","15.1813","0.0006","17.6908","0.0007","35.4575","0.0014","90","","90","","90","","9522.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η^5^-cyclopentadienyl(pentafluorophenyl)(triphenylphosphane)palladium(II)","","- C29 H20 F5 P Pd -","- C29 H20 F5 P Pd -","- C464 H320 F80 P16 Pd16 -","16","2","","Althoff, Gerhard; Ruiz, José; Rodríguez, Venancio; López, Gregorio; Pérez, José; Janiak, Christoph","Can a single C‒H⋯F‒C hydrogen bond make a difference? Assessing the H⋯F bond strength from 2-D ^1^H-^19^F CP/MAS NMR","CrystEngComm","2006","8","9","662","665","10.1039/b610718b","","","0.71073","MoKα","","0.0389","0.035","","","0.0896","0.0931","","","","","","0.821","","","","has coordinates","218381","2020-10-21","18:00:00",""
"7203604","16.9297","0.0012","16.9297","0.0012","6.7285","0.0006","90","","90","","90","","1928.5","0.3","298","2","298","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C18 H19 Ag4 I4 N17 O12 -","- C18 H16 Ag4 I4 N17 O12 -","- C36 H32 Ag8 I8 N34 O24 -","2","0.125","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.032","0.0222","","","0.0466","0.0492","","","","","","1.04","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203605","18.711","0.003","18.711","0.003","22.584","0.003","90","","90","","90","","7907","2","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C4 H4 Ag F6 I N3 P -","- C4 H4 Ag F6 I N3 P -","- C64 H64 Ag16 F96 I16 N48 P16 -","16","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0995","0.0481","","","0.103","0.1133","","","","","","1.034","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203606","19.1267","0.0017","11.4655","0.0009","9.0154","0.0013","90","","90","","90","","1977.1","0.4","295","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C4 H4 Ag Cl I N3 O4 -","- C4 H4 Ag Cl I N3 O4 -","- C32 H32 Ag8 Cl8 I8 N24 O32 -","8","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0791","0.0501","","","0.0983","0.1091","","","","","","1.052","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203607","12.418","0.0013","21.168","0.002","15.019","0.0016","90","","111.75","0.002","90","","3666.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C123 H115 Ag12 Cl2 N47 O36 -","4","1","","Bianca Antonioli; Jack K. Clegg; David J. Bray; Kerstin Gloe; Karsten Gloe; Holger Heßke; Leonard F. Lindoy","An unprecedented bridging [Ag<small><sub>2</sub></small>(NO<small><sub>3</sub></small>)<small><sub>6</sub></small>]<small><sup>4−</sup></small> anion as a component of an infinite silver(<small>I</small>) molecular ladder incorporating a dinuclear cationic silver complex of a bis-dipyridylamine ligand","CrystEngComm","2006","8","10","748","","10.1039/b611270f","","","0.71073","MoKα","","0.0508","0.0335","","","0.0755","0.0819","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203608","7.5821","0.0007","7.7098","0.0007","16.7833","0.0016","92.261","0.002","93.43","0.002","110.97","0.001","912.52","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","1","0.5","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0651","0.0594","","","0.1583","0.1689","","","","","","1.103","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203609","7.1234","0.0005","18.3038","0.0014","12.4646","0.0009","90","","99.972","0.001","90","","1600.6","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Mn N4 O13 S -","- C27 H36 Mn N4 O13 S -","- C54 H72 Mn2 N8 O26 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0595","0.0502","","","0.0886","0.0933","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203610","11.7049","0.0007","7.2824","0.0004","13.4553","0.0008","90","","114.163","0.001","90","","1046.44","0.11","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Mn N2 O10 S -","- C17 H22 Mn N2 O10 S -","- C34 H44 Mn2 N4 O20 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0353","0.0351","","","0.0851","0.0853","","","","","","1.121","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203611","14.4525","0.0004","20.8624","0.0007","7.8359","0.0002","90","","109.113","0.0017","90","","2232.39","0.11","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H30 Cl2 I6 N8 -","- C40 H30 Cl2 I6 N8 -","- C80 H60 Cl4 I12 N16 -","2","0.25","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0717","0.0484","","","0.1285","0.1451","","","","","","1.073","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203612","28.715","0.0006","24.5928","0.0006","8.1377","0.0002","90","","103.647","0.0017","90","","5584.5","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N6 O8 Pt -","- C48 H32 N6 O8 Pt -","- C192 H128 N24 O32 Pt4 -","4","0.5","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0554","0.039","","","0.0803","0.0853","","","","","","0.952","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203613","9.1433","0.0004","16.1077","0.0006","17.4365","0.0007","114.815","0.002","91.345","0.002","92.087","0.002","2327.22","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C80 H50 Br8 Cd2 Cl18 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.116","0.0623","","","0.1126","0.1262","","","","","","1.017","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203614","9.0994","0.0007","15.7338","0.0013","17.0478","0.0014","112.465","0.002","92.386","0.002","90.89","0.002","2252.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Co N2 O4 -","- C40 H25 Br2 Cl11 Co N2 O4 -","- C80 H50 Br4 Cl22 Co2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0861","0.0589","","","0.1521","0.1644","","","","","","1.05","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203615","9.0953","0.0018","15.939","0.003","17.3","0.004","113.92","0.03","91.97","0.03","91.79","0.03","2288.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C80 H50 Br4 Cl22 Hg2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0629","0.0463","","","0.1261","0.1385","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203616","12.75","0.0011","16.1881","0.0014","37.508","0.003","90","","90","","90","","7741.6","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C304 H184 Br32 Cl24 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1117","0.0575","","","0.1149","0.1313","","","","","","1.032","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203617","12.608","0.0009","16.2385","0.0013","37.085","0.003","90","","90","","90","","7592.6","1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C304 H184 Br16 Cl40 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1023","0.0469","","","0.0844","0.0993","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203618","12.741","0.003","15.79","0.003","40.525","0.008","90","","90","","90","","8153","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C304 H184 Br16 Cl24 Hg8 I16 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0712","0.0375","","","0.0794","0.0854","","","","","","1.07","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203619","9.1378","0.0014","15.927","0.003","17.21","0.003","114.132","0.006","91.838","0.007","91.495","0.007","2282.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C80 H50 Br8 Cl18 N4 O8 Zn2 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1958","0.0833","","","0.1911","0.2293","","","","","","1.023","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203622","19.8677","0.0014","5.2047","0.0004","13.8276","0.001","90","","128.451","0.002","90","","1119.77","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))COO\τimes0.5 H2O","","","- C16 H36 Ag2 N4 O5 -","- C16 H36 Ag2 N4 O5 -","- C32 H72 Ag4 N8 O10 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0262","0.0254","","","0.0649","0.0656","","","","","","1.043","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203623","10.394","0.004","10.851","0.004","11.268","0.004","90","","106.477","0.006","90","","1218.7","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))COO\τimes2 H2O","","","- C8 H21 Ag N2 O4 -","- C8 H21 Ag N2 O4 -","- C32 H84 Ag4 N8 O16 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0329","0.029","","","0.0737","0.076","","","","","","1.085","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203624","16.793","0.009","8.058","0.004","11.766","0.006","90","","90","","90","","1592.2","1.4","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","(Ag(SS-chxn))BF4\τimes0.33 H2O","","","- C18 H44 Ag3 B3 F12 N6 O -","- C18 H44 Ag3 B3 F12 N6 O -","- C36 H88 Ag6 B6 F24 N12 O2 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0684","0.0516","","","0.1307","0.1409","","","","","","1.033","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203625","11.108","0.003","9.137","0.003","9.755","0.003","90","","100.108","0.005","90","","974.7","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))BF4","","","- C6 H14 Ag B F4 N2 -","- C6 H14 Ag B F4 N2 -","- C24 H56 Ag4 B4 F16 N8 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0659","0.0563","","","0.1078","0.1131","","","","","","1.093","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203626","24.132","0.006","6.8438","0.0016","11.751","0.003","90","","93.354","0.004","90","","1937.4","0.8","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))NO3","","","- C6 H14 Ag N3 O3 -","- C6 H14 Ag N3 O3 -","- C48 H112 Ag8 N24 O24 -","8","2","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0552","0.0528","","","0.1471","0.1489","","","","","","1.109","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203627","8.7988","0.0017","8.7709","0.0017","14.151","0.003","90","","100.771","0.004","90","","1072.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Dy O9 S -","- C7 H9 Dy O9 S -","- C28 H36 Dy4 O36 S4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0591","0.0488","","","0.1111","0.1142","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203628","15.868","0.004","9.2","0.003","14.955","0.004","90","","90","","90","","2183.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Eu O9 S -","- C7 H9 Eu O9 S -","- C56 H72 Eu8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0414","0.0355","","","0.1062","0.1121","","","","","","0.977","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203629","15.874","0.004","9.161","0.002","14.936","0.004","90","","90","","90","","2172","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Gd O9 S -","- C7 H9 Gd O9 S -","- C56 H72 Gd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0381","0.0294","","","0.0816","0.0872","","","","","","0.836","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203630","15.861","0.004","9.269","0.002","14.971","0.004","90","","90","","90","","2201","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Nd O9 S -","- C7 H9 Nd O9 S -","- C56 H72 Nd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0333","0.029","","","0.0933","0.0969","","","","","","1.015","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203631","15.877","0.004","9.203","0.002","14.958","0.004","90","","90","","90","","2185.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","1","0.125","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0503","0.0346","","","0.0715","0.0736","","","","","","1.085","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203632","15.882","0.004","9.212","0.002","14.969","0.004","90","","90","","90","","2190","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 O9 S Tb -","- C7 H9 O9 S Tb -","- C56 H72 O72 S8 Tb8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0372","0.0307","","","0.1018","0.1075","","","","","","0.992","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203633","8.782","0.002","8.701","0.002","14.038","0.004","90","","100.73","0.005","90","","1053.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 O9 S Yb -","- C7 H9 O9 S Yb -","- C28 H36 O36 S4 Yb4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0494","0.0394","","","0.084","0.0869","","","","","","1.042","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203634","19.1929","0.0013","7.1978","0.0005","24.4277","0.0017","90","","90","","90","","3374.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H20 Cl2 N4 O3 Zn -","- C13 H14 Cl2 N4 O3 Zn -","- C104 H112 Cl16 N32 O24 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0622","0.0477","","","0.109","0.1154","","","","","","1.08","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203635","18.3464","0.0017","6.8405","0.0006","24.146","0.002","90","","90","","90","","3030.3","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H12 Cl2 N4 O2.98 Zn -","- C11 H10 Cl2 N4 O2.98 Zn -","- C88 H80 Cl16 N32 O23.84 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0588","0.0448","","","0.0962","0.1013","","","","","","1.097","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203636","10.7579","0.0007","16.5516","0.0011","19.2846","0.0013","90","","96.307","0.001","90","","3413","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 N8 O11 Zn2 -","- C30 H34 N8 O11 Zn2 -","- C120 H136 N32 O44 Zn8 -","4","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0739","0.077","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203637","4.8526","0.0005","16.2068","0.0017","24.048","0.002","90","","100.387","0.002","90","","1860.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O7 S Zn -","- C13 H16 N4 O7 S Zn -","- C52 H64 N16 O28 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0461","0.0409","","","0.1214","0.1242","","","","","","1.161","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203638","18.371","0.003","9.8668","0.0016","15.866","0.003","90","","90","","90","","2875.9","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H10 Cl2 N4 O Zn -","- C11 H10 Cl2 N4 O Zn -","- C88 H80 Cl16 N32 O8 Zn8 -","8","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0317","0.0301","","","0.0731","0.0738","","","","","","1.076","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203639","9.2135","0.0016","12.441","0.002","19.292","0.003","90","","95.447","0.004","90","","2201.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl3 N4 O5 Zn -","- C16 H17 Cl3 N4 O5 Zn -","- C64 H68 Cl12 N16 O20 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.1127","0.0686","","","0.1389","0.1572","","","","","","1.005","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203640","7.7362","0.0014","10.8978","0.0019","21.528","0.004","90","","96.732","0.004","90","","1802.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N4 O9 S Zn -","- C12 H20 N4 O9 S Zn -","- C48 H80 N16 O36 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0872","0.0568","","","0.1049","0.1158","","","","","","1.012","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203641","10.873","0.002","11.598","0.002","13.394","0.003","77.732","0.009","77.628","0.005","70.025","0.005","1532.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cu N4 O14 -","- C25 H32 Cu N4 O14 -","- C50 H64 Cu2 N8 O28 -","2","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.0919","0.0625","","","0.1659","0.1844","","","","","","1.069","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203642","9.8564","0.0006","26.1503","0.0012","10.4712","0.0007","90","","105.948","0.005","90","","2595.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cu N4 O10 -","- C25 H30 Cu N4 O10 -","- C100 H120 Cu4 N16 O40 -","4","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.1834","0.0913","","","0.2187","0.3136","","","","","","0.923","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203643","23.59","0.005","8.8353","0.0018","19.166","0.004","90","","90","","90","","3994.7","1.4","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C40 H38 N4 O6 -","- C40 H38 N4 O6 -","- C160 H152 N16 O24 -","4","0.5","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1324","0.1142","","","0.3014","0.3131","","","","","","1.3","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203644","11.8342","0.0007","13.163","0.0007","13.4024","0.0008","96.141","0.003","113.484","0.002","113.069","0.003","1673.86","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H33 N5 O2 -","- C42 H33 N5 O2 -","- C84 H66 N10 O4 -","2","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1713","0.0846","","","0.1865","0.2223","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203645","10.242","0.0003","14.7567","0.0007","22.8507","0.001","90","","92.363","0.003","90","","3450.7","0.2","120","2","120","2","","","","","","","Simon Brooks","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 N4 O3 -","- C43 H36 N4 O3 -","- C172 H144 N16 O12 -","4","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.154","0.0626","","","0.1263","0.1554","","","","","","1.019","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203646","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0243","0.0218","","","0.0708","0.0734","","","","","","1.115","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203647","6.6652","0.001","7.7196","0.0012","12.572","0.002","84.567","0.014","76.328","0.014","74.007","0.014","603.9","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0409","0.0278","","","0.0857","0.094","","","","","","1.007","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203648","4.3029","0.0009","5.7033","0.0009","12.6098","0.0018","100.859","0.013","95.703","0.013","99.229","0.011","297.29","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0328","0.0322","","","0.0906","0.0912","","","","","","1.068","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203649","4.3493","0.0008","5.7526","0.0008","12.572","0.002","101.564","0.014","95.572","0.014","98.717","0.01","301.95","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0339","0.0298","","","0.0875","0.0911","","","","","","1.149","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203650","27.4793","0.0011","6.028","0.0003","7.319","0.0003","90","","90","","90","","1212.36","0.09","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0294","0.0249","","","0.0785","0.0807","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203651","27.459","0.003","6.0877","0.0008","7.3074","0.001","90","","90","","90","","1221.5","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0571","0.0397","","","0.1313","0.1465","","","","","","1.101","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203652","8.884","0.003","40.601","0.011","10.98","0.003","90","","96.18","0.004","90","","3937","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C144 H180 N36 O36 S12 -","12","3","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.1088","0.0903","","","0.2096","0.2245","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203653","7.385","0.0002","15.931","0.0005","25.394","0.0011","90","","90","","90","","2987.62","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C104 H152 N24 O32 S8 -","8","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.1248","0.0559","","","0.1062","0.1283","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203654","11.094","0.0002","10.685","0.0002","12.71","0.0003","90","","102.954","0.001","90","","1468.29","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0573","0.0382","","","0.0885","0.0973","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203655","8.742","0.0002","28.396","0.0005","10.877","0.0002","90","","92.953","0.001","90","","2696.5","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C96 H120 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0925","0.0529","","","0.1098","0.1255","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203656","13.581","0.004","30.358","0.011","8.693","0.003","90","","125.803","0.019","90","","2906.8","1.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C104 H136 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.0547","0.0447","","","0.1126","0.1178","","","","","","0.99","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203657","54.44","0.03","10.652","0.004","10.105","0.003","90","","90","","90","","5860","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C208 H272 N48 O48 S16 -","16","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.099","0.0628","","","0.1528","0.1685","","","","","","1.024","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203658","13.045","0.0002","13.718","0.0002","17.847","0.0003","90","","90","","90","","3193.74","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N3 O4 S -","- C12 H23 N3 O4 S -","- C96 H184 N24 O32 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0963","0.0785","","","0.2162","0.2357","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203659","6.894","0.0001","17.476","0.0004","14.21","0.0003","90","","103.18","0.001","90","","1666.92","0.06","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0705","0.0466","","","0.1206","0.1313","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203660","10.8207","0.0016","13.254","0.002","11.8837","0.0018","90","","103.423","0.002","90","","1657.8","0.4","240","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.0946","0.0888","","","0.2392","0.2469","","","","","","1.006","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203661","6.4309","0.0005","7.9829","0.0006","16.214","0.0012","90","","92.057","0.002","90","","831.85","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N3 O3 S -","- C4 H13 N3 O3 S -","- C16 H52 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0481","0.044","","","0.1194","0.123","","","","","","1.091","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203662","10.6084","0.0004","11.3449","0.0005","10.0582","0.0004","90","","90","","90","","1210.52","0.09","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0395","0.0381","","","0.0986","0.0995","","","","","","1.077","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203663","16.888","0.005","12.43","0.006","19.756","0.006","90","","96.98","0.02","90","","4116","3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br2 Cl10 N2 -","- C37 H22 Br2 Cl10 N2 -","- C148 H88 Br8 Cl40 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.071","","","","0.091","","","","","","1.93","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203664","20.081","0.006","14.094","0.004","12.065","0.003","90","","90","","90","","3414.7","1.6","294","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H23 Br5 Cl2 N2 -","- C36 H23 Br5 Cl2 N2 -","- C144 H92 Br20 Cl8 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.064","","","","0.065","","","","","","1.72","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203665","18.522","0.006","8.282","0.001","19.622","0.006","90","","100.02","0.01","90","","2964.1","1.4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Br2 Cl2 N2 -","- C35 H24 Br2 Cl2 N2 -","- C140 H96 Br8 Cl8 N8 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.046","","","","0.056","","","","","","1.65","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203666","10.383","0.003","9.893","0.001","13.212","0.003","90","","98.41","0.01","90","","1342.5","0.5","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C70 H48 Cl4 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.042","","","","0.051","","","","","","1.58","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203667","5.7952","0.001","8.3871","0.0014","8.7671","0.0014","72.308","0.003","76.989","0.003","86.488","0.004","395.54","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C18 H20 N4 -","1","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.072","0.056","","","0.161","0.172","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203668","6.0705","0.0012","5.6162","0.0011","23.339","0.005","90","","93.573","0.004","90","","794.2","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.096","0.067","","","0.165","0.178","","","","","","1.15","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203669","11.7026","0.0013","5.5972","0.0006","12.3769","0.0014","90","","94.702","0.003","90","","807.98","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.095","0.058","","","0.154","0.19","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203670","10.882","0.004","14.319","0.005","14.827","0.005","62.896","0.005","89.982","0.006","69.685","0.005","1893.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Hg2 I4 N6 O6 -","- C33 H21 Hg2 I4 N6 O6 -","- C66 H42 Hg4 I8 N12 O12 -","2","1","","Xing-Qiang Lü; Mei Pan; Jian-Rong He; Yue-Peng Cai; Bei-Sheng Kang; Cheng-Yong Su","Three-fold parallel interlocking of 2-D brick-wall networks showing ladder-like unsymmetrical Borromean links","CrystEngComm","2006","8","11","827","","10.1039/b613667m","","","0.71073","MoKα","","0.06","0.0423","","","0.102","0.1107","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203671","7.6003","0.0008","16.7695","0.0017","9.7696","0.001","90","","101.522","0.002","90","","1220.1","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 Ni O4 -","- C12 H10 N2 Ni O4 -","- C48 H40 N8 Ni4 O16 -","4","1","","Hogben, Timothy; Douthwaite, Richard E.; Gillie, Lisa J.; Whitwood, Adrian C.","Synthesis of a neutral metal?organic network solid [(MeIm)Ni(BDC)] (where MeIm = methylimidazole and BDC = 1,4-benzenedicarboxylate) in an ionic liquid solvent 1-methyl-3-propylimidazolium bromide","CrystEngComm","2006","8","12","866","","10.1039/b614104h","","","0.71073","MoKα","","0.0495","0.0376","","","0.0801","0.084","","","","","","1.071","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203672","10.8755","0.0005","19.129","0.002","19.3765","0.0018","90","","98.745","0.005","90","","3984.2","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Eu2 N12 O18 W -","- C22 H36 Eu2 N12 O17 W -","- C88 H144 Eu8 N48 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional Ln<small><sup>III</sup></small>‒W<small><sup>IV</sup></small> complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0246","0.0203","","0.045","0.0435","0.045","","","1.104","","","1.104","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203673","10.9221","0.0005","19.266","0.002","19.4537","0.0009","90","","98.385","0.005","90","","4049.8","0.5","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 N12 Nd2 O17 W -","- C25 H42 N12 Nd2 O17 W -","- C100 H168 N48 Nd8 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional Ln<small><sup>III</sup></small>‒W<small><sup>IV</sup></small> complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0345","0.0254","","0.0585","0.0555","0.0585","","","1.131","","","1.131","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7209446","8.078","","15.981","","3.5519","","90","","101.26","","90","","449.705","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Ca4 Gd O (B O3)3","","- B3 Ca4 Gd O10 -","- B3 Ca4 Gd O10 -","- B6 Ca8 Gd2 O20 -","2","0.5","","Kahn-Harari, A.; Aka, G.; Mougel, F.; Pelenc, D.","Structural and thermal stability of Czochralski grown Gd C O B oxoborate single crystals","Journal of Materials Chemistry","1998","8","","1619","1623","10.1039/a800492g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214217","4.963","0.001","4.963","0.001","16.957","0.006","90","","90","","120","","361.72","0.16","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Magnesium calcite","- C Ca0.94 Mg0.06 O3 -","- C Ca0.94 Mg0.06 O3 -","- C6 Ca5.64 Mg0.36 O18 -","6","0.166667","","Falini, G.; Fermani, S.; Gazzano, M.; Ripamonti, A.","Structure and morphology of synthetic magnesium calcite","Journal of Materials Chemistry","1998","8","","1061","1065","10.1039/a707893e","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217114","9.175","0.002","9.849","0.003","22.197","0.004","90","","94.13","0.02","90","","2000.6","0.8","123","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H31 F6 N2 P -","- C16 H31 F6 N2 P -","- C64 H124 F24 N8 P4 -","4","1","","Gordon, Charles M.; Holbrey, John D.; Kennedy, Alan R.; Seddon, Kenneth R.","Ionic liquid crystals: hexafluorophosphate salts","Journal of Materials Chemistry","1998","8","12","2627","","10.1039/a806169f","","","0.71069","MoKalpha","","0.1082","0.0394","","0.0519","0.0435","","","","","1.339","1.339","","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7222689","4.28","","4.28","","6.71","","90","","90","","120","","106.449","","","","","","","","","","","","","2","P -3 1 m","-P 3 2","162","","","","- Si Te2 -","- Si Te2 -","- Si Te2 -","1","0.0833333","","Weiss, A.; Weiss, Ar.","Zur Kenntnis von Siliciumditellurid","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1953","8","","104","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7229763","5.0492","0.0004","10.1001","0.0008","35.494","0.003","90","","90","","90","","1810.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,6aR,11aS)-methyl 7-methyl-8-oxo-4-(1-phenylethyl) 1H,4-diazabicyclo[5.4.0]undec- 5,9-dione carboxylate","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Peters, Byron K.; Razuwika, Rufaro; Samipillai, Marivel; Arvidsson, Per I.; Kruger, Hendrik G.; Govender, Thavendran; Naicker, Tricia","An unexpected re-arrangement of the antibiotic carbapenem core to new 1,4-diazepin-5-one scaffolds","RSC Advances","2018","8","1","190","","10.1039/C7RA12688C","","","0.71073","MoKα","","0.0427","0.0405","","","0.1097","0.1116","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229764","9.7907","0.0003","10.0612","0.0003","10.7006","0.0003","87.711","0.001","85.038","0.001","61.834","0.001","925.77","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C44 H40 N4 O4 S2 -","2","1","","Huang, Ying; Yi, Weiyin; Sun, Qihui; Zhang, Lirong; Yi, Fengping","A new and facile approach to 1,2-dihydroisoquinolin-3(4H)-imines by the Cu(i)-catalyzed reaction of 2-ethynylbenzyl methanesulfonates, sulfonyl azides and amines","RSC Advances","2018","8","1","74","","10.1039/C7RA12412K","","","1.54178","CuKα","","0.0308","0.0297","","","0.0824","0.0832","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229849","10.188","0.002","28.963","0.006","16.627","0.005","90","","117.64","0.02","90","","4346","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd3 N9 O17 -","- C42 H34 Cd3 N9 O17 -","- C168 H136 Cd12 N36 O68 -","4","1","","Huang, Qi; Huang, Ji-Han; Gu, Lei; Ruan, Jia-xin; Yu, Ying-Hui; Gao, Jin-Sheng","Two new luminescence cadmium coordination polymers constructed by 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl and polycarboxylic acids: syntheses, structures, Fe3+ identifying and photo-degradable properties","RSC Advances","2018","8","1","557","","10.1039/C7RA10855A","","","0.71073","MoKα","","0.037","0.0278","","","0.0516","0.053","","","","","","1.008","","","","has coordinates","204682","2020-10-21","18:00:00",""
"7229850","9.7918","0.0002","20.1958","0.0004","13.9061","0.0004","90","","112.116","0.002","90","","2547.64","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Cd4 N12 O20 -","- C52 H32 Cd4 N12 O20 -","- C104 H64 Cd8 N24 O40 -","2","0.5","","Huang, Qi; Huang, Ji-Han; Gu, Lei; Ruan, Jia-xin; Yu, Ying-Hui; Gao, Jin-Sheng","Two new luminescence cadmium coordination polymers constructed by 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl and polycarboxylic acids: syntheses, structures, Fe3+ identifying and photo-degradable properties","RSC Advances","2018","8","1","557","","10.1039/C7RA10855A","","","0.71073","MoKα","","0.0324","0.0277","","","0.0654","0.068","","","","","","1.099","","","","has coordinates","204682","2020-10-21","18:00:00",""
"7229851","8.0397","0.0005","9.627","0.0006","14.3024","0.0008","81.219","0.002","79.289","0.002","86.038","0.002","1074","0.11","120","2","120","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C28 H25 B O2 -","- C28 H25 B O2 -","- C56 H50 B2 O4 -","2","1","","Kaiser, R. P.; Ulč, J.; Císařová, I.; Nečas, D.","Direct regioselective C–H borylation of [5]helicene","RSC Advances","2018","8","1","580","","10.1039/C7RA13021J","","","0.71073","MoKα","","0.0535","0.042","","","0.0993","0.1048","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229858","12.4846","0.0003","14.5722","0.0002","15.5223","0.0002","79.157","0.001","67.587","0.002","69.131","0.002","2434.88","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H110 Cl2 Dy6 N10 O30 -","- C86 H110 Cl2 Dy6 N10 O30 -","- C86 H110 Cl2 Dy6 N10 O30 -","1","0.5","","Liu, Zi-Yuan; Zou, Hua-Hong; Wang, Rong; Chen, Man-Sheng; Liang, Fu-Pei","Structure and magnetism of two chair-shaped hexanuclear dysprosium(iii) complexes exhibiting slow magnetic relaxation","RSC Advances","2018","8","2","767","","10.1039/C7RA11378A","","","0.71073","MoKα","","0.0369","0.0306","","","0.0673","0.0729","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229859","13.4065","0.0003","21.701","0.0004","17.9936","0.0004","90","","99.84","0.002","90","","5157.95","0.19","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H124 Dy6 N2 O34 -","- C76 H124 Dy6 N2 O34 -","- C152 H248 Dy12 N4 O68 -","2","0.5","","Liu, Zi-Yuan; Zou, Hua-Hong; Wang, Rong; Chen, Man-Sheng; Liang, Fu-Pei","Structure and magnetism of two chair-shaped hexanuclear dysprosium(iii) complexes exhibiting slow magnetic relaxation","RSC Advances","2018","8","2","767","","10.1039/C7RA11378A","","","0.71073","MoKα","","0.0652","0.0522","","","0.1175","0.1257","","","","","","1.18","","","","has coordinates","204723","2020-10-21","18:00:00",""
"7229860","8.3668","0.0004","12.3575","0.0005","30.7228","0.0013","90","","90.524","0.001","90","","3176.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IrBz","'(pentamethylcyclopentadienyl)Iridium(bibenzimidazole)(chloride)chlorido'","","- C26 H27 Cl8 Ir N4 -","- C26 H27 Cl8 Ir N4 -","- C104 H108 Cl32 Ir4 N16 -","4","1","","Gunasekar, Gunniya Hariyanandam; Yoon, Yeahsel; Baek, Il-hyun; Yoon, Sungho","Catalytic reactivity of an iridium complex with a proton responsive N-donor ligand in CO2 hydrogenation to formate","RSC Advances","2018","8","3","1346","","10.1039/C7RA12343D","","","0.71073","MoKα","","0.0269","0.0234","","","0.0575","0.0594","","","","","","0.925","","","","has coordinates","204724","2020-10-21","18:00:00",""
"7229876","8.3702","0.0006","8.8979","0.0008","12.4669","0.0009","97.411","0.007","106.008","0.006","113.67","0.008","786.53","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N3 O4 S -","- C14 H17 N3 O4 S -","- C28 H34 N6 O8 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.0984","0.0641","","","0.176","0.2032","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229877","7.526","0.0006","8.0281","0.0006","13.5383","0.001","89.67","0.006","87.437","0.006","67.782","0.007","756.43","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N3 O3 S -","- C15 H17 N3 O3 S -","- C30 H34 N6 O6 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.1151","0.0889","","","0.2249","0.2422","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229878","17.5595","0.0009","17.5595","0.0009","8.6657","0.0007","90","","90","","120","","2314","0.3","295","2","295","2","","","","","","","","5","P -3","-P 3","147","","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C84 H90 N18 O18 S6 -","6","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.1141","0.0553","","","0.1094","0.1298","","","","","","1.007","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229879","13.3038","0.0005","13.487","0.0005","14.3074","0.0005","85.881","0.003","85.582","0.003","69.949","0.003","2401.56","0.16","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H45 N3 O4 P2 Ru S -","- C56 H45 N3 O4 P2 Ru S -","- C112 H90 N6 O8 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.0689","0.0425","","","0.0824","0.0916","","","","","","1.016","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229880","13.0569","0.0005","13.7232","0.0005","13.8479","0.0005","89.094","0.003","75.301","0.003","70.576","0.003","2257.08","0.16","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H45 N3 O5 P2 Ru S -","- C51 H45 N3 O5 P2 Ru S -","- C102 H90 N6 O10 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.0582","0.039","","","0.0833","0.0924","","","","","","1.034","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229881","12.2016","0.0007","13.4519","0.0007","15.1541","0.0009","82.857","0.004","79.55","0.005","65.934","0.005","2229.9","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H43 N3 O4 P2 Ru S -","- C51 H43 N3 O4 P2 Ru S -","- C102 H86 N6 O8 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.1085","0.0839","","","0.2024","0.233","","","","","","1.092","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229882","7.9518","0.0003","9.5337","0.0005","10.5702","0.0003","89.02","0.003","76.831","0.003","65.86","0.004","709.41","0.06","99.9","0.2","99.9","0.2","","","","","","","","5","P 1","P 1","1","","","","- C34 H33 B N2 O8 -","- C34 H33 B N2 O8 -","- C34 H33 B N2 O8 -","1","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0256","0.0252","","","0.0661","0.0664","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229883","9.49961","0.00015","13.42524","0.00018","12.0837","0.0002","90","","110.171","0.0019","90","","1446.57","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 B N O6 -","- C30 H44 B N O6 -","- C60 H88 B2 N2 O12 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0305","0.0277","","","0.0631","0.0643","","","","","","1.008","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229884","12.1841","0.0004","10.7394","0.0003","16.5166","0.0007","90","","98.35","0.003","90","","2138.29","0.13","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H42 B2 Cl4 N2 O13 -","- C43 H42 B2 Cl4 N2 O13 -","- C86 H84 B4 Cl8 N4 O26 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54178","CuKα","","0.0564","0.052","","","0.1421","0.1445","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229885","11.5542","0.0004","18.7836","0.0005","11.981","0.0004","90","","95.04","0.003","90","","2590.18","0.14","100.01","0.1","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","2","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0342","0.0305","","","0.0811","0.0826","","","","","","1.012","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229886","12.2938","0.0001","19.4089","0.0002","16.2958","0.0002","90","","90.477","0.001","90","","3888.19","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H88 B4 N4 O24 -","- C86 H88 B4 N4 O24 -","- C172 H176 B8 N8 O48 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0501","0.049","","","0.1269","0.1278","","","","","","1.018","","","","has coordinates,has disorder","301865","2025-08-22","16:17:19",""
"7229887","11.70439","0.00017","11.9649","0.00018","18.9233","0.0002","90","","90","","90","","2650.05","0.06","281","12","281","12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.031","0.0285","","","0.0751","0.077","","","","","","1.014","","","","has coordinates,has disorder","301865","2025-08-22","16:17:19",""
"7229923","9.856","0.002","9.951","0.002","10.625","0.002","62.77","0.03","64.9","0.03","84.22","0.03","833.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Br2 Cu6 I6 N4 -","- C16 H32 Br2 Cu6 I6 N4 -","- C16 H32 Br2 Cu6 I6 N4 -","1","0.5","","Xin, Bingjing; Sang, Jianwei; Gao, Yi; Li, Guanghua; Shi, Zhan; Feng, Shouhua","A pillared-layered copper(i) halide-based metal‒organic framework exhibiting dual emission, and piezochromic and thermochromic properties with a large temperature-dependent emission red-shift","RSC Advances","2018","8","4","1973","","10.1039/C7RA11950J","","","0.71073","MoKα","","0.0696","0.0545","","","0.1433","0.1528","","","","","","1.086","","","","has coordinates","204973","2020-10-21","18:00:00",""
"7229924","9.715","0.0019","9.887","0.002","10.541","0.002","62.33","0.03","66.13","0.03","84.03","0.03","815.6","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Br2 Cu6 I6 N4 -","- C16 H32 Br2 Cu6 I6 N4 -","- C16 H32 Br2 Cu6 I6 N4 -","1","0.5","","Xin, Bingjing; Sang, Jianwei; Gao, Yi; Li, Guanghua; Shi, Zhan; Feng, Shouhua","A pillared-layered copper(i) halide-based metal‒organic framework exhibiting dual emission, and piezochromic and thermochromic properties with a large temperature-dependent emission red-shift","RSC Advances","2018","8","4","1973","","10.1039/C7RA11950J","","","0.71073","MoKα","","0.0529","0.0463","","","0.1175","0.1206","","","","","","1.102","","","","has coordinates","204973","2020-10-21","18:00:00",""
"7229925","7.891","0.004","7.425","0.003","8.722","0.004","90","","108.523","0.005","90","","484.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H6 N12 O2 -","- C4 H6 N12 O2 -","- C8 H12 N24 O4 -","2","1","","Tao, Jingjing; Jin, Bo; Chu, Shijin; Peng, Rufang; Shang, Yu; Tan, Bisheng","Novel insensitive energetic-cocrystal-based BTO with good comprehensive properties","RSC Advances","2018","8","4","1784","","10.1039/C7RA11428A","","","0.71073","MoKα","","0.0532","0.0517","","","0.1453","0.1472","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229926","11.7756","0.0004","9.1501","0.0003","11.4455","0.0004","90","","103.01","0.003","90","","1201.57","0.07","105.2","","105.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cl N5 O3 -","- C9 H12 Cl N5 O3 -","- C36 H48 Cl4 N20 O12 -","4","1","","Yang, Dongyan; Wan, Chuan; Xiao, Yumei; Che, Chuanliang; Rui, Changhui; Qin, Zhaohai","Design, synthesis, and insecticidal activity of novel 1-alkoxy-2-nitroguanidines","RSC Advances","2018","8","4","1838","","10.1039/C7RA11454K","","","0.7107","MoKα","","0.0497","0.0411","","","0.0984","0.1039","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229932","8.8432","0.0019","17.4","0.004","16.43","0.004","90","","91.832","0.004","90","","2526.8","1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H2 Cl3 N5 O4 -","- C8 H2 Cl3 N5 O4 -","- C64 H16 Cl24 N40 O32 -","8","2","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.0582","0.0413","","","0.104","0.1139","","","","","","1.02","","","","has coordinates","205019","2020-10-21","18:00:00",""
"7229933","16.424","0.003","10.27","0.002","17.559","0.003","90","","92.886","0.004","90","","2958","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Cl2 N8 O4 -","- C10 H4 Cl2 N8 O4 -","- C80 H32 Cl16 N64 O32 -","8","2","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.0965","0.0788","","","0.2088","0.2193","","","","","","1.118","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229934","11.5557","0.0018","11.6416","0.0019","11.1129","0.0017","90","","116.222","0.003","90","","1341.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 N14 O4 -","- C8 H2 N14 O4 -","- C32 H8 N56 O16 -","4","1","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.062","0.0468","","","0.1089","0.1174","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229935","8.941","0.003","7.445","0.003","20.759","0.007","90","","106.328","0.015","90","","1326.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N10 O4 -","- C10 H8 N10 O4 -","- C40 H32 N40 O16 -","4","1","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.1012","0.0522","","","0.1137","0.1328","","","","","","0.974","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229936","7.4815","0.0011","9.2466","0.0013","16.151","0.003","87.286","0.004","87.725","0.003","89.891","0.003","1115.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N8 O4 -","- C8 H8 N8 O4 -","- C32 H32 N32 O16 -","4","2","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.0647","0.0486","","","0.1219","0.1331","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229937","15.0769","0.0002","8.801","0.0001","15.4166","0.0002","90","","115.203","0.001","90","","1850.92","0.04","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,5-dimethyl-2-(thiophen-3-yl)-6-(4-(trifluoromethyl)phenyl)-1,5-dihydrodipyrrolo[3,2-b:3',2'-e]pyrazine","","- C21 H15 F3 N4 S -","- C21 H15 F3 N4 S -","- C84 H60 F12 N16 S4 -","4","1","","Meti, Puttavva; Gong, Young-Dae","Unveiling the photophysical and morphological properties of an acidochromic thiophene flanked dipyrrolopyrazine-based chromophore for optoelectronic application","RSC Advances","2018","8","4","2004","","10.1039/C7RA12527E","","","0.71073","MoKα","","0.1359","0.112","","","0.3494","0.3831","","","","","","1.554","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229938","17.837","0.004","17.886","0.005","23.754","0.006","90","","90","","90","","7578","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cu6 Mo5 N18 O23 -","- C12 H20 Cu6 Mo5 N18 O23 -","- C96 H160 Cu48 Mo40 N144 O184 -","8","1","","Xu, Li; Lu, Ying; Huang, Liping; Li, Xiaohui; Wang, Shuang; Zhang, Zhong; Liu, Shuxia","Synthesis and properties of a POM-based trinuclear copper(ii) triazole framework","RSC Advances","2018","8","4","2034","","10.1039/C7RA12150D","","","0.71073","MoKα","","0.1258","0.0815","","","0.1413","0.1602","","","","","","1.057","","","","has coordinates","205021","2020-10-21","18:00:00",""
"7229988","8.5849","0.0016","10.5243","0.0019","12.043","0.003","111.668","0.004","108.999","0.004","96.088","0.003","923.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Cl2 Cu N6 O8 -","- C32 H42 Cl2 Cu N6 O8 -","- C32 H42 Cl2 Cu N6 O8 -","1","0.5","","Li, Jie; Liu, Huiyu; Guo, Zhaoqi; Yang, Mingyan; Song, Jirong; Ma, Haixia","Two Cu(ii)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations","RSC Advances","2018","8","6","2933","","10.1039/C7RA10572J","","","0.71073","MoKα","","0.0436","0.0387","","","0.1177","0.122","","","","","","1.14","","","","has coordinates","301865","2025-08-22","16:17:20",""
"7229989","7.8341","0.0016","15.51","0.003","16.076","0.003","68.996","0.004","88.38","0.004","88.253","0.004","1822.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 Cl4 Cu N14 O18 -","- C58 H84 Cl4 Cu N14 O18 -","- C58 H84 Cl4 Cu N14 O18 -","1","0.5","","Li, Jie; Liu, Huiyu; Guo, Zhaoqi; Yang, Mingyan; Song, Jirong; Ma, Haixia","Two Cu(ii)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations","RSC Advances","2018","8","6","2933","","10.1039/C7RA10572J","","","0.71073","MoKα","","0.0766","0.0512","","","0.1276","0.1422","","","","","","0.999","","","","has coordinates","301865","2025-08-22","16:17:20",""
"7229990","12.261","0.003","12.784","0.004","13.598","0.004","74.133","0.008","70.006","0.008","64.47","0.007","1787.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","none","","","- C22 H32 Cl2 N16 Ni O7 -","- C22 H32 Cl2 N16 Ni O7 -","- C44 H64 Cl4 N32 Ni2 O14 -","2","1","","Yepremyan, Akop; Mehmood, Arshad; Brewer, Samantha; Barnett, Madalyn M.; Janesko, Benjamin G.; Akkaraju, Giridhar; Simanek, Eric E.; Green, Kayla N.","A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.","RSC advances","2018","8","6","3024","3035","10.1039/c7ra09459k","","x-ray","0.71073","MoKα","","0.1972","0.1218","","","0.3076","0.3581","","","","","","1.099","","","","has coordinates,has disorder","230973","2020-10-21","18:00:00",""
"7229991","11.3979","0.0006","12.0551","0.0007","13.6836","0.0007","97.586","0.002","103.997","0.002","106.156","0.002","1711.75","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","none","","","- C22 H39 Cl3 Cu2 N16 O9 -","- C22 H39 Cl3 Cu2 N16 O9 -","- C44 H78 Cl6 Cu4 N32 O18 -","2","1","","Yepremyan, Akop; Mehmood, Arshad; Brewer, Samantha; Barnett, Madalyn M.; Janesko, Benjamin G.; Akkaraju, Giridhar; Simanek, Eric E.; Green, Kayla N.","A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.","RSC advances","2018","8","6","3024","3035","10.1039/c7ra09459k","","x-ray","0.71073","MoKα","","0.0565","0.0386","","","0.0815","0.0886","","","","","","1.046","","","","has coordinates,has disorder","230973","2020-10-21","18:00:00",""
"7229992","12.4036","0.0008","19.8086","0.0013","14.3748","0.0009","90","","91.559","0.002","90","","3530.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","none","","","- C22 H33 Cl N16 O13 Zn -","- C22 H33 Cl N16 O13 Zn -","- C88 H132 Cl4 N64 O52 Zn4 -","4","1","","Yepremyan, Akop; Mehmood, Arshad; Brewer, Samantha; Barnett, Madalyn M.; Janesko, Benjamin G.; Akkaraju, Giridhar; Simanek, Eric E.; Green, Kayla N.","A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.","RSC advances","2018","8","6","3024","3035","10.1039/c7ra09459k","","","0.71073","MoKα","","0.1249","0.0864","","","0.1627","0.176","","","","","","1.193","","","","has coordinates,has disorder","230973","2020-10-21","18:00:00",""
"7230000","15.609","0.004","5.0175","0.0012","14.758","0.004","90","","109.902","0.005","90","","1086.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F3 N2 O3 -","- C10 H7 F3 N2 O3 -","- C40 H28 F12 N8 O12 -","4","1","","Tang, Cheng-Ke; Feng, Kai-Xiang; Xia, Ai-Bao; Li, Chen; Zheng, Ya-Yun; Xu, Zhen-Yuan; Xu, Dan-Qian","Asymmetric synthesis of polysubstituted chiral chromans via an organocatalytic oxa-Michael-nitro-Michael domino reaction","RSC Advances","2018","8","6","3095","","10.1039/C7RA13525D","","","0.71073","MoKα","","0.0807","0.0643","","","0.159","0.1769","","","","","","1.082","","","","has coordinates,has disorder","301866","2025-08-22","21:38:13",""
"7230004","9.746","0.002","19.123","0.004","19.154","0.004","90","","90","","90","","3569.8","1.3","153","2","153","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C25 H18 Fe N2 -","- C25 H17 Fe N2 -","- C200 H136 Fe8 N16 -","8","1","","Wu, Pei; Wang, Guo; Zhou, Lu; Lu, Jing; Wang, Jianchun","The first colorimetric receptor for the B4O72− anion based on nitro substituted phenanthroimidazole ferrocene derivatives","RSC Advances","2018","8","7","3782","","10.1039/C7RA12700F","","","0.71073","MoKα","","0.0724","0.0541","","","0.1115","0.1207","","","","","","1.003","","","","has coordinates","205428","2020-10-21","18:00:00",""
"7230007","22.015","0.001","12.2707","0.0006","21.9979","0.0015","90","","115.613","0.001","90","","5358.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H47 Cd2 N9 O10 -","- C62 H47 Cd2 N9 O10 -","- C248 H188 Cd8 N36 O40 -","4","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0329","0.0266","","","0.0712","0.0746","","","","","","1.07","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230008","11.6567","0.0005","27.1818","0.0011","11.3231","0.0005","90","","99.419","0.001","90","","3539.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H68 Cd2 N12 O14 -","- C74 H68 Cd2 N12 O14 -","- C148 H136 Cd4 N24 O28 -","2","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0488","0.0367","","","0.0841","0.0889","","","","","","1.084","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230009","30.643","0.003","10.5532","0.001","31.782","0.004","90","","116.594","0.002","90","","9190.3","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H98 N12 O20 Zn3 -","- C70 H42 N4 O12 Zn3 -","- C280 H168 N16 O48 Zn12 -","4","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0704","0.0446","","","0.1055","0.1114","","","","","","0.925","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230010","9.9983","0.0005","10.228","0.0005","14.6829","0.0008","92.254","0.001","97.61","0.001","92.017","0.001","1485.9","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H42 Cd2 F12 N8 O9 -","- C66 H40 Cd2 F12 N8 O9 -","- C66 H40 Cd2 F12 N8 O9 -","1","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0484","0.0352","","","0.0744","0.0814","","","","","","1.025","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230011","10.6823","0.0007","15.8149","0.0009","15.9776","0.001","63.889","0.001","79.164","0.001","72.15","0.001","2302.6","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H86 Cd3 N14 O22 P2 -","- C96 H74 Cd3 N14 O22 P2 -","- C96 H74 Cd3 N14 O22 P2 -","1","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0578","0.0472","","","0.123","0.1295","","","","","","1.061","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230012","11.376","0.002","17.593","0.003","11.651","0.002","90","","114.192","0.004","90","","2127","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cd2 N8 O10 S2 -","- C44 H28 Cd2 N8 O10 S2 -","- C88 H56 Cd4 N16 O20 S4 -","2","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0724","0.039","","","0.0698","0.082","","","","","","1.02","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230016","12.446","0.003","15.594","0.003","25.49","0.005","90","","90","","90","","4947.2","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl O6 -","- C19 H27 Cl O6 -","- C152 H216 Cl8 O48 -","8","2","","Wang, Chao-Yi; Hao, Jun-Di; Ning, Xing-Yan; Wu, Jing-Shuai; Zhao, Dong-Lin; Kong, Chui-Jian; Shao, Chang-Lun; Wang, Chang-Yun","Penicilazaphilones D and E: two new azaphilones from a sponge-derived strain of the fungus Penicillium sclerotiorum","RSC Advances","2018","8","8","4348","","10.1039/C7RA13327H","","","0.71073","MoKα","","0.1298","0.0566","","","0.1465","0.1661","","","","","","0.861","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230017","7.7241","0.0004","16.3543","0.0007","22.3393","0.0009","90","","90","","90","","2822","0.2","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl O5.5 -","- C14 H16 Cl O5.5 -","- C112 H128 Cl8 O44 -","8","2","","Wang, Chao-Yi; Hao, Jun-Di; Ning, Xing-Yan; Wu, Jing-Shuai; Zhao, Dong-Lin; Kong, Chui-Jian; Shao, Chang-Lun; Wang, Chang-Yun","Penicilazaphilones D and E: two new azaphilones from a sponge-derived strain of the fungus Penicillium sclerotiorum","RSC Advances","2018","8","8","4348","","10.1039/C7RA13327H","","","0.71073","MoKα","","0.089","0.0495","","","0.1039","0.1209","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230018","9.0471","0.0006","12.5948","0.0009","18.3765","0.0012","102.293","0.002","90.06","0.002","102.35","0.002","1996.2","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N2 O12 Ru2 -","- C42 H32 N2 O12 Ru2 -","- C84 H64 N4 O24 Ru4 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0461","0.0341","","","0.0743","0.0823","","","","","","1.085","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230019","6.5834","0.0004","12.571","0.0008","20.2038","0.0013","97.333","0.002","94.773","0.002","102.775","0.002","1606.57","0.18","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H30 O3 -","- C45 H30 O3 -","- C90 H60 O6 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0641","0.0522","","","0.1347","0.1424","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230020","18.0137","0.0009","9.0328","0.0005","15.9733","0.0008","90","","90.808","0.002","90","","2598.8","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 Cl O11 Ru3 -","- C25 H9 Cl O11 Ru3 -","- C100 H36 Cl4 O44 Ru12 -","4","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0217","0.0174","","","0.0373","0.0389","","","","","","1.05","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230021","12.3207","0.0004","12.5368","0.0004","24.013","0.0008","85.154","0.001","84.179","0.001","80.72","0.001","3632.9","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 Cl2 O3 -","- C46 H32 Cl2 O3 -","- C184 H128 Cl8 O12 -","4","2","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0607","0.0514","","","0.124","0.1301","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230022","36.9032","0.0008","36.9032","0.0008","8.9609","0.0004","90","","90","","90","","12203.4","0.7","153","2","153","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C27 H12 O13 Ru3 -","- C27 H12 O13 Ru3 -","- C432 H192 O208 Ru48 -","16","","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0198","0.0187","","","0.0456","0.0462","","","","","","1.113","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230023","8.7751","0.0004","31.4886","0.0014","12.3317","0.0004","90","","131.32","0.002","90","","2559.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 O11 Ru3 -","- C25 H10 O11 Ru3 -","- C100 H40 O44 Ru12 -","4","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0377","0.0309","","","0.0519","0.0532","","","","","","1.266","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230024","9.5241","0.0003","11.9434","0.0004","14.5637","0.0005","81.291","0.001","76.006","0.001","82.181","0.001","1580.36","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H20 O8 Ru2 -","- C36 H20 O8 Ru2 -","- C72 H40 O16 Ru4 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0259","0.0209","","","0.0484","0.0511","","","","","","1.039","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230025","11.5941","0.0005","17.5267","0.0008","19.7395","0.0009","113.011","0.001","91.468","0.001","108.137","0.001","3458.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73.5 H47 Cl3 N4 O16 Ru4 -","- C73.5 H47 Cl3 N4 O16 Ru4 -","- C147 H94 Cl6 N8 O32 Ru8 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0369","0.0341","","","0.0845","0.0867","","","","","","1.026","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230026","11.8853","0.0006","29.8669","0.0014","12.3141","0.0006","90","","115.109","0.002","90","","3958.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H29 Cl2 N3 O9 -","- C46 H29 Cl2 N3 O9 -","- C184 H116 Cl8 N12 O36 -","4","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.1098","0.0925","","","0.2251","0.2378","","","","","","1.082","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230027","12.9086","0.0009","18.4204","0.0013","15.3269","0.0012","90","","99.825","0.003","90","","3591","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 Cl2 O8 Ru2 -","- C39 H25 Cl2 O8 Ru2 -","- C156 H100 Cl8 O32 Ru8 -","4","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0571","0.0495","","","0.1451","0.1509","","","","","","1.104","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230028","13.2308","0.0005","16.6116","0.0006","17.2975","0.0006","66.867","0.001","81.114","0.001","68.604","0.001","3254.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N2 O8 Ru2 -","- C36 H22 N2 O8 Ru2 -","- C144 H88 N8 O32 Ru8 -","4","2","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0282","0.0234","","","0.0667","0.0831","","","","","","1.38","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7230029","10.8943","0.0004","11.5559","0.0004","17.671","0.0007","102.054","0.001","94.251","0.001","115.128","0.001","1936.13","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H26 Cl2 O12 Ru2 -","- C41 H26 Cl2 O12 Ru2 -","- C82 H52 Cl4 O24 Ru4 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0276","0.0251","","","0.0604","0.0623","","","","","","1.052","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230043","12.6326","0.0013","14.5578","0.0013","7.3585","0.0007","90","","106.635","0.003","90","","1296.6","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl 2-(5-(4-nitrophenyl)isoxazol-4-yl)-2-ox","ethyl 2-(5-(4-nitrophenyl)isoxazol-4-yl)-2-oxoacetate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C52 H40 N8 O24 -","4","1","","Silva, Raí G. M.; da Silva, Michael J. V.; Jacomini, Andrey P.; Moura, Sidnei; Back, Davi F.; Basso, Ernani A.; Rosa, Fernanda A.","Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones","RSC Advances","2018","8","9","4773","","10.1039/C7RA13343J","","","0.71073","MoKα","","0.0777","0.0563","","","0.1607","0.1774","","","","","","0.974","","","","has coordinates","205690","2020-10-21","18:00:00",""
"7230044","5.8104","0.0005","8.2881","0.0008","13.119","0.0012","89.312","0.003","82.695","0.003","85.322","0.003","624.56","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","ethyl 4-formyl-5-(4-nitrophenyl)isozaxole-3-carboxylate","ethyl 4-formyl-5-(4-nitrophenyl)isozaxole-3-carboxylate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","","Silva, Raí G. M.; da Silva, Michael J. V.; Jacomini, Andrey P.; Moura, Sidnei; Back, Davi F.; Basso, Ernani A.; Rosa, Fernanda A.","Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones","RSC Advances","2018","8","9","4773","","10.1039/C7RA13343J","","","0.71073","MoKα","","0.1191","0.056","","","0.1229","0.1556","","","","","","1.045","","","","has coordinates","205690","2020-10-21","18:00:00",""
"7230045","6.6907","0.0015","8.7715","0.0016","12.002","0.004","97.212","0.018","93.54","0.02","107.759","0.018","661.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","ethyl 4-(4-nitrobenzoyl)isoxazol-5-carboxylate","ethyl 4-(4-nitrobenzoyl)isoxazol-5-carboxylate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","","Silva, Raí G. M.; da Silva, Michael J. V.; Jacomini, Andrey P.; Moura, Sidnei; Back, Davi F.; Basso, Ernani A.; Rosa, Fernanda A.","Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones","RSC Advances","2018","8","9","4773","","10.1039/C7RA13343J","","","1.54178","CuKα","","0.0852","0.06","","","0.1637","0.1853","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230046","7.3487","0.0002","17.1804","0.0004","10.4508","0.0003","90","","98.167","0.001","90","","1306.07","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl4-(4-nitrobenzoyl)isoxazole-3-carboxylate","ethyl4-(4-nitrobenzoyl)isoxazole-3-carboxylate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C52 H40 N8 O24 -","4","1","","Silva, Raí G. M.; da Silva, Michael J. V.; Jacomini, Andrey P.; Moura, Sidnei; Back, Davi F.; Basso, Ernani A.; Rosa, Fernanda A.","Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones","RSC Advances","2018","8","9","4773","","10.1039/C7RA13343J","","","1.54178","CuKα","","0.0457","0.0403","","","0.1041","0.1095","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230047","10.426","0.002","12.933","0.003","16.851","0.004","90","","100.581","0.003","90","","2233.5","0.9","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Zhao, Hai-Yuan; Wu, Fu-Song; Yang, Li; Liang, Ying; Cao, Xiao-Lin; Wang, Heng-Shan; Pan, Ying-Ming","Catalyst- and solvent-free approach to 2-arylated quinolines via [5 + 1] annulation of 2-methylquinolines with diynones","RSC Advances","2018","8","9","4584","","10.1039/C7RA12716B","","","0.71073","MoKα","","0.0473","0.0367","","","0.0983","0.1073","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230058","7.9842","0.0009","6.081","0.002","20.127","0.002","90","","100.17","0.011","90","","961.9","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0813","0.0621","","","0.1625","0.1849","","","","","","0.99","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230059","15.5556","0.0011","7.0185","0.0005","7.331","0.0005","90","","94.221","0.006","90","","798.21","0.1","294","2","294","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0737","0.0712","","","0.2176","0.2227","","","","","","1.139","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230060","19.4865","0.0005","6.1772","0.0001","15.7523","0.0004","90","","109.925","0.003","90","","1782.63","0.08","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O2 S -","- C21 H18 F N O2 S -","- C84 H72 F4 N4 O8 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0542","0.0492","","","0.1395","0.1473","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230061","7.9693","0.0002","6.1218","0.0002","19.328","0.0005","90","","101.204","0.002","90","","924.97","0.05","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C44 H42 N2 O4 S2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54178","CuKα","","0.0345","0.0307","","","0.0818","0.0845","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230062","8.4634","0.0002","9.3587","0.0002","25.6617","0.0007","90","","90","","90","","2032.57","0.09","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0349","0.0325","","","0.0859","0.0885","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230063","20.5689","0.0008","10.9975","0.0006","7.9534","0.0003","90","","91.984","0.004","90","","1798.03","0.14","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O2 S -","- C21 H18 F N O2 S -","- C84 H72 F4 N4 O8 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54178","CuKα","","0.0603","0.0414","","","0.107","0.1312","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230064","7.5142","0.0002","12.7251","0.0004","18.022","0.0005","88.481","0.002","84.657","0.002","89.958","0.002","1715.15","0.09","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl N O2 S -","- C20 H16 Cl N O2 S -","- C80 H64 Cl4 N4 O8 S4 -","4","2","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0506","0.0465","","","0.1196","0.1257","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230065","7.08143","0.00009","9.08409","0.00011","29.0369","0.0003","90","","90","","90","","1867.9","0.04","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl N O2 S -","- C21 H18 Cl N O2 S -","- C84 H72 Cl4 N4 O8 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0345","0.0337","","","0.0923","0.0935","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230075","9.5772","0.001","10.5178","0.0011","11.9976","0.0011","89.889","0.003","67.004","0.002","70.688","0.003","1038.57","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C52 H52 N4 O4 -","2","1","","Chen, Long; Liu, Kai; Sun, Jiangtao","Catalyst-free synthesis of tetrahydropyrimidines via formal [3+3]-cycloaddition of imines with 1,3,5-hexahydro-1,3,5-triazines","RSC Advances","2018","8","10","5532","","10.1039/C7RA11973A","","","0.71073","MoKα","","0.0433","0.0387","","","0.1064","0.1099","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230077","9.8684","0.0009","25.4867","0.0018","10.5567","0.0009","90","","110.979","0.01","90","","2479.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N4 O4 -","- C28 H30 N4 O4 -","- C112 H120 N16 O16 -","4","2","","Wang, Yong-Chao; Wang, Jun-Liang; Burgess, Kevin S.; Zhang, Jiang-Wei; Zheng, Qiu-Mei; Pu, Ya-Dan; Yan, Li-Jun; Chen, Xue-Bing","Green synthesis of new pyrrolidine-fused spirooxindoles via three-component domino reaction in EtOH/H2O","RSC Advances","2018","8","11","5702","","10.1039/C7RA13207G","","","0.71073","MoKα","","0.0502","0.0391","","","0.0863","0.0936","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230078","18.204","0.019","15.339","0.015","23.87","0.02","90","","90","","90","","6665","11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N6 O2.5 -","- C14 H19 N6 O2.5 -","- C224 H304 N96 O40 -","16","2","","Wu, Wei-Na; Wu, Hao; Wang, Yuan; Mao, Xian-Jie; Liu, Bao-Zhong; Zhao, Xiao-Lei; Xu, Zhou-Qing; Fan, Yun-Chang; Xu, Zhi-Hong","A simple hydrazone as a multianalyte (Cu2+, Al3+, Zn2+) sensor at different pH values and the resultant Al3+ complex as a sensor for F−","RSC Advances","2018","8","10","5640","","10.1039/C7RA10219D","","","0.71073","MoKα","","0.1602","0.0711","","","0.1843","0.2701","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230091","10.3022","0.0006","10.3149","0.0007","13.799","0.0008","110.494","0.006","96.161","0.005","98.769","0.005","1336.9","0.16","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","TPECNThi","","","- C36 H24 N2 S -","- C36 H24 N2 S -","- C72 H48 N4 S2 -","2","1","","Ma, Chunping; He, Jiajun; Xu, Bingjia; Xie, Gaoyi; Xie, Zongliang; Mao, Zhu; Chi, Zhenguo","A TPE–benzothiazole piezochromic and acidichromic molecular switch with high solid state luminescent efficiency","RSC Advances","2018","8","12","6252","","10.1039/C7RA12655G","","","1.5418","CuKα","","0.0392","0.032","","","0.0798","0.0845","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230092","17.0744","0.0003","20.5494","0.0004","11.4918","0.0002","90","","90","","90","","4032.11","0.13","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","SuperNova","","- C35 H41 Mn3 N5 O14 -","- C35 H41 Mn3 N5 O14 -","- C140 H164 Mn12 N20 O56 -","4","0.5","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N–N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.71073","MoKα","","0.0625","0.0418","","","0.0947","0.1032","","","","","","1.129","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230093","17.9052","0.0002","25.3476","0.0002","8.9987","0.0001","90","","90","","90","","4084.09","0.07","150.15","","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","SuperNova","","- C43 H33 N9 Ni3 O8 -","- C43 H33 N9 Ni3 O8 -","- C172 H132 N36 Ni12 O32 -","4","0.5","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.71073","MoKα","","0.0279","0.0265","","","0.0694","0.0703","","","","","","1.046","","","","has coordinates","206293","2020-10-21","18:00:00",""
"7230094","11.969","0.0006","14.4468","0.0006","17.6248","0.0009","89.892","0.004","73.514","0.004","82.879","0.004","2898","0.2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","SuperNova","","- C62 H42 Cu6 N14 O12 -","- C62 H42 Cu6 N14 O12 -","- C124 H84 Cu12 N28 O24 -","2","1","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N–N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.7107","MoKα","","0.0411","0.0314","","","0.0768","0.0809","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230095","14.6309","0.0005","35.9987","0.001","14.3693","0.0004","90","","90.793","0.002","90","","7567.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","SuperNova","","- C69 H57 Cu6 N15 O17 -","- C69 H57 Cu6 N15 O17 -","- C276 H228 Cu24 N60 O68 -","4","1","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N–N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.71073","MoKα","","0.0976","0.0616","","","0.1469","0.1597","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230096","8.2809","0.0002","8.4804","0.0003","12.4655","0.0003","74.802","0.002","89.117","0.002","84.624","0.002","841.02","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","(E)-N-(benzo[d]thiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C36 H32 N4 O6 S2 -","2","1","","Nong, Wenqian; Zhao, Anran; Wei, Jinrui; Cheng, Hui; Luo, Xuan; Lin, Cuiwu","Synthesis of a series of benzothiazole amide derivatives and their biological evaluation as potent hemostatic agents","RSC Advances","2018","8","12","6231","","10.1039/C7RA13397A","","x-ray","1.54184","CuKα","","0.046","0.0449","","","0.1203","0.121","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230097","10.9706","0.0001","7.5236","0.0001","33.4233","0.0005","90","","98.909","0.001","90","","2725.42","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(benzo[d]thiazol-2-yl)-3-phenylpropanamide","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","2","","Nong, Wenqian; Zhao, Anran; Wei, Jinrui; Cheng, Hui; Luo, Xuan; Lin, Cuiwu","Synthesis of a series of benzothiazole amide derivatives and their biological evaluation as potent hemostatic agents","RSC Advances","2018","8","12","6231","","10.1039/C7RA13397A","","x-ray","1.54184","CuKα","","0.0416","0.0356","","","0.0928","0.0951","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230111","5.7048","0.0001","23.8602","0.0005","9.3419","0.0002","90","","90.604","0.001","90","","1271.53","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(3R,16R)-12-O-β- D-glucopyranosyl-3,11,16-trihydroxy-17(15→16),18(4→3)-diabeo-abieta-4(19),8(9),11(12),13(14)-tetraene-7-one","szemaoenoid A","","- C26 H38 O11 -","- C26 H38 O11 -","- C52 H76 O22 -","2","1","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.03","0.03","","","0.0884","0.0885","","","","","","1.113","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230112","11.5843","0.0007","9.5501","0.0006","15.2093","0.001","90","","92.859","0.004","90","","1680.53","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(3S,16S)-12,16-epoxy-3,11,14-trihydroxy-17(15→16)-abeo-abieta-8(9),11(12),13(14)-triene-7-one","szemaoenoid J","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.0701","0.0627","","","0.1682","0.1743","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230113","17.5477","0.0006","21.7199","0.0007","33.3592","0.0012","90","","90","","90","","12714.3","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(16R)-12-O-β-D-glucopyranosyl-11,14,16, 19-tetrahydroxy-17(15\ρightarrow16),18(4\ρightarrow3)-diabeo-abieta-3(4),8(9),11(12),13(14)-tetraene-7-one","szemaoenoid c","","- C26 H36 O11 -","- C26 H36 O11.25 -","- C416 H576 O180 -","16","4","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.0759","0.0744","","","0.2065","0.2083","","","","","","1.044","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7230149","18.572","0.003","14.833","0.003","18.032","0.003","90","","108.118","0.003","90","","4721.1","1.5","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cl6 N2 O2 S2 Ti2 -","- C38 H46 Cl6 N2 O2 S2 Ti2 -","- C152 H184 Cl24 N8 O8 S8 Ti8 -","4","1","","Luo, Derong; Zeng, Yi; Chen, Xiong; Xia, Ping; Xie, Guangyong; You, Qingliang; Zhang, Li; Li, Tingcheng; Li, Xiangdan; Zhang, Aiqing","Synthesis, characterization and olefin polymerization behaviors of phenylene-bridged bis-β-carbonylenamine binuclear titanium complexes","RSC Advances","2018","8","13","6954","","10.1039/C8RA00071A","","","0.71073","MoKα","","0.1093","0.0705","","","0.1858","0.2099","","","","","","1.002","","","","has coordinates","206428","2020-10-21","18:00:00",""
"7230150","14.149","0.005","10.258","0.003","24.194","0.008","90","","96.71","0.006","90","","3487","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C152 H192 N8 O8 S8 -","4","1","","Luo, Derong; Zeng, Yi; Chen, Xiong; Xia, Ping; Xie, Guangyong; You, Qingliang; Zhang, Li; Li, Tingcheng; Li, Xiangdan; Zhang, Aiqing","Synthesis, characterization and olefin polymerization behaviors of phenylene-bridged bis-β-carbonylenamine binuclear titanium complexes","RSC Advances","2018","8","13","6954","","10.1039/C8RA00071A","","","0.71073","MoKα","","0.1988","0.0916","","","0.2043","0.2721","","","","","","0.963","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230161","26.166","0.005","10.162","0.002","8.6509","0.0017","90","","90","","90","","2300.3","0.8","104.66","0.14","104.66","0.14","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H25 Cl3 N O Rh -","- C23 H25 Cl3 N O Rh -","- C92 H100 Cl12 N4 O4 Rh4 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","0.71073","MoKα","","0.0323","0.031","","","0.0757","0.0765","","","","","","1.078","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230162","8.2945","0.0002","24.479","0.0007","15.6644","0.0004","90","","101.702","0.003","90","","3114.41","0.15","151","0.3","151","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 Cl Ir N O3 -","- C37 H35 Cl Ir N O3 -","- C148 H140 Cl4 Ir4 N4 O12 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","1.54184","CuKα","","0.042","0.0311","","","0.0667","0.0723","","","","","","1.057","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230163","23.3666","0.0004","18.5319","0.0004","23.8394","0.0004","90","","101.938","0.0018","90","","10099.8","0.3","134.5","0.7","134.5","0.7","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H43 Br4 Cl5 Ir N O -","- C52 H43 Br4 Cl5 Ir N O -","- C416 H344 Br32 Cl40 Ir8 N8 O8 -","8","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","1.54184","CuKα","","0.0499","0.041","","","0.0983","0.1035","","","","","","1.015","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230164","17.5282","0.0005","11.548","0.0003","13.785","0.0004","90","","90","","90","","2790.3","0.13","99.99","0.1","99.99","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H32 Ir N O -","- C36 H32 Ir N O -","- C144 H128 Ir4 N4 O4 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","0.71073","MoKα","","0.0276","0.0233","","","0.0469","0.049","","","","","","1.051","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230165","10.6814","0.0005","15.2053","0.0007","18.938","0.0008","90","","101.078","0.004","90","","3018.5","0.2","143.2","0.3","143.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Ir N O2 -","- C38 H38 Ir N O2 -","- C152 H152 Ir4 N4 O8 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","0.71073","MoKα","","0.0411","0.0306","","","0.0576","0.0616","","","","","","1.037","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230166","14.5879","0.0015","15.7035","0.0016","17.2298","0.0017","107.147","0.002","105.89","0.002","109.408","0.002","3240.5","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H47 B F24 Ir N O -","- C69 H47 B F24 Ir N O -","- C138 H94 B2 F48 Ir2 N2 O2 -","2","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","","0.71073","MoKα","","0.0473","0.0372","","","0.0899","0.0935","","","","","","1.048","","","","has coordinates,has disorder","206443","2020-10-21","18:00:00",""
"7230167","13.146","0.0004","14.8634","0.0004","27.0887","0.0009","82.995","0.002","79.253","0.003","89.665","0.002","5160.5","0.3","157.39","0.15","157.39","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 F Ir N O -","- C30 H27 F Ir N O -","- C240 H216 F8 Ir8 N8 O8 -","8","4","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","1.54184","CuKα","","0.1063","0.0836","","","0.1982","0.2121","","","","","","1.047","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230168","10.021","0.002","13.993","0.003","15.997","0.004","89.031","0.008","80.648","0.008","80.267","0.008","2181.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl2 Cu3 N4 O13 -","- C40 H42 Cl2 Cu3 N4 O13 -","- C80 H84 Cl4 Cu6 N8 O26 -","2","1","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.1435","0.0687","","","0.1607","0.2022","","","","","","0.979","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230169","16.0994","0.0012","12.1164","0.0009","24.2086","0.0018","90","","107.775","0.002","90","","4496.9","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 Cu2 Fe N4 O14 -","- C42 H48 Cl2 Cu2 Fe N4 O14 -","- C168 H192 Cl8 Cu8 Fe4 N16 O56 -","4","0.5","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.0529","0.0427","","","0.1108","0.1187","","","","","","1.087","","","","has coordinates,has disorder","301866","2025-08-22","21:38:14",""
"7230170","16.287","0.009","12.113","0.006","24.283","0.013","90","","108.528","0.007","90","","4542","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 Cu2 Mn N4 O14 -","- C42 H48 Cl2 Cu2 Mn N4 O14 -","- C168 H192 Cl8 Cu8 Mn4 N16 O56 -","4","0.5","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.0504","0.0368","","","0.0925","0.1006","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:14",""
"7230171","16.2","0.019","12.254","0.015","24.32","0.03","90","","108.149","0.015","90","","4588","10","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 Cu2 N4 O14 Zn -","- C42 H48 Cl2 Cu2 N4 O14 Zn -","- C168 H192 Cl8 Cu8 N16 O56 Zn4 -","4","0.5","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.1387","0.0943","","","0.2252","0.2693","","","","","","0.977","","","","has coordinates,has disorder","301866","2025-08-22","21:38:14",""
"7230172","10.9788","0.0006","23.9304","0.0013","18.3403","0.001","90","","91.497","0.002","90","","4816.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 Cu2 N4 Ni O14 -","- C40 H44 Cl2 Cu2 N4 Ni O14 -","- C160 H176 Cl8 Cu8 N16 Ni4 O56 -","4","1","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.0781","0.0448","","","0.1116","0.1291","","","","","","1.027","","","","has coordinates,has disorder","301866","2025-08-22","21:38:14",""
"7230173","20.9449","0.0009","13.2515","0.0006","19.8004","0.0009","90","","112.976","0.002","90","","5059.7","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H54 Cl2 Co Cu2 N4 O15 -","- C46 H54 Cl2 Co Cu2 N4 O15 -","- C184 H216 Cl8 Co4 Cu8 N16 O60 -","4","1","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.044","0.0395","","","0.1053","0.1091","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:14",""
"7230175","6.8337","0.0006","8.3901","0.0005","22.7542","0.0015","86.843","0.005","87.831","0.006","84.815","0.006","1296.6","0.16","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H34 N2 O6 Si4 -","- C17 H34 N2 O6 Si4 -","- C34 H68 N4 O12 Si8 -","2","1","","Perju, Elena; Cuervo-Reyes, Eduardo; Shova, Sergiu; Opris, Dorina M.","Synthesis of novel cyclosiloxane monomers containing push–pull moieties and their anionic ring opening polymerization","RSC Advances","2018","8","14","7569","","10.1039/C8RA00707A","","x-ray","0.71073","MoKα","","0.1194","0.0749","","","0.1282","0.1473","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230176","7.1467","0.0008","8.3552","0.0007","30.714","0.002","94.797","0.006","90.275","0.007","98.677","0.008","1806.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H44 N4 O8 Si4 -","- C27 H44 N4 O8 Si4 -","- C54 H88 N8 O16 Si8 -","2","1","","Perju, Elena; Cuervo-Reyes, Eduardo; Shova, Sergiu; Opris, Dorina M.","Synthesis of novel cyclosiloxane monomers containing push–pull moieties and their anionic ring opening polymerization","RSC Advances","2018","8","14","7569","","10.1039/C8RA00707A","","x-ray","0.71073","MoKα","","0.14","0.0947","","","0.2021","0.2282","","","","","","1.095","","","","has coordinates,has disorder","301866","2025-08-22","21:38:14",""
"7230177","23.52","0.02","5.994","0.005","15.843","0.013","90","","112.574","0.017","90","","2062","3","140","2","140","2","","","","","","","Endophytic Fungus Aspergillus aculeatus","4","C 1 2 1","C 2y","5","Aculeatine A","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Wang, Hao; Eze, Peter M.; Höfert, Simon-Patrick; Janiak, Christoph; Hartmann, Rudolf; Okoye, Festus B. C.; Esimone, Charles O.; Orfali, Raha S.; Dai, Haofu; Liu, Zhen; Proksch, Peter","Substituted l-tryptophan-l-phenyllactic acid conjugates produced by an endophytic fungus Aspergillus aculeatus using an OSMAC approach","RSC Advances","2018","8","14","7863","","10.1039/C8RA00200B","","","1.54178","CuKα","","0.0408","0.025","","","0.0658","0.0667","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230184","12.8967","0.0004","13.9278","0.0003","23.2246","0.0007","91.563","0.002","99.587","0.003","95.136","0.002","4093.1","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C101 H97 Cl3 N16 -","- C101 H97 Cl3 N16 -","- C202 H194 Cl6 N32 -","2","1","","Lone, Shabir H.; Jameel, Salman; Bhat, Muzzaffar A.; Lone, Rayees A.; Butcher, Ray J.; Bhat, Khursheed A.","Synthesis of an unusual quinazoline alkaloid: theoretical and experimental investigations of its structural, electronic, molecular and biological properties","RSC Advances","2018","8","15","8259","","10.1039/C8RA00138C","","","1.54184","CuKα","","0.1073","0.0902","","","0.265","0.2826","","","","","","1.045","","","","has coordinates,has disorder","301866","2025-08-22","21:38:14",""
"7230189","10.245","0.0013","25.069","0.002","8.5267","0.0009","90","","104.29","0.011","90","","2122.2","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","1,3-Bis[(E)-2-(methoxycarbonyl)-3-[6-(prop-2-ynyloxy)-naphthalen-2-yl]allyl]-1H-imidazol-3-ium chloride x 2CHCl3","","- C41 H35 Cl7 N2 O6 -","- C41 H35 Cl7 N2 O6 -","- C82 H70 Cl14 N4 O12 -","2","0.5","","Razzano, Vincenzo; Paolino, Marco; Reale, Annalisa; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Artusi, Roberto; Caselli, Gianfranco; Visintin, Michela; Makovec, Francesco; Battiato, Salvatore; Samperi, Filippo; Villafiorita-Monteleone, Francesca; Botta, Chiara; Cappelli, Andrea","Poly-histidine grafting leading to fishbone-like architectures","RSC Advances","2018","8","16","8638","","10.1039/C8RA00315G","","","0.71073","MoKα","","0.13","0.0748","","","0.1747","0.2125","","","","","","0.992","","","","has coordinates,has disorder","301866","2025-08-22","21:38:14",""
"7230190","7.203","0.0007","10.0784","0.0008","13.335","0.002","108.279","0.009","92.593","0.01","107.656","0.008","865.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 F3 N2 O -","- C20 H17 F3 N2 O -","- C40 H34 F6 N4 O2 -","2","1","","Sharma, Nutan; Sharma, Pankaj; Bhagat, Sunita","Eco-friendly reactions in PEG-400: a highly efficient and green approach for stereoselective access to multisubstituted 3,4-dihydro-2(1H)-quinazolines using 2-aminobenzylamines","RSC Advances","2018","8","16","8721","","10.1039/C7RA13487H","","","0.71073","MoKα","","0.1057","0.0852","","","0.2504","0.2691","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:14",""
"7230263","10.4959","0.0005","23.8566","0.0011","10.3499","0.0005","90","","106.471","0.005","90","","2485.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 S4 -","- C32 H22 S4 -","- C128 H88 S16 -","4","1","","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Mapp, Lucy K.; Coles, Simon J.","High-resolution X-ray diffraction determination of the electron density of 1-(8-PhSC10H6)SS(C10H6SPh-8′)-1′ with the QTAIM approach: evidence for S4 σ(4c–6e) at the naphthalene peri-positions","RSC Advances","2018","8","18","9651","","10.1039/C7RA13636F","","","0.71075","MoKα","","0.02","0.016","","","","0.023","","","","","","1.381","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230264","5.6642","0.0001","9.5973","0.0002","22.6622","0.0004","90","","90","","90","","1231.94","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-Isopropyl 2-hydroxy-3-nitro-2-phenylpropanoate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","","He, Feilong; Chen, Guanghui; Yang, Junxia; Liang, Guojuan; Deng, Ping; Xiong, Yan; Zhou, Hui","Catalytic enantioselective Henry reaction of α-keto esters, 2-acylpyridines and 2-acylpyridine N-oxides","RSC Advances","2018","8","17","9414","","10.1039/C8RA00552D","","","1.54178","CuKα","","0.0336","0.0331","","","0.1039","0.1046","","","","","","1.184","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230265","7.337","0.0003","10.4908","0.0004","23.2831","0.0009","90","","95.626","0.003","90","","1783.49","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Fe N -","- C25 H19 Fe N -","- C100 H76 Fe4 N4 -","4","1","","Mou, Rui-Qi; Zhao, Mei; Lv, Xue-Xin; Zhang, Sheng-Yan; Guo, Dian-Shun","An efficient and green synthesis of ferrocenyl-quinoline conjugates via a TsOH-catalyzed three-component reaction in water","RSC Advances","2018","8","17","9555","","10.1039/C8RA01004H","","x-ray","0.71073","MoKα","","0.0388","0.0336","","","0.084","0.0878","","","","","","1.055","","","","has coordinates","206805","2020-10-21","18:00:00",""
"7230266","8.36603","0.00017","20.5582","0.0004","11.349","0.0002","90","","107.835","0.002","90","","1858.12","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Mou, Rui-Qi; Zhao, Mei; Lv, Xue-Xin; Zhang, Sheng-Yan; Guo, Dian-Shun","An efficient and green synthesis of ferrocenyl-quinoline conjugates via a TsOH-catalyzed three-component reaction in water","RSC Advances","2018","8","17","9555","","10.1039/C8RA01004H","","x-ray","1.54184","CuKα","","0.042","0.0365","","","0.0899","0.0928","","","","","","1.015","","","","has coordinates","206805","2020-10-21","18:00:00",""
"7230300","11.491","0.0001","13.4946","0.0001","18.7471","0.0002","90","","90","","90","","2907.05","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O9 -","- C32 H40 O9 -","- C128 H160 O36 -","4","1","","Sun, Dong-Mei; An, Fa-Liang; Wei, Shan-Shan; Zhang, Yan-Qiu; Wang, Xiao-Bing; Luo, Jun; Kong, Ling-Yi","Cipadessains A–K, eleven limonoids from the fruits of Cipadessa cinerascens","RSC Advances","2018","8","19","10437","","10.1039/C8RA00728D","","","1.54184","CuKα","","0.0449","0.042","","","0.1148","0.1182","","","","","","1.033","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230305","7.809","0.007","19.125","0.018","24.66","0.02","90","","90.42","","90","","3683","6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N7 Pt -","- C44 H34 N7 Pt -","- C176 H136 N28 Pt4 -","4","1","","Zhang, Xiao-Peng; Wang, Li-Li; Zhang, Da-Shuai; Qi, Xiao-Wei; Shi, Zai-Feng; Lin, Qiang","Solvent-tuned charge-transfer properties of chiral Pt(ii) complex and TCNQ˙− anion adducts","RSC Advances","2018","8","20","10756","","10.1039/C8RA01330F","","","0.71073","MoKα","","0.1833","0.1037","","","0.2289","0.2525","","","","","","1.082","","","","has coordinates","207001","2020-10-21","18:00:00",""
"7230306","10.4848","0.0004","10.6394","0.0004","13.7737","0.0005","109.254","0.002","100.428","0.002","108.162","0.002","1307.48","0.09","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N6 O9 Tb -","- C26 H25 N6 O9 Tb -","- C52 H50 N12 O18 Tb2 -","2","1","","Goel, Nidhi; Kumar, Naresh","A dual-functional luminescent Tb(iii) metal‒organic framework for the selective sensing of acetone and TNP in water","RSC Advances","2018","8","20","10746","","10.1039/C7RA13494K","","","0.71073","MoKα","","0.0432","0.032","","","0.0897","0.0994","","","","","","0.779","","","","has coordinates","207002","2020-10-21","18:00:00",""
"7230314","9.652","0.005","11.432","0.005","13.068","0.005","108.905","0.005","98.795","0.005","109.501","0.005","1229.6","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","ethyl 6-([2,2':5',2''-terthiophen]-5-yl)-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C30 H20 O3 S3 -","- C30 H20 O3 S3 -","- C60 H40 O6 S6 -","2","1","","Fabrizi de Biani, Fabrizia; Reale, Annalisa; Razzano, Vincenzo; Paolino, Marco; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Mróz, Wojciech; Piovani, Daniele; Botta, Chiara; Cappelli, Andrea","Electrochemical and optoelectronic properties of terthiophene- and bithiophene-based polybenzofulvene derivatives","RSC Advances","2018","8","20","10836","","10.1039/C7RA13242E","","","0.71073","MoKα","","0.0977","0.0573","","","0.1177","0.1425","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230382","10.5437","0.0012","8.0245","0.0009","10.8487","0.0012","90","","93.598","0.002","90","","916.08","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O7 -","- C8 H10 O7 -","- C32 H40 O28 -","4","1","","Tryznowski, M.; Świderska, A.","Novel high reactive bifunctional five- and six-membered bicyclic dicarbonate – synthesis and characterisation","RSC Advances","2018","8","21","11749","","10.1039/C8RA00669E","","","1.54178","CuKα","","0.034","0.0332","","","0.0844","0.0851","","","","","","1.193","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230383","9.2602","0.0005","9.472","0.0004","11.9414","0.0004","107.154","0.004","96.395","0.003","95.55","0.004","985.29","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 F3 N O6 P -","- C16 H21 F3 N O6 P -","- C32 H42 F6 N2 O12 P2 -","2","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","","0.7107","MoKα","","0.0838","0.0738","","","0.2121","0.2201","","","","","","1.135","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230384","18.3893","0.0004","18.3893","0.0004","15.9702","0.0008","90","","90","","90","","5400.6","0.3","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27 H34 N O4 P -","- C27 H34 N O4 P -","- C216 H272 N8 O32 P8 -","8","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","x-ray","0.71073","MoKα","","0.0613","0.044","","","0.1028","0.1136","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230385","11.296","0.0006","12.0965","0.0006","12.4628","0.0006","112.998","0.005","110.653","0.004","98.152","0.004","1387.42","0.16","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H37 N2 O8 P S -","- C22 H37 N2 O8 P S -","- C44 H74 N4 O16 P2 S2 -","2","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","","0.7107","MoKα","","0.0675","0.0593","","","0.1717","0.1809","","","","","","1.075","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230386","9.1196","0.0007","11.0522","0.0009","13.648","0.0013","71.568","0.008","77.69","0.007","87.393","0.006","1274.7","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N2 O7 P S -","- C24 H33 N2 O7 P S -","- C48 H66 N4 O14 P2 S2 -","2","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","x-ray","0.71073","MoKα","","0.1169","0.0851","","","0.1902","0.205","","","","","","1.023","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230387","9.4187","0.0003","11.5503","0.0005","25.4175","0.001","90.406","0.003","99.189","0.003","113.524","0.004","2495.13","0.19","130","1","130","1","","","","","","","","7","P -1","-P 1","2","","","","- C22 H28 F3 N2 O5 P S -","- C22 H28 F3 N2 O5 P S -","- C88 H112 F12 N8 O20 P4 S4 -","4","2","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","","0.7107","MoKα","","0.0529","0.0408","","","0.0987","0.1063","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230388","10.1589","0.0016","10.3309","0.0011","10.8732","0.0011","108.225","0.01","112.48","0.012","90.483","0.01","990.8","0.2","130","1","130","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 F3 N O6 P -","- C16 H21 F3 N O6 P -","- C32 H42 F6 N2 O12 P2 -","2","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","x-ray","0.71073","MoKα","","0.2218","0.1181","","","0.306","0.3662","","","","","","1.028","","","","has coordinates","207150","2020-10-21","18:00:00",""
"7230389","12.854","0.0007","9.8269","0.0006","14.2696","0.0011","90","","94.215","0.005","90","","1797.6","0.2","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Benzoxazole Derivatives","ethyl (E)-3-(2-(5-bromo-2-hydroxyphenyl)-5-methylbenzo[d]oxazol-3(2H)-yl)acrylate","","- C19 H18 Br N O4 -","- C19 H18 Br N O4 -","- C76 H72 Br4 N4 O16 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds","RSC Advances","2018","8","22","12152","","10.1039/C8RA01478G","","","0.7107","MoKα","","0.1008","0.0483","","","0.1102","0.1371","","","","","","1.017","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7230390","7.534","0.0005","13.2552","0.001","15.2014","0.0012","90","","90","","90","","1518.08","0.19","298","2","298","2","","","","","","","No","4","P 21 21 21","P 2ac 2ab","19","1,3-benzoxazine","methyl (E)-3-(2-(2-hydroxyphenyl)-2H-benzo[d][1,3]oxazin-1(4H)-yl)acrylate","","- C19 H18 N O3 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds","RSC Advances","2018","8","22","12152","","10.1039/C8RA01478G","","","0.7107","MoKα","","0.0758","0.0458","","","0.0843","0.0976","","","","","","1.011","","","","has coordinates","207174","2020-10-21","18:00:00",""
"7230404","13.4681","0.0015","11.9193","0.0013","24.483","0.003","90","","95.984","0.004","90","","3908.8","0.8","120","2","119.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 N6 O28 Tb4 -","- C76 H86 N6 O28 Tb4 -","- C152 H172 N12 O56 Tb8 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.0405","0.0267","","","0.0513","0.0575","","","","","","1.116","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230405","13.49","0.0007","11.9674","0.0006","24.506","0.0013","90","","95.961","0.002","90","","3934.9","0.4","120","2","120.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Gd4 N6 O28 -","- C76 H86 Gd4 N6 O28 -","- C152 H172 Gd8 N12 O56 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.0737","0.0428","","","0.0616","0.0683","","","","","","1.093","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230406","13.457","0.003","11.905","0.002","24.5","0.006","90","","96.03","","90","","3903.3","1.4","120","2","120.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Dy4 N6 O28 -","- C76 H86 Dy4 N6 O28 -","- C152 H172 Dy8 N12 O56 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.0383","0.0311","","","0.0531","0.0549","","","","","","1.182","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230407","13.4321","0.0016","11.848","0.0014","24.45","0.003","90","","96.123","0.004","90","","3868.9","0.8","120","2","119.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Ho4 N6 O28 -","- C76 H86 Ho4 N6 O28 -","- C152 H172 Ho8 N12 O56 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.05","0.0313","","","0.0603","0.0685","","","","","","1.058","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230408","13.4131","0.0007","11.8637","0.0007","24.458","0.0014","90","","96.222","0.002","90","","3869.1","0.4","120","2","119.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Er4 N6 O28 -","- C76 H86 Er4 N6 O28 -","- C152 H172 Er8 N12 O56 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.0413","0.0329","","","0.0546","0.0563","","","","","","1.206","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230409","9.7875","0.0012","10.5334","0.0012","15.8394","0.0018","73.134","0.006","82.652","0.006","75.019","0.006","1507.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Jana, Sourav; Samanta, Sadhanendu; Bagdi, Avik K.; Shirinian, Valerii Z.; Hajra, Alakananda","Metal-free C–H arylation of imidazoheterocycles with aryl hydrazines","RSC Advances","2018","8","22","12360","","10.1039/C8RA01474D","","","0.71073","MoKα","","0.1049","0.0713","","","0.1779","0.2194","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230410","8.7539","0.0014","10.693","0.0017","11.5682","0.0018","90","","102.694","0.002","90","","1056.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Cl2 N O2 -","- C25 H21 Cl2 N O2 -","- C50 H42 Cl4 N2 O4 -","2","1","","Liu, Fu-Jun; Sun, Tian-Tian; Yang, Yun-Gang; Huang, Chao; Chen, Xue-Bing","Divergent synthesis of dual 1,4-dihydropyridines with different substituted patterns from enaminones and aldehydes through domino reactions","RSC Advances","2018","8","23","12635","","10.1039/C8RA01236A","","","0.71073","MoKα","","0.0518","0.0387","","","0.1013","0.1103","","","","","","0.953","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230411","9.1294","0.0012","9.2735","0.0013","16.422","0.002","93.116","0.004","97.317","0.004","115.044","0.004","1240.2","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 Cl4 F2 N2 S -","- C60 H42 Cl4 F2 N2 S -","- C60 H42 Cl4 F2 N2 S -","1","0.5","","Yu, Chin-Yang; Hsu, Chia-Chieh; Weng, Hsi-Chen","Synthesis, characterization, aggregation-induced emission, solvatochromism and mechanochromism of fluorinated benzothiadiazole bonded to tetraphenylethenes","RSC Advances","2018","8","23","12619","","10.1039/C8RA01448E","","","0.71073","MoKα","","0.0489","0.0447","","","0.1107","0.1147","","","","","","1.033","","","","has coordinates,has disorder","207223","2020-10-21","18:00:00",""
"7230468","8.1328","0.0005","8.7088","0.0006","13.6692","0.0009","85.976","0.006","84.815","0.005","74.343","0.006","927.35","0.11","140","2","140","2","","","","","","","","4","P -1","-P 1","2","fenofibrate","","","- C20 H21 Cl O4 -","- C20 H21 Cl O4 -","- C40 H42 Cl2 O8 -","2","1","","Tipduangta, Pratchaya; Takieddin, Khaled; Fábián, László; Belton, Peter; Qi, Sheng","Towards controlling the crystallisation behaviour of fenofibrate melt: triggers of crystallisation and polymorphic transformation","RSC Advances","2018","8","24","13513","","10.1039/C8RA01182F","","","0.71073","MoKα","","0.1307","0.0694","","","0.1265","0.1507","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230469","14.7747","0.0003","11.8462","0.0003","13.9054","0.0003","90","","90","","90","","2433.78","0.09","149.99","0.1","149.99","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","J-A","","- C36 H28 N2 -","- C36 H28 N2 -","- C144 H112 N8 -","4","0.5","","Xia, Zeming; Guo, Xiaoyu; Zhu, Yanpeng; Wang, Yonggen; Wang, Jiaobing","A julolidine-fused anthracene derivative: synthesis, photophysical properties, and oxidative dimerization","RSC Advances","2018","8","24","13588","","10.1039/C8RA02205D","","x-ray","1.54184","CuKα","","0.0476","0.0409","","","0.1119","0.1181","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230470","6.7767","0.0006","10.2586","0.0009","13.5319","0.0013","102.123","0.002","98.442","0.002","94.97","0.002","903.05","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(2-benzyl-3,5-diphenyl-2,3-dihydro-1H-pyrazol-1-yl)palladium(IV) chloride","","- C22 H18 Cl N2 Pd0.5 -","- C22 H18 Cl N2 Pd0.5 -","- C44 H36 Cl2 N4 Pd -","2","1","","Ocansey, Edward; Darkwa, James; Makhubela, Banothile C. E.","Synthesis, characterization and evaluation of bulky bis(pyrazolyl)palladium complexes in Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2018","8","25","13826","","10.1039/C8RA01430B","","x-ray","0.71073","MoKα","","0.0316","0.0287","","","0.0674","0.0687","","","","","","1.082","","","","has coordinates","207330","2020-10-21","18:00:00",""
"7230472","17.0967","0.0015","13.6362","0.0013","7.132","0.0007","90","","97.993","0.004","90","","1646.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Co3 N2 O22 -","- C28 H32 Co3 N2 O22 -","- C56 H64 Co6 N4 O44 -","2","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties","RSC Advances","2018","8","25","14101","","10.1039/C8RA01900B","","","0.71073","MoKα","","0.0495","0.037","","","0.0915","0.0978","","","","","","1.112","","","","has coordinates","207361","2020-10-21","18:00:00",""
"7230473","16.6233","0.0015","13.4654","0.0013","7.1298","0.0007","90","","100.442","0.004","90","","1569.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 Ni3 O22 -","- C28 H24 N2 Ni3 O22 -","- C56 H48 N4 Ni6 O44 -","2","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties","RSC Advances","2018","8","25","14101","","10.1039/C8RA01900B","","","0.71073","MoKα","","0.0649","0.0436","","","0.103","0.1141","","","","","","1.047","","","","has coordinates","207361","2020-10-21","18:00:00",""
"7230474","16.699","0.004","13.51","0.003","7.1625","0.0018","90","","100.626","0.009","90","","1588.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 Ni3 O22 -","- C28 H24 N2 Ni3 O22 -","- C56 H48 N4 Ni6 O44 -","2","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties","RSC Advances","2018","8","25","14101","","10.1039/C8RA01900B","","","0.71073","MoKα","","0.0649","0.0444","","","0.1086","0.1185","","","","","","1.058","","","","has coordinates","207361","2020-10-21","18:00:00",""
"7230475","9.7204","0.0003","12.3536","0.0004","20.3225","0.0006","79.87","0.006","85.941","0.006","74.901","0.005","2318.59","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","bisANBODIPY-CN","","- C106.64 H105.32 B2 Cl2.66 F4 N9.34 -","- C106.64 H105.32 B2 Cl2.66 F4 N9.34 -","- C106.64 H105.32 B2 Cl2.66 F4 N9.34 -","1","0.5","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.1052","0.081","","","0.2087","0.2216","","","","","","1.035","","","","has coordinates,has disorder","207362","2020-10-21","18:00:00",""
"7230476","40.901","0.003","9.5734","0.0008","23.3784","0.0019","90","","109.513","0.008","90","","8628.3","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","B-bisANBODIPYMe4","","- C88 H100 B2 F4 N4 -","- C88 H100 B2 F4 N4 -","- C352 H400 B8 F16 N16 -","4","0.5","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.0878","0.0615","","","0.1748","0.187","","","","","","1.035","","","","has coordinates,has disorder","207363","2020-10-21","18:00:00",""
"7230477","18.82","0.005","9.636","0.003","29.019","0.008","90","","99.313","0.004","90","","5193","3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","BCOD-bisANBODIPYtetraester","","- C106 H130 B2 Cl6 F4 N4 O10 -","- C106 H130 B2 Cl6 F4 N4 O10 -","- C212 H260 B4 Cl12 F8 N8 O20 -","2","1","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","0.71075","MoKα","","0.1355","0.0981","","","0.2083","0.234","","","","","","1.055","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230478","9.7965","0.0009","15.1276","0.0014","18.8622","0.0017","67.575","0.005","82.999","0.006","89.724","0.006","2562","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","B-bisANBODIPYtetraester_sqd","","- C100 H114 B2 F4 N6 O8 -","- C100 H114 B2 F4 N6 O8 -","- C100 H114 B2 F4 N6 O8 -","1","0.5","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.1175","0.0722","","","0.1833","0.2097","","","","","","0.967","","","","has coordinates,has disorder","207363","2020-10-21","18:00:00",""
"7230479","14.448","0.0004","16.3453","0.0004","17.0276","0.0004","96.286","0.007","100.811","0.007","92.31","0.007","3918.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","B-bisANBODIPYtetraester_HexO","","- C92 H100.75 B1.25 F2.5 N4 O10 -","- C92 H100.75 B1.25 F2.5 N4 O10 -","- C184 H201.5 B2.5 F5 N8 O20 -","2","1","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.0942","0.0771","","","0.1996","0.211","","","","","","1.068","","","","has coordinates,has disorder","207363","2020-10-21","18:00:00",""
"7230480","15.0241","0.0006","16.7591","0.0007","20.3153","0.0008","67.913","0.005","71.611","0.005","81.904","0.006","4496.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","BCOD-bisANBODIPYMe4_sqd","","- C90 H104 B2 F4 N4 -","- C90 H104 B2 F4 N4 -","- C180 H208 B4 F8 N8 -","2","1","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.2227","0.0829","","","0.1789","0.1979","","","","","","1.029","","","","has coordinates","207363","2020-10-21","18:00:00",""
"7230485","13.567","0.0005","16.78","0.0005","13.9927","0.0005","90","","106.554","0.003","90","","3053.46","0.19","153.15","","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Fe O P3 Si -","- C28 H49 Fe O P3 Si -","- C112 H196 Fe4 O4 P12 Si4 -","4","1","","Zhang, Peng; Li, Xiaoyan; Qi, Xinghao; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Transfer hydrogenation of aldehydes catalyzed by silyl hydrido iron complexes bearing a [PSiP] pincer ligand","RSC Advances","2018","8","25","14092","","10.1039/C8RA02606H","","x-ray","0.71073","MoKα","","0.0498","0.0352","","","0.0877","0.0924","","","","","","0.973","","","","has coordinates","207379","2020-10-21","18:00:00",""
"7230486","11.7181","0.0007","18.9232","0.0006","35.1134","0.0015","90","","91.084","0.004","90","","7784.8","0.6","200.15","","200.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Fe P4 Si -","- C42 H48 Fe P4 Si -","- C336 H384 Fe8 P32 Si8 -","8","2","","Zhang, Peng; Li, Xiaoyan; Qi, Xinghao; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Transfer hydrogenation of aldehydes catalyzed by silyl hydrido iron complexes bearing a [PSiP] pincer ligand","RSC Advances","2018","8","25","14092","","10.1039/C8RA02606H","","x-ray","1.54186","CuKα","","0.071","0.0515","","","0.1312","0.1419","","","","","","1.029","","","","has coordinates","207379","2020-10-21","18:00:00",""
"7230487","5.86412","0.0001","10.14207","0.00016","27.2115","0.0004","90","","90","","90","","1618.39","0.04","149.95","0.1","149.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Fe O2 S2 -","- C20 H14 Fe O2 S2 -","- C80 H56 Fe4 O8 S8 -","4","1","","Schwartz, Pierre-Olivier; Förtsch, Sebastian; Mena-Osteritz, Elena; Weirather-Köstner, Dagmar; Wachtler, Mario; Bäuerle, Peter","Ferrocene-functionalized polyheteroacenes for the use as cathode active material in rechargeable batteries","RSC Advances","2018","8","26","14193","","10.1039/C8RA00129D","","x-ray","0.71073","MoKα","","0.0289","0.0256","","","0.0516","0.0532","","","","","","1.077","","","","has coordinates","207380","2020-10-21","18:00:00",""
"7230488","12.0254","0.0006","15.9496","0.0009","16.7865","0.0007","90","","115.616","0.003","90","","2903.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Br N3 O5 -","- C30 H27.5 Br N3 O4.5 -","- C120 H110 Br4 N12 O18 -","4","1","","Barakat, Assem; Islam, Mohammad Shahidul; Ghawas, Hussien Mansur; Al-Majid, Abdullah Mohammed; El-Senduny, Fardous F.; Badria, Farid A.; Elshaier, Yaseen A. M. M.; Ghabbour, Hazem A.","Substituted spirooxindole derivatives as potent anticancer agents through inhibition of phosphodiesterase 1","RSC Advances","2018","8","26","14335","","10.1039/C8RA02358A","","","0.71073","MoKα","","0.1672","0.0907","","","0.2317","0.2789","","","","","","1.029","","","","has coordinates","207381","2020-10-21","18:00:00",""
"7230489","13.3388","0.0005","7.1295","0.0003","13.188","0.0005","90","","97.232","0.002","90","","1244.19","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Barakat, Assem; Islam, Mohammad Shahidul; Ghawas, Hussien Mansur; Al-Majid, Abdullah Mohammed; El-Senduny, Fardous F.; Badria, Farid A.; Elshaier, Yaseen A. M. M.; Ghabbour, Hazem A.","Substituted spirooxindole derivatives as potent anticancer agents through inhibition of phosphodiesterase 1","RSC Advances","2018","8","26","14335","","10.1039/C8RA02358A","","","0.71073","MoKα","","0.1018","0.0604","","","0.134","0.1517","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230497","10.203","0.002","9.936","0.002","7.3949","0.0015","90","","90","","90","","749.7","0.3","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","RbNTZF","RbNTZF","","- C3 N7 O3 Rb -","- C3 N7 O3 Rb -","- C12 N28 O12 Rb4 -","4","1","","Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen","3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance","RSC Advances","2018","8","26","14589","","10.1039/C8RA02682C","","","0.71073","MoKα","","0.0328","0.0304","","","0.1012","0.1247","","","","","","1.33","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230498","10.376","0.002","10.128","0.002","7.6675","0.0015","90","","90","","90","","805.8","0.3","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 Cs N7 O3 -","- C3 Cs N7 O3 -","- C12 Cs4 N28 O12 -","4","1","","Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen","3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance","RSC Advances","2018","8","26","14589","","10.1039/C8RA02682C","","","0.71073","MoKα","","0.0497","0.037","","","0.1064","0.18","","","","","","1.689","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230501","14.7181","0.0007","10.2605","0.0005","12.0651","0.0006","90","","90","","90","","1822.01","0.15","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","0.5","","Kotha, Sambasivarao; Pulletikurti, Sunil","Synthesis of propellanes containing a bicyclo[2.2.2]octene unit via the Diels–Alder reaction and ring-closing metathesis as key steps","RSC Advances","2018","8","27","14906","","10.1039/C8RA02687D","","x-ray","0.71073","MoKα","","0.056","0.0455","","","0.1211","0.1319","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230502","14.1111","0.0001","11.0424","0.0001","20.3079","0.0002","90","","94.01","0.001","90","","3156.64","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H75 Cl9 O20 -","- C57 H75 Cl9 O20 -","- C114 H150 Cl18 O40 -","2","1","","Yan, Chong; Liu, Weiyang; Li, Jing; Deng, Yanlian; Chen, Senhua; Liu, Hongju","Bioactive terpenoids from Santalum album derived endophytic fungus Fusarium sp. YD-2","RSC Advances","2018","8","27","14823","","10.1039/C8RA02430H","","x-ray","1.54178","CuKα","","0.0618","0.0605","","","0.1718","0.1739","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230513","6.1629","0.0002","18.1237","0.0006","12.4853","0.0004","90","","102.545","0.002","90","","1361.25","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C60 H92 O14 -","2","1","","Lu, Ni-Hong; Zhang, Zi-Wei; Guo, Rui-Wei; Yang, Li-Xia; Song, Ya-Xian; Ye, Jin-Shan; Shi, Yan-Kun","Yunnanterpene G, a spiro-triterpene from the roots of Cimicifuga foetida, downregulates the expression of CD147 and MMPs in PMA differentiated THP-1 cells","RSC Advances","2018","8","27","15036","","10.1039/C8RA01895B","","","1.54178","CuKα","","0.0472","0.0456","","","0.1194","0.1209","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230549","11.1093","0.0002","12.6235","0.0003","15.366","0.0003","90","","90","","90","","2154.9","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O4 -","- C27 H21 N O4 -","- C108 H84 N4 O16 -","4","1","","Lin, Jun-Bing; Cheng, Xi-Na; Tian, Xiao-Dong; Xu, Guo-Qiang; Luo, Yong-Chun; Xu, Peng-Fei","A C1-symmetric N-heterocyclic carbene catalysed oxidative spiroannulation of isatin-derived enals: highly enantioselective synthesis of spirooxindole δ-lactones","RSC Advances","2018","8","28","15444","","10.1039/C8RA02009D","","","1.5418","CuKα","","0.0432","0.0418","","","0.1096","0.1119","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230550","8.023","0.0006","10.5211","0.0008","18.4479","0.0016","90","","90","","90","","1557.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Singh, Anoop; Mir, Nisar A.; Choudhary, Sachin; Singh, Deepika; Sharma, Preetika; Kant, Rajni; Kumar, Indresh","One-pot sequential multicomponent reaction between in situ generated aldimines and succinaldehyde: facile synthesis of substituted pyrrole-3-carbaldehydes and applications towards medicinally important fused heterocycles","RSC Advances","2018","8","28","15448","","10.1039/C8RA01637B","","","0.71073","MoKα","","0.0911","0.0511","","","0.0913","0.1085","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230551","9.9462","0.0007","15.4122","0.0009","15.2477","0.0011","90","","96.432","0.007","90","","2322.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl N2 O3 S -","- C26 H19 Cl N2 O3 S -","- C104 H76 Cl4 N8 O12 S4 -","4","1","","Singh, Anoop; Mir, Nisar A.; Choudhary, Sachin; Singh, Deepika; Sharma, Preetika; Kant, Rajni; Kumar, Indresh","One-pot sequential multicomponent reaction between in situ generated aldimines and succinaldehyde: facile synthesis of substituted pyrrole-3-carbaldehydes and applications towards medicinally important fused heterocycles","RSC Advances","2018","8","28","15448","","10.1039/C8RA01637B","","","0.71073","MoKα","","0.0945","0.0515","","","0.1143","0.1347","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230552","10.0094","0.0003","12.3115","0.0004","16.2016","0.0005","105.182","0.003","103.964","0.003","99.368","0.003","1814.67","0.11","113","0.1","113","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F18 Gd N5 O9 -","- C25 H21 F18 Gd N5 O9 -","- C50 H42 F36 Gd2 N10 O18 -","2","1","","Chen, Peng Yun; Wu, Ming Ze; Shi, Xiu Juan; Tian, Li","A family of multi-spin rare-earth complexes based on a triazole nitronyl nitroxide radical: synthesis, structure and magnetic properties","RSC Advances","2018","8","28","15480","","10.1039/C8RA02546K","","x-ray","0.71073","MoKα","","0.0462","0.0394","","","0.0868","0.0913","","","","","","1.03","","","","has coordinates,has disorder","207463","2020-10-21","18:00:00",""
"7230553","17.435","0.0004","21.3325","0.0007","23.0646","0.0005","90","","97.183","0.002","90","","8511.1","0.4","156.9","0.7","156.9","0.7","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 Cl3 Dy2 F36 N10 O16 -","- C51 H39 Cl3 Dy2 F36 N10 O16 -","- C204 H156 Cl12 Dy8 F144 N40 O64 -","4","1","","Chen, Peng Yun; Wu, Ming Ze; Shi, Xiu Juan; Tian, Li","A family of multi-spin rare-earth complexes based on a triazole nitronyl nitroxide radical: synthesis, structure and magnetic properties","RSC Advances","2018","8","28","15480","","10.1039/C8RA02546K","","","1.54184","CuKα","","0.0897","0.0739","","","0.1933","0.206","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230554","9.9958","0.0003","12.3076","0.0004","16.1878","0.0006","105.052","0.003","103.9","0.003","99.476","0.003","1811.28","0.12","113.01","0.1","113.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F18 N5 O9 Tb -","- C25 H21 F18 N5 O9 Tb -","- C50 H42 F36 N10 O18 Tb2 -","2","1","","Chen, Peng Yun; Wu, Ming Ze; Shi, Xiu Juan; Tian, Li","A family of multi-spin rare-earth complexes based on a triazole nitronyl nitroxide radical: synthesis, structure and magnetic properties","RSC Advances","2018","8","28","15480","","10.1039/C8RA02546K","","x-ray","1.54184","CuKα","","0.0522","0.047","","","0.116","0.1205","","","","","","1.042","","","","has coordinates,has disorder","207463","2020-10-21","18:00:00",""
"7230555","7.4127","0.0001","8.0298","0.0001","10.9583","0.0002","73.3544","0.0008","83.3366","0.0008","73.6078","0.0008","599.09","0.016","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C30 H30 N2 O4 -","2","1","","Hu, Rong; Zhoujin, Yunping; Liu, Meng; Zhang, Mingtao; Parkin, Sean; Zhou, Panpan; Wang, Jianzhi; Yu, Faquan; Long, Sihui","Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid","RSC Advances","2018","8","28","15459","","10.1039/C7RA13353G","","","0.71073","MoKα","","0.0496","0.0434","","","0.114","0.119","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230556","7.524","0.002","8.103","0.002","11.191","0.003","72.582","0.004","83.74","0.004","73.854","0.004","625.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C30 H30 N2 O4 -","2","1","","Hu, Rong; Zhoujin, Yunping; Liu, Meng; Zhang, Mingtao; Parkin, Sean; Zhou, Panpan; Wang, Jianzhi; Yu, Faquan; Long, Sihui","Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid","RSC Advances","2018","8","28","15459","","10.1039/C7RA13353G","","","0.71073","MoKα","","0.0545","0.0474","","","0.1307","0.1385","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230557","8.5141","0.0017","17.426","0.004","17","0.003","90","","97.44","0.03","90","","2501","0.9","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 -","- C36 H28 -","- C144 H112 -","4","1","","Zhang, Zhao-Ming; Miao, Bao-Xi; Tang, Xin-Xue; Ni, Zhong-Hai","A series of 4,5,9,10-tetrahydropyrene-based tetraarylethenes: synthesis, structures and solid-state emission behavior","RSC Advances","2018","8","27","15173","","10.1039/C8RA00057C","","","0.71073","MoKα","","0.092","0.0832","","","0.2043","0.2169","","","","","","1.091","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230558","8.1823","0.0016","12.694","0.003","19.994","0.004","90.14","0.03","93.52","0.03","101.8","0.03","2028.7","0.8","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H44 -","- C56 H44 -","- C112 H88 -","2","1","","Zhang, Zhao-Ming; Miao, Bao-Xi; Tang, Xin-Xue; Ni, Zhong-Hai","A series of 4,5,9,10-tetrahydropyrene-based tetraarylethenes: synthesis, structures and solid-state emission behavior","RSC Advances","2018","8","27","15173","","10.1039/C8RA00057C","","","0.71073","MoKα","","0.1356","0.0816","","","0.1866","0.215","","","","","","1.051","","","","has coordinates,has disorder","301866","2025-08-22","21:38:15",""
"7230561","8.7974","0.0005","6.696","0.0004","23.1544","0.0015","90","","93.145","0.005","90","","1361.91","0.14","110.8","0.2","110.8","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Mn O8 -","- C10 H18 Mn O8 -","- C40 H72 Mn4 O32 -","4","1","","Kretzschmar, B. S. M.; Assim, K.; Preuß, A.; Heft, A.; Korb, M.; Pügner, M.; Lampke, T.; Grünler, B.; Lang, H.","Cobalt and manganese carboxylates for metal oxide thin film deposition by applying the atmospheric pressure combustion chemical vapour deposition process","RSC Advances","2018","8","28","15632","","10.1039/C8RA02288G","","","0.71073","MoKα","","0.0676","0.0614","","","0.1519","0.1547","","","","","","1.14","","","","has coordinates","207478","2020-10-21","18:00:00",""
"7230562","9.3851","0.0006","11.5543","0.0008","12.0921","0.0008","95.088","0.001","91.155","0.001","104.026","0.001","1265.96","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 Cl2 N O2 -","- C31 H25 Cl2 N O2 -","- C62 H50 Cl4 N2 O4 -","2","1","","Guo, Jiao-Mei; Wang, Wen-Bo; Guo, Jia; Zhu, Yan-Shuo; Bai, Xu-Guan; Jin, Shao-Jing; Wang, Qi-Lin; Bu, Zhan-Wei","Diastereoselective construction of 4-indole substituted chromans bearing a ketal motif through a three-component Friedel–Crafts alkylation/ketalization sequence","RSC Advances","2018","8","28","15641","","10.1039/C8RA02481B","","","0.71073","MoKα","","0.0513","0.0375","","","0.0992","0.107","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230570","7.8851","0.0012","11.2622","0.0016","13.1273","0.0019","90","","90","","90","","1165.8","0.3","205","","205","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F N5 O4 -","- C10 H12 F N5 O4 -","- C40 H48 F4 N20 O16 -","4","1","","Feng, Hui; Du, Yuqi; Tang, Fan; Ji, Ning; Zhao, Xuefeng; Zhao, Hang; Chen, Qianming","Silver ions blocking crystallization of guanosine-based hydrogel for potential antimicrobial applications","RSC Advances","2018","8","28","15842","","10.1039/C8RA02500B","","","0.71073","MoKα","","0.0607","0.0456","","","0.1002","0.1093","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230571","16.254","0.001","5.0706","0.0003","12.3045","0.0007","90","","92.216","0.002","90","","1013.35","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O3 S -","- C11 H10 O3 S -","- C44 H40 O12 S4 -","4","1","","Wu, Yue; Zhang, Bingbing; Zheng, Yinying; Wang, Yuheng; Lei, Xinsheng","Cs2CO3-promoted defluorination and functionalization of α-CF3 carbonyl compounds in the presence of N-, O-, and/or S-nucleophiles","RSC Advances","2018","8","29","16019","","10.1039/C8RA02353K","","","0.71073","MoKα","","0.0274","0.0259","","","0.0664","0.0678","","","","","","1.069","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230575","7.542","0.0012","8.9322","0.0012","17.705","0.003","87.812","0.007","88.701","0.008","87.216","0.007","1190.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Br Mo N5 O4 -","- C20 H24 Br Mo N5 O4 -","- C40 H48 Br2 Mo2 N10 O8 -","2","1","","Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation","RSC Advances","2018","8","29","16294","","10.1039/C8RA01687A","","","0.71073","MoKα","","0.0313","0.0241","","","0.0529","0.0555","","","","","","1.052","","","","has coordinates","207600","2020-10-21","18:00:00",""
"7230576","7.406","0.0006","9.7868","0.0007","15.3808","0.0012","90","","97.385","0.004","90","","1105.57","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 Br Mo N5 O3 -","- C19 H24 Br Mo N5 O3 -","- C38 H48 Br2 Mo2 N10 O6 -","2","1","","Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation","RSC Advances","2018","8","29","16294","","10.1039/C8RA01687A","","","0.71073","MoKα","","0.0578","0.0415","","","0.0825","0.0889","","","","","","1.041","","","","has coordinates,has disorder","207600","2020-10-21","18:00:00",""
"7230577","9.0727","0.0004","7.6409","0.0003","22.0574","0.001","90","","94.711","0.002","90","","1523.93","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br N4 -","- C14 H21 Br N4 -","- C56 H84 Br4 N16 -","4","1","","Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation","RSC Advances","2018","8","29","16294","","10.1039/C8RA01687A","","","0.71073","MoKα","","0.0386","0.0232","","","0.0511","0.0564","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230580","22.7947","0.0013","7.8451","0.0004","37.255","0.002","90","","90","","90","","6662.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-acetyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[1,2-b]phthalazine-5,10-dione","","- C20 H15 F N2 O3 -","- C20 H15 F N2 O3 -","- C320 H240 F16 N32 O48 -","16","2","","Simijonović, Dušica; Petrović, Zorica D.; Milovanović, Vesna M.; Petrović, Vladimir P.; Bogdanović, Goran A.","A new efficient domino approach for the synthesis of pyrazolyl-phthalazine-diones. Antiradical activity of novel phenolic products","RSC Advances","2018","8","30","16663","","10.1039/C8RA02702A","","x-ray","0.71073","MoKα","","0.1427","0.0615","","","0.1176","0.1465","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:15",""
"7230597","12.29074","0.00014","6.54998","0.00008","21.8593","0.0003","90","","106.299","0.0005","90","","1689.04","0.04","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Ashok, Dongamanti; Chiranjeevi, Pamula; Kumar, Aamate Vikas; Sarasija, Madderla; Krishna, Vagolu Siva; Sriram, Dharmarajan; Balasubramanian, Sridhar","1,2,3-Triazole-fused spirochromenes as potential anti-tubercular agents: synthesis and biological evaluation","RSC Advances","2018","8","30","16997","","10.1039/C8RA03197E","","","0.71073","MoKα","","0.0735","0.0543","","","0.1362","0.1471","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230598","6.885","0.003","7.108","0.003","11.23","0.004","74.336","0.004","76.662","0.004","73.802","0.004","500.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","Hydroxy thiosemicarbazide derivative","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C18 H22 N6 O2 S2 -","2","1","","Mahendiran, Dharmasivam; Amuthakala, Sethu; Bhuvanesh, Nattamai S. P.; Kumar, Raju Senthil; Rahiman, Aziz Kalilur","Copper complexes as prospective anticancer agents: in vitro and in vivo evaluation, selective targeting of cancer cells by DNA damage and S phase arrest","RSC Advances","2018","8","30","16973","","10.1039/C8RA00954F","","","0.71073","MoKα","","0.0439","0.0382","","","0.0998","0.1042","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230599","9.3598","0.0013","14.568","0.002","29.931","0.004","97.237","0.005","93.441","0.005","94.101","0.005","4028.5","1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H34 Cl2 F3 N O3 P2 Pt S -","- C43 H34 Cl2 F3 N O3 P2 Pt S -","- C172 H136 Cl8 F12 N4 O12 P8 Pt4 S4 -","4","2","","Solomatina, Anastasia I.; Su, Shih-Hao; Lukina, Maria M.; Dudenkova, Varvara V.; Shcheslavskiy, Vladislav I.; Wu, Cheng-Ham; Chelushkin, Pavel S.; Chou, Pi-Tai; Koshevoy, Igor O.; Tunik, Sergey P.","Water-soluble cyclometalated platinum(ii) and iridium(iii) complexes: synthesis, tuning of the photophysical properties, and in vitro and in vivo phosphorescence lifetime imaging","RSC Advances","2018","8","31","17224","","10.1039/C8RA02742K","","","0.71073","MoKα","","0.0425","0.0342","","","0.0728","0.0758","","","","","","1.058","","","","has coordinates,has disorder","207726","2020-10-21","18:00:00",""
"7230600","12.1407","0.0003","12.2755","0.0003","14.8967","0.0004","101.793","0.001","99.306","0.001","101.647","0.001","2080.25","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H36 F3 N O5 P2 Pt S -","- C48 H36 F3 N O5 P2 Pt S -","- C96 H72 F6 N2 O10 P4 Pt2 S2 -","2","1","","Solomatina, Anastasia I.; Su, Shih-Hao; Lukina, Maria M.; Dudenkova, Varvara V.; Shcheslavskiy, Vladislav I.; Wu, Cheng-Ham; Chelushkin, Pavel S.; Chou, Pi-Tai; Koshevoy, Igor O.; Tunik, Sergey P.","Water-soluble cyclometalated platinum(ii) and iridium(iii) complexes: synthesis, tuning of the photophysical properties, and in vitro and in vivo phosphorescence lifetime imaging","RSC Advances","2018","8","31","17224","","10.1039/C8RA02742K","","","0.71073","MoKα","","0.0292","0.0267","","","0.0693","0.0707","","","","","","1.044","","","","has coordinates,has disorder","207726","2020-10-21","18:00:00",""
"7230601","9.0795","0.0003","14.0701","0.0005","18.407","0.0006","106.253","0.001","99.79","0.001","102.284","0.001","2138.74","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H32 F3 N O3 P2 Pt S2 -","- C44 H32 F3 N O3 P2 Pt S2 -","- C88 H64 F6 N2 O6 P4 Pt2 S4 -","2","1","","Solomatina, Anastasia I.; Su, Shih-Hao; Lukina, Maria M.; Dudenkova, Varvara V.; Shcheslavskiy, Vladislav I.; Wu, Cheng-Ham; Chelushkin, Pavel S.; Chou, Pi-Tai; Koshevoy, Igor O.; Tunik, Sergey P.","Water-soluble cyclometalated platinum(ii) and iridium(iii) complexes: synthesis, tuning of the photophysical properties, and in vitro and in vivo phosphorescence lifetime imaging","RSC Advances","2018","8","31","17224","","10.1039/C8RA02742K","","","0.71073","MoKα","","0.0221","0.02","","","0.0495","0.0501","","","","","","1.06","","","","has coordinates","207726","2020-10-21","18:00:00",""
"7230602","12.82","0.0016","14.912","0.0016","15.115","0.0012","104.639","0.006","92.409","0.006","103.251","0.006","2706","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu N2 O9 -","- C28 H28 Cu N2 O9 -","- C112 H112 Cu4 N8 O36 -","4","2","","de Medeiros, Wendy M. T. Q.; de Medeiros, Mayara J. C.; Carvalho, Edinilton M.; de Lima, Jailma A.; da S. Oliveira, Verônica; de B. Pontes, Ana C. F.; da Silva, Francisco O. N.; Ellena, Javier A.; de O. Rocha, Hugo A.; de Sousa, Eduardo H. S.; de L. Pontes, Daniel","A vanillin-based copper(ii) metal complex with a DNA-mediated apoptotic activity","RSC Advances","2018","8","30","16873","","10.1039/C8RA03626H","","x-ray","0.7107","MoKα","","0.1324","0.0566","","","0.1028","0.1129","","","","","","0.889","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230628","12.3537","0.0006","13.4244","0.001","13.8282","0.001","61.486","0.007","76.191","0.005","83.59","0.005","1956.9","0.3","173","1","173","1","","","","","","","","5","P -1","-P 1","2","TTF2_complex_block","TTF2_complex_block","","- C30 H16 F4 I5 S8 -","- C30 H16 F4 I5 S8 -","- C60 H32 F8 I10 S16 -","2","1","","Ma, Longfei; Peng, Haili; Lu, Xiaofeng; Liu, Lei; Shao, Xiangfeng","A weaker donor shows higher oxidation state upon aggregation","RSC Advances","2018","8","31","17321","","10.1039/C8RA02956C","","","0.71073","MoKα","","0.0855","0.0517","","","0.106","0.1288","","","","","","1.026","","","","has coordinates","207752","2020-10-21","18:00:00",""
"7230629","24.2826","0.0012","10.2755","0.0008","17.1748","0.001","90","","96.201","0.005","90","","4260.3","0.5","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TTF5 complex","TTF5 complex","","- C30 H16 F4 I7 S8 -","- C30 H16 F4 I7 S8 -","- C120 H64 F16 I28 S32 -","4","0.5","","Ma, Longfei; Peng, Haili; Lu, Xiaofeng; Liu, Lei; Shao, Xiangfeng","A weaker donor shows higher oxidation state upon aggregation","RSC Advances","2018","8","31","17321","","10.1039/C8RA02956C","","","0.71073","MoKα","","0.1314","0.0911","","","0.1612","0.1763","","","","","","1.181","","","","has coordinates,has disorder","207752","2020-10-21","18:00:00",""
"7230636","16.7852","0.0019","11.343","0.0013","15.3991","0.0018","90","","90","","90","","2931.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N6 O43 Tb4 -","- C48 H32 N6 O43 Tb4 -","- C96 H64 N12 O86 Tb8 -","2","0.25","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0304","0.0273","","","0.0717","0.0736","","","","","","1.055","","","","has coordinates","207771","2020-10-21","18:00:00",""
"7230637","11.98","0.0005","14.578","0.0006","15.2371","0.0006","90","","105.531","0.001","90","","2563.91","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N4 O13 Tb -","- C26 H17 N4 O13 Tb -","- C104 H68 N16 O52 Tb4 -","4","1","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0374","0.0266","","","0.0577","0.0605","","","","","","1.077","","","","has coordinates","207771","2020-10-21","18:00:00",""
"7230638","11.7024","0.0008","14.5744","0.0009","15.8996","0.0011","90","","105.519","0.002","90","","2612.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N4 O13 Tb -","- C26 H17 N4 O13 Tb -","- C104 H68 N16 O52 Tb4 -","4","1","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0234","0.0205","","","0.0553","0.0565","","","","","","1.031","","","","has coordinates","207771","2020-10-21","18:00:00",""
"7230639","15.308","0.003","15.9","0.003","11.58","0.002","90","","118.12","0.03","90","","2485.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N3 O13 Tb -","- C24 H15 N3 O13 Tb -","- C96 H60 N12 O52 Tb4 -","4","1","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0571","0.0382","","","0.1459","0.1622","","","","","","0.994","","","","has coordinates,has disorder","207771","2020-10-21","18:00:00",""
"7230662","8.383","0.0001","9.592","0.0001","40.137","0.0007","90","","90","","90","","3227.41","0.08","298","2","298","2","","","","","","","Ziziphus cambodiana","4","P 21 21 21","P 2ac 2ab","19","Cambodine E","","","- C37 H38 N4 O5 -","- C37 H38 N4 O5 -","- C148 H152 N16 O20 -","4","1","","Lomchoey, Natthakaln; Panseeta, Panomwan; Boonsri, Pornthip; Apiratikul, Nuttapon; Prabpai, Samran; Kongsaeree, Palangpon; Suksamrarn, Sunit","New bioactive cyclopeptide alkaloids with rare terminal unit from the root bark of Ziziphus cambodiana","RSC Advances","2018","8","33","18204","","10.1039/C7RA13050C","","x-ray","0.71073","MoKα","","0.0427","0.0369","","","0.086","0.0893","","","","","","1.0416","","","","has coordinates","207831","2020-10-21","18:00:00",""
"7230690","18.054","0.015","4.977","0.005","11.429","0.008","90","","108.13","0.04","90","","976","1.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 S4 -","- C20 H14 N2 O2 S4 -","- C40 H28 N4 O4 S8 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","0.71069","MoKα","","","0.0548","","","","0.1652","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230691","11.984","0.0003","4.79313","0.0001","18.2901","0.0004","90","","104.466","0.0011","90","","1017.29","0.04","271","","271","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 S6 -","- C20 H14 N2 S6 -","- C40 H28 N4 S12 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","1.54187","CuKα","","","0.0448","","","","0.1389","","","","","","1.114","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230692","18.891","0.007","6.409","0.003","9.138","0.004","90","","93.09","0.04","90","","1104.8","0.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S4 -","- C22 H18 N2 O2 S4 -","- C44 H36 N4 O4 S8 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","0.71069","MoKα","","","0.066","","","","0.2475","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230693","23.6666","0.0004","13.6498","0.0002","7.1729","0.0001","90","","90","","90","","2317.16","0.06","271","","271","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H18 N2 S6 -","- C22 H18 N2 S6 -","- C88 H72 N8 S24 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","1.54187","CuKα","","","0.0353","","","","0.093","","","","","","1.123","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230706","13.4074","0.0004","11.4312","0.0003","18.1544","0.0005","90","","110.539","0.003","90","","2605.53","0.14","296.8","0.1","296.8","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Cl2 P -","- C32 H23 Cl2 P -","- C128 H92 Cl8 P4 -","4","1","","Wang, Leyu; Yu, Tao; Xie, Zongliang; Ubba, Eethamukkala; Zhan, Tianya; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","Gated photochromic molecules with AIEgen: turn-on the photochromism with an oxidation reagent","RSC Advances","2018","8","33","18613","","10.1039/C8RA02828A","","","1.54184","CuKα","","0.047","0.0426","","","0.1157","0.1206","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230707","27.1771","0.0004","9.16128","0.00015","10.88636","0.00013","90","","98.5848","0.0013","90","","2680.09","0.07","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H23 Cl2 O P -","- C32 H23 Cl2 O P -","- C128 H92 Cl8 O4 P4 -","4","2","","Wang, Leyu; Yu, Tao; Xie, Zongliang; Ubba, Eethamukkala; Zhan, Tianya; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","Gated photochromic molecules with AIEgen: turn-on the photochromism with an oxidation reagent","RSC Advances","2018","8","33","18613","","10.1039/C8RA02828A","","","1.54184","CuKα","","0.0391","0.0351","","","0.0974","0.1019","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230708","7.5146","0.0002","18.6958","0.0003","30.8781","0.0005","90","","90","","90","","4338.11","0.15","121","2","121","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Cl N4 O3 -","- C23 H27 Cl N4 O3 -","- C184 H216 Cl8 N32 O24 -","8","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","1.54184","CuKα","","0.0563","0.0504","","","0.1239","0.1284","","","","","","1.139","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230709","9.1897","0.0004","11.1766","0.0006","11.9074","0.0007","114.544","0.005","92.599","0.004","112.821","0.005","993.84","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C44 H52 N4 O10 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0616","0.046","","","0.1116","0.1208","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230710","17.3674","0.0003","11.1504","0.0001","23.6192","0.0003","90","","109.303","0.002","90","","4316.81","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H45.92 Br0.08 N6 O12 S2 -","- C42 H45.9162 Br0.0838 N6 O12 S2 -","- C168 H183.665 Br0.3352 N24 O48 S8 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0877","0.0509","","","0.0985","0.1147","","","","","","1.054","","","","has coordinates,has disorder","207900","2020-10-21","18:00:00",""
"7230711","11.9809","0.0004","11.1869","0.0003","14.9549","0.0005","90","","98.115","0.003","90","","1984.32","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.1107","0.0569","","","0.1035","0.1289","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230712","8.5126","0.0019","22.934","0.016","11.454","0.004","90","","100.85","0.03","90","","2196.2","1.8","130","1","130","1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C25 H26 N4 O4 -","- C25 H26 N4 O4 -","- C100 H104 N16 O16 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.2077","0.0789","","","0.1682","0.2356","","","","","","0.935","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230713","11.0646","0.0002","25.5172","0.0004","15.8131","0.0002","90","","107.833","0.002","90","","4250.12","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 N6 O9 -","- C45 H54 N6 O9 -","- C180 H216 N24 O36 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0653","0.0462","","","0.1037","0.1141","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230714","9.1583","0.0006","10.1568","0.0008","12.0609","0.0009","101.718","0.006","100.729","0.006","100.02","0.006","1052.83","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 O4 S -","- C22 H26 N4 O4 S -","- C44 H52 N8 O8 S2 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","1.54184","CuKα","","0.0803","0.0567","","","0.1509","0.1688","","","","","","1.049","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230715","10.782","0.0002","7.2978","0.0001","24.7359","0.0004","90","","91.136","0.001","90","","1945.96","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl N2 O3 S -","- C19 H23 Cl N2 O3 S -","- C76 H92 Cl4 N8 O12 S4 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0539","0.0394","","","0.0956","0.1054","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230716","8.1025","0.0002","25.7392","0.0004","10.5439","0.0002","90","","109.355","0.002","90","","2074.67","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O6 S -","- C21 H23 N3 O6 S -","- C84 H92 N12 O24 S4 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0517","0.0383","","","0.0907","0.0997","","","","","","1.081","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230717","7.3613","0.0002","39.3723","0.0009","14.2823","0.0004","90","","98.867","0.003","90","","4089.99","0.19","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C88 H96 N12 O22 -","- C88 H96 N12 O22 -","- C176 H192 N24 O44 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0942","0.0576","","","0.1068","0.123","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230718","7.1893","0.0004","11.0732","0.0006","12.4016","0.0009","101.763","0.005","96.088","0.006","105.598","0.005","917.3","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C40 H46 Cl2 N4 O4 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C–H⋯O interactions on the conformational preferences of bis-arylsulfones – 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0693","0.0484","","","0.1101","0.125","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230719","11.53","0.03","11.81","0.03","12.99","0.03","96.31","0.03","110.35","0.03","96.93","0.04","1624","7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H64 N24 O48 V10 Zn3 -","- C12 H64 N24 O48 V10 Zn3 -","- C12 H64 N24 O48 V10 Zn3 -","1","0.5","","Cao, Jia-Peng; Shen, Feng-Cui; Luo, Xi-Ming; Cui, Chen-Hui; Lan, Ya-Qian; Xu, Yan","Proton conductivity resulting from different triazole-based ligands in two new bifunctional decavanadates","RSC Advances","2018","8","33","18560","","10.1039/C8RA02694G","","","0.71073","MoKα","","0.1542","0.0773","","","0.1561","0.178","","","","","","1.015","","","","has coordinates,has disorder","301866","2025-08-22","21:38:16",""
"7230720","10.775","0.013","12.464","0.015","13.191","0.016","117.801","0.012","94.002","0.015","103.534","0.013","1490","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H48 N24 O40 V10 Zn3 -","- C16 H48 N24 O40 V10 Zn3 -","- C16 H48 N24 O40 V10 Zn3 -","1","0.5","","Cao, Jia-Peng; Shen, Feng-Cui; Luo, Xi-Ming; Cui, Chen-Hui; Lan, Ya-Qian; Xu, Yan","Proton conductivity resulting from different triazole-based ligands in two new bifunctional decavanadates","RSC Advances","2018","8","33","18560","","10.1039/C8RA02694G","","","0.71073","MoKα","","0.069","0.0475","","","0.1273","0.1382","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230746","9.6495","0.0009","25.376","0.002","14.0175","0.0013","90","","107.672","0.003","90","","3270.4","0.5","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Yu, Chin-Yang; Lai, Yu-Chun","Synthesis, aggregation induced emission and through space conjugation of triphenylvinylphenyl substituted [2.2]paracyclophane-1,9-diene","RSC Advances","2018","8","35","19341","","10.1039/C8RA03025A","","","0.71073","MoKα","","0.1113","0.0978","","","0.3319","0.3573","","","","","","1.603","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230747","13.883","0.0016","11.6713","0.0013","7.3807","0.0008","90","","92.738","0.004","90","","1194.5","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br -","- C16 H11 Br -","- C64 H44 Br4 -","4","1","","Yu, Chin-Yang; Lai, Yu-Chun","Synthesis, aggregation induced emission and through space conjugation of triphenylvinylphenyl substituted [2.2]paracyclophane-1,9-diene","RSC Advances","2018","8","35","19341","","10.1039/C8RA03025A","","","0.71073","MoKα","","0.0585","0.0434","","","0.1018","0.111","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230748","9.3745","0.0002","11.453","0.0003","13.8901","0.0003","90","","90","","90","","1491.33","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F2 N3 O3 -","- C15 H15 F2 N3 O3 -","- C60 H60 F8 N12 O12 -","4","1","","Yu, Xuan; Bai, Hui; Wang, Dong; Qin, Zhaohai; Li, Jia-Qi; Fu, Bin","A convenient approach to difluoromethylated all-carbon quaternary centers via Ni(ii)-catalyzed enantioselective Michael addition","RSC Advances","2018","8","35","19402","","10.1039/C8RA02853B","","","1.54184","CuKα","","0.0336","0.0329","","","0.0839","0.0848","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230797","8.2375","0.0016","8.9686","0.0018","12.966","0.003","89.29","0.03","79.51","0.03","69.14","0.03","878.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C42 H40 O6 -","2","1","","Ye, Fei; Ma, Peng; Zhai, Yue; Yang, Fei; Gao, Shuang; Zhao, Li-Xia; Fu, Ying","Design, microwave-assisted synthesis, bioactivity and SAR of novel substituted 2-phenyl-2-cyclohexanedione enol ester derivatives","RSC Advances","2018","8","35","19883","","10.1039/C8RA02647E","","","0.71073","MoKα","","0.0577","0.0403","","","0.1111","0.1266","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230798","16.677","0.001","17.848","0.001","27.356","0.002","90","","93.947","0.002","90","","8123.2","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H86 Cl3 N11 O22 Zn3 -","- C81 H70 Cl3 N11 O22 Zn3 -","- C324 H280 Cl12 N44 O88 Zn12 -","4","1","","Badetti, Elena; Carmo dos Santos, Nadia Alessandra; Scaramuzzo, Francesca A.; Bravin, Carlo; Wurst, Klaus; Licini, Giulia; Zonta, Cristiano","Diasteroselective multi-component assemblies from dynamic covalent imine condensation and metal-coordination chemistry: mechanism and narcissistic stereochemistry self-sorting","RSC Advances","2018","8","35","19494","","10.1039/C8RA03989E","","","0.71073","MoKα","","0.0887","0.0555","","","0.1257","0.1408","","","","","","1.036","","","","has coordinates,has disorder","208021","2020-10-21","18:00:00",""
"7230799","10.2134","0.0001","18.2798","0.0002","19.5856","0.0003","90","","90","","90","","3656.61","0.08","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C184 H152 N24 O8 -","8","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)–H activation for a C–C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0386","0.0352","","","0.0845","0.0891","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230800","19.207","0.0005","10.1247","0.0003","19.7884","0.0005","90","","90","","90","","3848.15","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Br N3 O -","- C23 H18 Br N3 O -","- C184 H144 Br8 N24 O8 -","8","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)–H activation for a C–C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0371","0.0365","","","0.0939","0.0945","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230801","28.8295","0.0007","4.6762","0.0001","20.3019","0.0005","90","","117.376","0.0006","90","","2430.44","0.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)–H activation for a C–C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0374","0.0365","","","0.0927","0.0935","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230802","6.6642","0.0002","7.5948","0.0002","12.0893","0.0003","86.257","0.0007","87.5435","0.0007","79.1977","0.0007","599.46","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C30 H24 N4 O4 -","2","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)–H activation for a C–C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0366","0.0355","","","0.0925","0.0936","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230803","10.3326","0.0002","20.1095","0.0004","22.0811","0.0004","90","","95.5803","0.0008","90","","4566.34","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 Cl2 N6 O3 -","- C49 H42 Cl2 N6 O3 -","- C196 H168 Cl8 N24 O12 -","4","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)–H activation for a C–C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0539","0.0453","","","0.1194","0.1311","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230804","10.3635","0.0002","16.879","0.0004","15.2483","0.0003","90","","90","","90","","2667.32","0.1","120","","120","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H38 Mg N4 O2 -","- C28 H38 Mg N4 O2 -","- C112 H152 Mg4 N16 O8 -","4","0.5","","Pousaneh, Elaheh; Rüffer, Tobias; Assim, Khaybar; Dzhagan, Volodymyr; Noll, Julian; Zahn, Dietrich R. T.; Mertens, Lutz; Mehring, Michael; Schulz, Stefan E.; Lang, Heinrich","Magnesium β-ketoiminates as CVD precursors for MgO formation","RSC Advances","2018","8","35","19668","","10.1039/C8RA01851K","","","1.54184","CuKα","","0.0483","0.0448","","","0.11","0.1124","","","","","","1.08","","","","has coordinates,has disorder","208024","2020-10-21","18:00:00",""
"7230805","20.7011","0.0017","6.2155","0.0004","18.0683","0.0013","90","","90","","90","","2324.8","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","3-({3-[(3-Hydroxy-naphthalen-2-ylmethylene)-amino]-naphthalen-2-ylamino}-methylene)-3<i>H</i>-naphthalen-2-one","3-({3-[(3-Hydroxy-naphthalen-2-ylmethylene)-amino]-naphthalen-2-ylamino}-methylene)-3<i>H</i>-naphthalen-2-one","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Rahman, Mohammed M.; Sheikh, Tahir Ali; El-Shishtawy, Reda M.; Arshad, Muhammad Nadeem; Al-Zahrani, Fatimah A. M.; Asiri, Abdullah M.","Fabrication of Sb3+ sensor based on 1,1′-(-(naphthalene-2,3-diylbis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-ol)/nafion/glassy carbon electrode assembly by electrochemical approach","RSC Advances","2018","8","35","19754","","10.1039/C8RA01827H","","","0.71073","MoKα","","0.1126","0.0543","","","0.1103","0.1369","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230810","11.453","0.005","7.332","0.003","10.107","0.005","90","","90","","90","","848.7","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 Cl4 Fe N -","- C H6 Cl4 Fe N -","- C4 H24 Cl16 Fe4 N4 -","4","0.5","","Yin, Jie; Shi, Shaozhen; Wei, Jiazhen; He, Guohang; Fan, Lin; Guo, Junxue; Zhang, Kaixuan; Xu, Wenli; Yuan, Cang; Wang, Yunying; Wang, Liwen; Pu, Xipeng; Li, Wenzhi; Zhang, Dafeng; Wang, Jie; Ren, Xiaozhen; Ma, Huiyan; Shao, Xin; Zhou, Huawei","Earth-abundant and environment friendly organic‒inorganic hybrid tetrachloroferrate salt CH3NH3FeCl4: structure, adsorption properties and photoelectric behavior","RSC Advances","2018","8","36","19958","","10.1039/C8RA03498B","","","0.71073","MoKα","","0.0615","0.0393","","","0.0971","0.1092","","","","","","1.069","","","","has coordinates","208046","2020-10-21","18:00:00",""
"7230819","25.89","0.005","18.024","0.005","18.699","0.005","90","","127.821","0.005","90","","6893","3","200","2","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H76 N6 O12 Zn -","- C78 H76 N6 O12 Zn -","- C312 H304 N24 O48 Zn4 -","4","0.5","","Soury, Raoudha; Jabli, Mahjoub; Saleh, Tawfik A.; Abdul-Hassan, Wathiq Sattar; Saint-Aman, Eric; Loiseau, Frédérique; Philouze, Christian; Nasri, Habib","Tetrakis(ethyl-4(4-butyryl)oxyphenyl)porphyrinato zinc complexes with 4,4′-bpyridin: synthesis, characterization, and its catalytic degradation of Calmagite","RSC Advances","2018","8","36","20143","","10.1039/C8RA01134F","","x-ray","0.71073","MoKα","","0.113","0.0798","","","0.2129","0.2634","","","","","","1.119","","","","has coordinates,has disorder","301866","2025-08-22","21:38:16",""
"7230822","15.5941","0.0004","25.2063","0.0006","17.8185","0.0004","90","","90","","90","","7003.9","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H40 Cl2 N2 O8 -","- C39 H40 Cl2 N2 O8 -","- C312 H320 Cl16 N16 O64 -","8","1","","Ikai, Tomoyuki; Nagata, Naoya; Awata, Seiya; Wada, Yuya; Maeda, Katsuhiro; Mizuno, Motohiro; Swager, Timothy M.","Optically active distorted cyclic triptycenes: chiral stationary phases for HPLC","RSC Advances","2018","8","37","20483","","10.1039/C8RA04434A","","","1.54178","CuKα","","0.0424","0.0403","","","0.1031","0.1047","","","","","","1.06","","","","has coordinates,has disorder","208126","2020-10-21","18:00:00",""
"7230849","11.962","0.006","32.625","0.016","15.124","0.008","90","","93.619","0.008","90","","5891","5","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C96 H60 O -","- C96 H60 O1.856 -","- C192 H120 O3.712 -","2","0.5","","Mei, Peifeng; Matsumoto, Akinobu; Hayashi, Hironobu; Suzuki, Mitsuharu; Aratani, Naoki; Yamada, Hiroko","1,3-Phenylene-bridged naphthalene wheels synthesized by one-pot Suzuki‒Miyaura coupling and the complex of the hexamer with C60","RSC Advances","2018","8","37","20872","","10.1039/C8RA03601B","","","0.71073","MoKα","","0.1996","0.1193","","","0.3092","0.339","","","","","","1.109","","","","has coordinates,has disorder","208184","2020-10-21","18:00:00",""
"7230850","11.11","0.005","14.775","0.006","17.361","0.007","94.214","0.007","94.286","0.007","101.721","0.007","2771","2","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C180 H80 Cl4 -","- C180 H80 Cl4 -","- C180 H80 Cl4 -","1","0.5","","Mei, Peifeng; Matsumoto, Akinobu; Hayashi, Hironobu; Suzuki, Mitsuharu; Aratani, Naoki; Yamada, Hiroko","1,3-Phenylene-bridged naphthalene wheels synthesized by one-pot Suzuki‒Miyaura coupling and the complex of the hexamer with C60","RSC Advances","2018","8","37","20872","","10.1039/C8RA03601B","","","0.71073","MoKα","","0.15","0.0691","","","0.1522","0.2025","","","","","","1.036","","","","has coordinates,has disorder","208184","2020-10-21","18:00:00",""
"7230859","9.5173","0.0005","13.2143","0.0007","20.6062","0.001","105.758","0.004","92.806","0.004","107.008","0.005","2361.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","OxoSpiro-Chlorin","8-oxo-7-spiro((3,6-dipirydin-2-yl)-2,5-dihydro-1,2,4-triazinyl)5,10,15,20-tetraphenyl chlorin","","- C57 H39 Cl2 N9 O -","- C57 H39 Cl2 N9 O -","- C114 H78 Cl4 N18 O2 -","2","1","","Śniechowska, Justyna; Paluch, Piotr; Pawlak, Tomasz; Bujacz, Grzegorz D.; Danikiewicz, Witold; Potrzebowski, Marek J.","New synthetic pathway leading to oxospirochlorins","RSC Advances","2018","8","38","21354","","10.1039/C8RA02445F","","x-ray","1.54184","CuKα","","0.1109","0.0751","","","0.202","0.2445","","","","","","1.026","","","","has coordinates,has disorder","301866","2025-08-22","21:38:16",""
"7230860","16.6173","0.0002","11.1707","0.0001","12.4074","0.0002","90","","90","","90","","2303.15","0.05","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C104 H104 N40 -","8","1","","Lim, Felicia Phei Lin; Tan, Lin Yuing; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot, multicomponent reaction for the synthesis of novel 2-alkyl substituted 4-aminoimidazo[1,2-a][1,3,5]triazines","RSC Advances","2018","8","38","21495","","10.1039/C8RA03703E","","x-ray","1.54178","CuKα","","0.0337","0.0317","","","0.0832","0.0854","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230861","10.7534","0.0002","11.8995","0.0002","12.1124","0.0003","71.918","0.002","68.962","0.002","78.712","0.002","1368.92","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H17 N5 -","- C15 H17 N5 -","- C60 H68 N20 -","4","2","","Lim, Felicia Phei Lin; Tan, Lin Yuing; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot, multicomponent reaction for the synthesis of novel 2-alkyl substituted 4-aminoimidazo[1,2-a][1,3,5]triazines","RSC Advances","2018","8","38","21495","","10.1039/C8RA03703E","","x-ray","1.54178","CuKα","","0.0369","0.0343","","","0.0899","0.0923","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230862","24.0818","0.0008","24.0818","0.0008","13.5997","0.0009","90","","90","","90","","7886.9","0.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C38 H38 Cl Eu N4 O12 -","- C38 H30 Cl Eu N4 O12 -","- C304 H240 Cl8 Eu8 N32 O96 -","8","0.5","","Huang, Yong-Qing; Chen, Huai-Ying; Wang, Yang; Ren, Yong-He; Li, Zong-Ge; Li, Lu-Chao; Wang, Yan","A channel-structured Eu-based metal‒organic framework with a zwitterionic ligand for selectively sensing Fe3+ ions","RSC Advances","2018","8","38","21444","","10.1039/C8RA02809E","","","0.71073","MoKα","","0.0412","0.0306","","","0.0815","0.087","","","","","","1.059","","","","has coordinates","208300","2020-10-21","18:00:00",""
"7230884","10.8814","0.0006","16.0497","0.0011","19.4459","0.0013","74.097","0.004","74.566","0.003","72.105","0.003","3046.1","0.3","150","2","423","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 N4 O25 Tb2 -","- C54.02 H50.08 N4.01 O25.01 Tb2 -","- C108.04 H100.16 N8.02 O50.02 Tb4 -","2","1","","Ju, Ping; Zhang, Ensheng; Jiang, Long; Zhang, Ze; Hou, Xiangyang; Zhang, Yuqi; Yang, Hua; Wang, Jijiang","A novel microporous Tb-MOF fluorescent sensor for highly selective and sensitive detection of picric acid","RSC Advances","2018","8","39","21671","","10.1039/C8RA02602E","","","0.71073","MoKα","","0.1156","0.0655","","","0.1331","0.1597","","","","","","1.046","","","","has coordinates,has disorder","208335","2020-10-21","18:00:00",""
"7230889","7.6089","0.0018","7.2802","0.0017","18.485","0.004","90","","90","","90","","1024","0.4","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 N4 O5 Zn -","- C8 H8 N4 O5 Zn -","- C32 H32 N16 O20 Zn4 -","4","0.5","","Wang, Yan-Qin; Wang, Kun; Gao, En-Qing","Mixed metal CoII1−xZnIIx‒organic frameworks based on chains with mixed carboxylate and azide bridges: magnetic coupling and slow relaxation","RSC Advances","2018","8","39","22046","","10.1039/C8RA03273D","","","0.71073","MoKα","","0.0834","0.0438","","","0.104","0.1213","","","","","","1.015","","","","has coordinates","208384","2020-10-21","18:00:00",""
"7230890","7.611","0.015","10.47","0.02","10.55","0.02","89.45","0.03","81.87","0.03","76.75","0.03","810","3","298","","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Enhancement of dissipated energy by large bending of an organic single crystal undergoing twinning deformation","RSC Advances","2018","8","39","21933","","10.1039/C8RA02499E","","","0.71073","MoKα","","0.1034","0.0601","","","0.1588","0.1786","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230891","7.636","0.013","10.426","0.019","10.52","0.018","89.28","0.03","81.8","0.03","76.32","0.03","805","2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Enhancement of dissipated energy by large bending of an organic single crystal undergoing twinning deformation","RSC Advances","2018","8","39","21933","","10.1039/C8RA02499E","","","0.71073","MoKα","","0.1523","0.1016","","","0.3201","0.3546","","","","","","1.161","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230892","6.513","0.004","18.564","0.015","14.116","0.007","90","","92.67","0.06","90","","1704.9","1.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Steroid","","","- C40 H60 O6 -","- C40 H60 O6 -","- C80 H120 O12 -","2","1","","Farooq, Rabia; Hussain, Nusrat; Yousuf, Sammer; Atia-tul-Wahab, Atia-tul-Wahab; Ahmad, Malik Shoaib; Atta-ur-Rahman, Atta-ur-Rahman; Choudhary, M. Iqbal","Microbial transformation of mestanolone by Macrophomina phaseolina and Cunninghamella blakesleeana and anticancer activities of the transformed products","RSC Advances","2018","8","39","21985","","10.1039/C8RA01309H","","","1.54178","CuKα","","0.0799","0.0641","","","0.1595","0.1669","","","","","","1.115","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230902","9.6735","0.001","9.813","0.001","9.8262","0.0012","102.69","0.003","102.936","0.004","114.855","0.003","771.22","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C42 H30 N2 O4 -","2","1","","Jillella, Raveendra; Oh, Chang Ho","Copper-catalyzed tandem reaction of 2-alkynylanilines with benzoquinones: efficient access to 3-indolylquinones","RSC Advances","2018","8","39","22122","","10.1039/C8RA03712D","","","0.71073","MoKα","","0.0814","0.0662","","","0.1552","0.1615","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230947","23.3793","0.0003","7.2329","0.0001","19.5343","0.0003","90","","92.653","0.001","90","","3299.71","0.08","298.87","0.12","298.87","0.12","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N3 S -","- C21 H15 N3 S -","- C168 H120 N24 S8 -","8","1","","Guo, Xiaolong; Wang, Luyao; Hu, Jing; Zhang, Mengmeng","CuI nanoparticle-catalyzed synthesis of tetracyclic benzo[e]benzo[4,5]imidazo[1,2-c][1,3]thiazin-6-imine heterocycles by SNAr-type C–S, C–N bond formation from isothiocyanatobenzenes and benzimidazoles","RSC Advances","2018","8","39","22259","","10.1039/C8RA02552E","","x-ray","1.54184","CuKα","","0.05","0.0471","","","0.1295","0.1321","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:16",""
"7230948","7.661","0.0003","14.6847","0.0011","30.005","0.002","88.511","0.006","89.235","0.004","85.054","0.005","3361.6","0.4","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H100 B44 N6 Na2 O8 -","- C28 H100 B44 N6 Na2 O8 -","- C56 H200 B88 N12 Na4 O16 -","2","1","","Shen, Yunjun; Zheng, Kai; Dontha, Rakesh; Pan, Yani; Liu, Jiyong; Duttwyler, Simon","Efficient access to amides of the carborane carboxylic acid [1-(COOH)‒CB11H11]−","RSC Advances","2018","8","40","22447","","10.1039/C8RA03067G","","","0.71073","MoKα","","0.1656","0.1413","","","0.2968","0.3087","","","","","","1.146","","","","has coordinates","208528","2020-10-21","18:00:00",""
"7230949","9.1861","0.0005","11.3166","0.0006","13.6234","0.0006","71.718","0.003","83.92","0.004","72.759","0.004","1284.19","0.12","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 B11 I N2 O -","- C16 H36 B11 I N2 O -","- C32 H72 B22 I2 N4 O2 -","2","1","","Shen, Yunjun; Zheng, Kai; Dontha, Rakesh; Pan, Yani; Liu, Jiyong; Duttwyler, Simon","Efficient access to amides of the carborane carboxylic acid [1-(COOH)‒CB11H11]−","RSC Advances","2018","8","40","22447","","10.1039/C8RA03067G","","","1.34139","GaKα","","0.0901","0.0664","","","0.1701","0.1905","","","","","","1.011","","","","has coordinates","208528","2020-10-21","18:00:00",""
"7230950","8.5876","0.0001","9.0979","0.0001","14.2064","0.0001","90","","100.893","0.001","90","","1089.94","0.019","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Lim, Felicia Phei Lin; Tan, Lin Yuing; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Synthesis of 3-(5-amino-1H-1,2,4-triazol-3-yl)propanamides and their tautomerism","RSC Advances","2018","8","40","22351","","10.1039/C8RA04576C","","x-ray","1.54184","CuKα","","0.0328","0.0321","","","0.0798","0.0806","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230960","7.3141","0.0009","15.403","0.0017","10.0589","0.001","90","","107.288","0.008","90","","1082","0.2","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl N4 O3 -","- C9 H9 Cl N4 O3 -","- C36 H36 Cl4 N16 O12 -","4","1","","Kitamura, Masanori; Sasaki, Suguru; Nishikawa, Riho; Yamada, Kohei; Kunishima, Munetaka","Imido-substituted triazines as dehydrative condensing reagents for the chemoselective formation of amides in the presence of free hydroxy groups","RSC Advances","2018","8","40","22482","","10.1039/C8RA03057J","","","0.71075","MoKα","","0.0445","0.0343","","","0.0809","0.0847","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230961","10.896","0.0017","11.116","0.0018","12.346","0.002","106.385","0.003","108.807","0.003","105.418","0.003","1248.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H44 Co2 Cr Mo6 N14 O38 -","- C18 H44 Co2 Cr Mo6 N14 O38 -","- C18 H44 Co2 Cr Mo6 N14 O38 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal–organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.0607","0.039","","","0.0891","0.1011","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230962","10.881","0.0004","12.329","0.0005","12.458","0.0005","106.843","0.001","113.571","0.001","102.689","0.001","1354.64","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H44 Mo8 N14 Ni3 O42 -","- C18 H44 Mo8 N14 Ni3 O42 -","- C18 H44 Mo8 N14 Ni3 O42 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal‒organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.0307","0.0252","","","0.057","0.0594","","","","","","1.029","","","","has coordinates","208564","2020-10-21","18:00:00",""
"7230963","10.915","0.0004","12.401","0.0005","12.514","0.0005","107.495","0.001","113.374","0.001","102.098","0.001","1374.33","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H44 Co3 Mo8 N14 O42 -","- C18 H44 Co3 Mo8 N14 O42 -","- C18 H44 Co3 Mo8 N14 O42 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal‒organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.077","0.0441","","","0.0864","0.0988","","","","","","1.008","","","","has coordinates","208564","2020-10-21","18:00:00",""
"7230964","10.565","0.0007","11.42","0.0008","12.126","0.0008","94.449","0.001","114.079","0.001","95.083","0.001","1320.03","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Mo8 N14 Ni3 O40 -","- C18 H40 Mo8 N14 Ni3 O40 -","- C18 H40 Mo8 N14 Ni3 O40 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal‒organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.0248","0.0214","","","0.0512","0.0529","","","","","","1.045","","","","has coordinates,has disorder","208564","2020-10-21","18:00:00",""
"7230965","10.922","0.0006","11.063","0.0005","21.274","0.001","100.843","0.001","97.796","0.001","94.739","0.001","2485.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H40 Co3 Mo6 N14 O37 Te -","- C18 H40 Co3 Mo6 N14 O37 Te -","- C36 H80 Co6 Mo12 N28 O74 Te2 -","2","1","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal–organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.0725","0.0392","","","0.0736","0.0864","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230966","8.1334","0.0013","9.0145","0.0015","14.731","0.002","94.156","0.005","102.111","0.004","102.813","0.005","1021.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O5 S -","- C18 H20 N4 O5 S -","- C36 H40 N8 O10 S2 -","2","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.191","0.1093","","","0.3032","0.3491","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230967","8.2173","0.0008","8.3786","0.0009","14.5475","0.0015","92.588","0.004","103.511","0.003","103.084","0.003","943.49","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O4 S2 -","- C15 H16 N4 O4 S2 -","- C30 H32 N8 O8 S4 -","2","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.0927","0.0702","","","0.205","0.2222","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230968","19.0354","0.0009","9.4928","0.0004","14.2722","0.0007","90","","109.631","0.0016","90","","2429.1","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H24 N4 O5 S -","- C25 H24 N4 O5 S -","- C100 H96 N16 O20 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.058","0.0426","","","0.1011","0.1087","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230969","8.1029","0.0009","31.573","0.003","8.6015","0.0008","90","","101.122","0.003","90","","2159.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N4 O5 S -","- C19 H22 N4 O5 S -","- C76 H88 N16 O20 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1481","0.0851","","","0.1948","0.2226","","","","","","1.099","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230970","6.393","0.0004","12.563","0.0006","13.1829","0.0007","69.16","0.0015","76.3073","0.0018","84.3478","0.0017","961.28","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N4 O4 S -","- C18 H18 N4 O4 S -","- C36 H36 N8 O8 S2 -","2","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1187","0.0663","","","0.1723","0.1996","","","","","","1.021","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230971","8.4873","0.0016","34.193","0.005","8.7571","0.0016","90","","97.759","0.006","90","","2518.1","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 N4 O5 S -","- C25 H26 N4 O5 S -","- C100 H104 N16 O20 S4 -","4","2","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1409","0.0603","","","0.0953","0.116","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230972","6.0489","0.0003","11.7701","0.0006","14.2912","0.0007","106.846","0.0017","91.1007","0.0018","94.0053","0.0019","970.61","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O4 S -","- C18 H20 N4 O4 S -","- C36 H40 N8 O8 S2 -","2","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.0903","0.0545","","","0.1294","0.1447","","","","","","1.029","","","","has coordinates,has disorder","301866","2025-08-22","21:38:17",""
"7230973","17.559","","17.5588","0.0013","8.3081","0.0006","90","","90","","90","","2561.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H28 N4 O5 S -","- C26 H28 N4 O5 S -","- C104 H112 N16 O20 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1454","0.0606","","","0.0965","0.1157","","","","","","0.917","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230974","8.4154","0.0017","34.97","0.007","8.6188","0.0018","90","","100.377","0.007","90","","2494.9","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 N4 O5 S -","- C25 H26 N4 O5 S -","- C100 H104 N16 O20 S4 -","4","2","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.0749","0.0465","","","0.0912","0.1005","","","","","","1.024","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7230975","18.926","0.003","9.4145","0.0014","15.008","0.003","90","","112.887","0.005","90","","2463.6","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H24 N4 O4 S -","- C25 H24 N4 O4 S -","- C100 H96 N16 O16 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.11","0.0535","","","0.0994","0.1158","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231039","10.7372","0.0007","19.6819","0.0013","10.9938","0.0007","90","","114.163","0.002","90","","2119.7","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 P S4 -","- C21 H21 P S4 -","- C84 H84 P4 S16 -","4","1","","Davidson, Ross J.; Milan, David C.; Al-Owaedi, Oday A.; Ismael, Ali K.; Nichols, Richard J.; Higgins, Simon J.; Lambert, Colin J.; Yufit, Dmitry S.; Beeby, Andrew","Conductance of ‘bare-bones’ tripodal molecular wires","RSC Advances","2018","8","42","23585","","10.1039/C8RA01257A","","x-ray","0.71073","MoKα","","0.0431","0.0337","","","0.0809","0.0853","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231040","10.8302","0.0004","19.7686","0.0008","10.947","0.0004","90","","112.874","0.0013","90","","2159.43","0.14","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 P S3 Se -","- C21 H21 P S3 Se -","- C84 H84 P4 S12 Se4 -","4","1","","Davidson, Ross J.; Milan, David C.; Al-Owaedi, Oday A.; Ismael, Ali K.; Nichols, Richard J.; Higgins, Simon J.; Lambert, Colin J.; Yufit, Dmitry S.; Beeby, Andrew","Conductance of ‘bare-bones’ tripodal molecular wires","RSC Advances","2018","8","42","23585","","10.1039/C8RA01257A","","x-ray","0.71073","MoKα","","0.0314","0.026","","","0.0608","0.0631","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231041","10.1402","0.0005","20.3778","0.001","10.7202","0.0005","90","","114.969","0.0016","90","","2008.13","0.17","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 O P S3 -","- C21 H21 O P S3 -","- C84 H84 O4 P4 S12 -","4","1","","Davidson, Ross J.; Milan, David C.; Al-Owaedi, Oday A.; Ismael, Ali K.; Nichols, Richard J.; Higgins, Simon J.; Lambert, Colin J.; Yufit, Dmitry S.; Beeby, Andrew","Conductance of ‘bare-bones’ tripodal molecular wires","RSC Advances","2018","8","42","23585","","10.1039/C8RA01257A","","x-ray","0.71073","MoKα","","0.0483","0.0344","","","0.0755","0.0807","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231042","10.0155","0.0003","11.6906","0.0003","11.8211","0.0004","97.673","0.002","99.525","0.001","112.778","0.001","1228.49","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N6 Na O7 Pb -","- C21 H23 N6 Na O7 Pb -","- C42 H46 N12 Na2 O14 Pb2 -","2","1","","Wu, Xiren; Shen, Xin; Fan, Shuran; Trivedi, Manoj; Li, Boahong; Kumar, Abhinav; Liu, Jianqiang","The utilization of a stable 2D bilayer MOF for simultaneous study of luminescent and photocatalytic properties: experimental studies and theoretical analysis","RSC Advances","2018","8","42","23529","","10.1039/C8RA04145H","","","0.71073","MoKα","","0.0539","0.0352","","","0.0643","0.0694","","","","","","1.012","","","","has coordinates,has disorder","208713","2020-10-21","18:00:00",""
"7231053","11.9876","0.0006","11.6755","0.0004","11.8909","0.0005","90","","109.447","0.005","90","","1569.32","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dithiocianato-bis(1-methylimidazole)zinc(II)","","- C10 H12 N6 S2 Zn -","- C10 H12 N6 S2 Zn -","- C40 H48 N24 S8 Zn4 -","4","1","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0771","0.0393","","","0.0803","0.0985","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231054","8.4322","0.0003","12.5613","0.0005","13.9647","0.0005","90","","90","","90","","1479.13","0.1","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","dithiocianato-bis(2-methylimidazole)zinc(II)","","- C10 H12 N6 S2 Zn -","- C10 H12 N6 S2 Zn -","- C40 H48 N24 S8 Zn4 -","4","0.5","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0603","0.0368","","","0.0717","0.0796","","","","","","1.064","","","","has coordinates","208737","2020-10-21","18:00:00",""
"7231055","8.1914","0.0003","8.7859","0.0006","9.4685","0.0006","90.962","0.006","112.629","0.005","104.257","0.005","604.85","0.07","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","dithiocianato-tetraquis(1-methylimidazole)cadmium(II)","","- C18 H24 Cd N10 S2 -","- C18 H24 Cd N10 S2 -","- C18 H24 Cd N10 S2 -","1","0.5","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0262","0.025","","","0.0622","0.063","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231056","13.9249","0.0004","14.7811","0.0004","6.9732","0.0002","90","","90","","90","","1435.26","0.07","297","2","297","2","","","","","","","","5","C m c 21","C 2c -2","36","","bis(2-methylimidazole)di(μ-S,N-thiocyanate) cadmium(II)","","- C10 H12 Cd N6 S2 -","- C10 H12 Cd N6 S2 -","- C40 H48 Cd4 N24 S8 -","4","0.5","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0205","0.0194","","","0.0436","0.0441","","","","","","1.032","","","","has coordinates","208737","2020-10-21","18:00:00",""
"7231064","10.147","0.0009","20.9021","0.0016","11.86","0.0009","90","","109.529","0.002","90","","2370.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of dispirooxindoles via [3+2] cycloaddition of azomethine ylides to 3-phenacylideneoxindoles and evaluation of their cytotoxicity","RSC Advances","2018","8","42","23990","","10.1039/C8RA04375B","","","0.71073","MoKα","","0.0822","0.055","","","0.1555","0.1674","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231065","10.1592","0.0018","13.747","0.002","17.824","0.003","90.023","0.005","93.75","0.005","101.015","0.005","2438","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F N O8 -","- C26 H24 F N O8 -","- C104 H96 F4 N4 O32 -","4","2","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of dispirooxindoles via [3+2] cycloaddition of azomethine ylides to 3-phenacylideneoxindoles and evaluation of their cytotoxicity","RSC Advances","2018","8","42","23990","","10.1039/C8RA04375B","","","0.71073","MoKα","","0.1095","0.0596","","","0.1479","0.1735","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231066","10.557","0.003","11.363","0.003","12.92","0.003","112.497","0.007","102.659","0.007","105.65","0.007","1285.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O9 -","- C27 H27 N O9 -","- C54 H54 N2 O18 -","2","1","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of dispirooxindoles via [3+2] cycloaddition of azomethine ylides to 3-phenacylideneoxindoles and evaluation of their cytotoxicity","RSC Advances","2018","8","42","23990","","10.1039/C8RA04375B","","","0.71073","MoKα","","0.2146","0.0841","","","0.185","0.2341","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231119","6.8413","0.0003","6.8413","0.0003","18.8196","0.0012","90","","90","","90","","880.82","0.08","101.8","","101.8","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","3-Nitro-1,2,4-triazole","","- C2 H2 N4 O2 -","- C2 H2 N4 O2 -","- C16 H16 N32 O16 -","8","1","","Zhang, Pengcheng; Zhao, Xiuxiu; Du, Yao; Gozin, Michael; Li, Shenghua; Pang, Siping","Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole","RSC Advances","2018","8","43","24627","","10.1039/C8RA04116D","","","0.7107","MoKα","","0.041","0.0375","","","0.086","0.0883","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231120","8.7895","0.0006","10.0707","0.0008","9.9645","0.0005","90","","107.082","0.006","90","","843.11","0.1","101.8","","101.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitro-1,2,4-triazole","","- C2 H2 N4 O2 -","- C2 H2 N4 O2 -","- C16 H16 N32 O16 -","8","2","","Zhang, Pengcheng; Zhao, Xiuxiu; Du, Yao; Gozin, Michael; Li, Shenghua; Pang, Siping","Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole","RSC Advances","2018","8","43","24627","","10.1039/C8RA04116D","","","0.7107","MoKα","","0.0378","0.0318","","","0.0734","0.0772","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231130","10.09473","0.00011","10.11978","0.00011","16.43719","0.00017","78.2801","0.0009","76.5644","0.0009","78.9663","0.0009","1580.73","0.03","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H26 Si2 -","- C40 H26 Si2 -","- C80 H52 Si4 -","2","1","","Tokoro, Yuichiro; Ohtsuka, Nobuhiko; Fukuzawa, Shin-ichi; Oyama, Toshiyuki","Intra- and intermolecular interaction of anthracene moieties in 7,8-disilabicyclo[3.3.0]octadienyl-bridged bisanthracenes","RSC Advances","2018","8","44","25177","","10.1039/C8RA05293J","","x-ray","1.54184","CuKα","","0.0404","0.0369","","","0.1129","0.1167","","","","","","0.9496","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231131","10.3826","0.0002","11.6392","0.0002","14.3255","0.0002","98.55","0.001","97.125","0.001","107.149","0.001","1609.8","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Cl2 O Si2 -","- C41 H28 Cl2 O Si2 -","- C82 H56 Cl4 O2 Si4 -","2","1","","Tokoro, Yuichiro; Ohtsuka, Nobuhiko; Fukuzawa, Shin-ichi; Oyama, Toshiyuki","Intra- and intermolecular interaction of anthracene moieties in 7,8-disilabicyclo[3.3.0]octadienyl-bridged bisanthracenes","RSC Advances","2018","8","44","25177","","10.1039/C8RA05293J","","x-ray","1.54184","CuKα","","0.0415","0.0395","","","0.1059","0.108","","","","","","1.0346","","","","has coordinates","209025","2020-10-21","18:00:00",""
"7231132","10.0656","0.0001","11.6376","0.0001","17.0207","0.0001","81.018","0.001","82.595","0.001","71.977","0.001","1865.81","0.03","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 Si2 -","- C48 H42 Si2 -","- C96 H84 Si4 -","2","1","","Tokoro, Yuichiro; Ohtsuka, Nobuhiko; Fukuzawa, Shin-ichi; Oyama, Toshiyuki","Intra- and intermolecular interaction of anthracene moieties in 7,8-disilabicyclo[3.3.0]octadienyl-bridged bisanthracenes","RSC Advances","2018","8","44","25177","","10.1039/C8RA05293J","","x-ray","1.54184","CuKα","","0.0492","0.0449","","","0.1286","0.1325","","","","","","1.0351","","","","has coordinates,has disorder","301866","2025-08-22","21:38:17",""
"7231162","14.726","0.002","15.126","0.002","13.5397","0.0018","90","","116.871","0.006","90","","2690.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Mg3 O20 -","- C36 H22 Mg3 O20 -","- C72 H44 Mg6 O40 -","2","0.5","","Yang, Zhu-Xi; Qian, Yin; Yu, Jing-Wei; Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming","Dimensionality of luminescent coordination polymers of magnesium ions and 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylic acid modulated by structural inducing agents","RSC Advances","2018","8","45","25489","","10.1039/C8RA04875D","","","0.71073","MoKα","","0.1926","0.0883","","","0.1995","0.2344","","","","","","0.996","","","","has coordinates","209074","2020-10-21","18:00:00",""
"7231163","8.0079","0.0007","16.83","0.0015","19.043","0.0016","90","","100.254","0.002","90","","2525.5","0.4","295","2","295.38","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Mg N2 O12 -","- C24 H26 Mg N2 O12 -","- C96 H104 Mg4 N8 O48 -","4","1","","Yang, Zhu-Xi; Qian, Yin; Yu, Jing-Wei; Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming","Dimensionality of luminescent coordination polymers of magnesium ions and 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylic acid modulated by structural inducing agents","RSC Advances","2018","8","45","25489","","10.1039/C8RA04875D","","","0.71073","MoKα","","0.0953","0.0694","","","0.1722","0.1886","","","","","","1.083","","","","has coordinates,has disorder","209074","2020-10-21","18:00:00",""
"7231164","16.8934","0.0015","14.199","0.0013","12.0673","0.0011","90","","115.993","0.002","90","","2601.8","0.4","295","2","295.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mg-110","","","- C18 H16 Mg2 O13 -","- C18 H16 Mg2 O13 -","- C72 H64 Mg8 O52 -","4","0.5","","Yang, Zhu-Xi; Qian, Yin; Yu, Jing-Wei; Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming","Dimensionality of luminescent coordination polymers of magnesium ions and 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylic acid modulated by structural inducing agents","RSC Advances","2018","8","45","25489","","10.1039/C8RA04875D","","","0.71073","MoKα","","0.0857","0.0562","","","0.1408","0.1542","","","","","","1.038","","","","has coordinates","209074","2020-10-21","18:00:00",""
"7231165","11.9891","0.001","12.0802","0.001","15.8425","0.0014","92.359","0.003","109.803","0.002","108.441","0.003","2019.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H31 Fe2 O8 Ru2 S2 -","- C43 H31 Fe2 O8 Ru2 S2 -","- C86 H62 Fe4 O16 Ru4 S4 -","2","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0601","0.0435","","","0.0911","0.1041","","","","","","1.097","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231166","17.659","0.003","10.0342","0.0019","33.191","0.007","90","","101.971","0.005","90","","5753.3","1.9","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H12 Fe O11 Ru3 S -","- C27 H12 Fe O11 Ru3 S -","- C216 H96 Fe8 O88 Ru24 S8 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0301","0.0255","","","0.0497","0.0511","","","","","","1.193","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231167","9.8872","0.0005","24.2002","0.0012","15.6004","0.0008","90","","96.503","0.002","90","","3708.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Fe2 O8 Ru2 -","- C44 H28 Fe2 O8 Ru2 -","- C176 H112 Fe8 O32 Ru8 -","4","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0315","0.0245","","","0.0501","0.0529","","","","","","1.074","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231168","12.0452","0.0005","18.9355","0.0008","16.732","0.0008","90","","107.767","0.002","90","","3634.3","0.3","154","2","154","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Fe2 O8 Ru2 S2 -","- C40 H24 Fe2 O8 Ru2 S2 -","- C160 H96 Fe8 O32 Ru8 S8 -","4","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0298","0.0259","","","0.0614","0.0632","","","","","","1.097","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231169","14.508","0.004","8.676","0.003","34.637","0.01","90","","99.749","0.01","90","","4297","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5.03 H2.74 Fe0.23 O1.37 Ru0.34 S0.23 -","- C5.02857 H2.74286 Fe0.228571 O1.37143 Ru0.342857 S0.228571 -","- C176 H96 Fe8 O48 Ru12 S8 -","35","8.75","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.1147","0.1088","","","0.2718","0.275","","","","","","1.094","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231170","12.42","0.002","12.656","0.002","14.05","0.002","94.236","0.005","106.349","0.005","107.077","0.005","1996","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Fe2 O8 Ru2 -","- C44 H28 Fe2 O8 Ru2 -","- C88 H56 Fe4 O16 Ru4 -","2","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0323","0.0294","","","0.0695","0.0711","","","","","","1.108","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231171","22.884","0.0019","15.4397","0.0013","23.772","0.002","90","","90","","90","","8399.2","1.2","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H30 Cl2 Fe2 N2 O10 Ru2 -","- C45 H30 Cl2 Fe2 N2 O10 Ru2 -","- C360 H240 Cl16 Fe16 N16 O80 Ru16 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0319","0.0248","","","0.0553","0.0594","","","","","","1.064","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231172","13.995","0.004","11.729","0.004","34.893","0.012","90","","90","","90","","5728","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H15 Fe N O11 Ru3 -","- C29 H15 Fe N O11 Ru3 -","- C232 H120 Fe8 N8 O88 Ru24 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.039","0.027","","","0.0592","0.0651","","","","","","0.888","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231173","29.747","0.009","19.893","0.006","15.727","0.006","90","","114.924","0.012","90","","8440","5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Fe2 N2 O8 Ru2 -","- C44 H30 Fe2 N2 O8 Ru2 -","- C352 H240 Fe16 N16 O64 Ru16 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.072","0.0533","","","0.1256","0.1396","","","","","","1.072","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231185","14.1118","0.0005","14.5427","0.0005","15.5885","0.0005","90","","90","","90","","3199.13","0.19","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-31","","- C32 H40 O5 -","- C32 H40 O5 -","- C128 H160 O20 -","4","1","","Xie, Yang-Guo; Zhang, Weiyue; Zhu, Sheng-lan; Cheng, Tao-fang; Wu, Guo-jing; Muhammad, Ishaq; Yan, Shi-kai; Zhang, Yan; Jin, Hui-zi; Zhang, Wei-dong","Xyloplains A–F, six new guaiane-type sesquiterpenoid dimers from Xylopia vielana","RSC Advances","2018","8","45","25719","","10.1039/C8RA04356F","","","1.54178","CuKα","","0.0976","0.0959","","","0.2701","0.2729","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231186","7.3802","0.0002","14.7759","0.0005","23.5281","0.0007","90","","90","","90","","2565.72","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-2","","- C30 H36 O4 -","- C30 H36 O4 -","- C120 H144 O16 -","4","1","","Xie, Yang-Guo; Zhang, Weiyue; Zhu, Sheng-lan; Cheng, Tao-fang; Wu, Guo-jing; Muhammad, Ishaq; Yan, Shi-kai; Zhang, Yan; Jin, Hui-zi; Zhang, Wei-dong","Xyloplains A–F, six new guaiane-type sesquiterpenoid dimers from Xylopia vielana","RSC Advances","2018","8","45","25719","","10.1039/C8RA04356F","","","1.54178","CuKα","","0.0438","0.0416","","","0.129","0.1348","","","","","","0.66","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231187","15.517","0.0011","11.9307","0.0007","18.3226","0.0015","90","","111.801","0.009","90","","3149.4","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 N3 P2 -","- C38 H29 N3 P2 -","- C152 H116 N12 P8 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0785","0.0555","","","0.1341","0.1586","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231188","14.1841","0.0003","11.2966","0.0002","25.2699","0.0006","90","","97.008","0.002","90","","4018.8","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 Cl3 Mo N3 O4 P2 -","- C43 H30 Cl3 Mo N3 O4 P2 -","- C172 H120 Cl12 Mo4 N12 O16 P8 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0543","0.0472","","","0.1132","0.1198","","","","","","1.033","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231189","12.5915","0.0003","20.0214","0.0006","15.3286","0.0004","90","","92.147","0.002","90","","3861.62","0.18","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H29 Au Cl N3 O4 P2 W -","- C42 H29 Au Cl N3 O4 P2 W -","- C168 H116 Au4 Cl4 N12 O16 P8 W4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0398","0.0323","","","0.0739","0.0781","","","","","","1.034","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231190","14.1865","0.0003","11.2881","0.0003","25.1974","0.0009","90","","97.169","0.002","90","","4003.5","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 Cl3 N3 O4 P2 W -","- C43 H30 Cl3 N3 O4 P2 W -","- C172 H120 Cl12 N12 O16 P8 W4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0453","0.0379","","","0.0889","0.095","","","","","","1.04","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231191","13.351","0.0004","11.0729","0.0002","25.9296","0.0006","90","","95.69","0.002","90","","3814.4","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 Cl5 N3 P2 Pd -","- C39 H30 Cl5 N3 P2 Pd -","- C156 H120 Cl20 N12 P8 Pd4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0545","0.0406","","","0.0765","0.0835","","","","","","1.053","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231192","12.615","0.0006","13.342","0.0009","14.0151","0.0008","71.437","0.005","69.756","0.005","65.94","0.005","1977.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 N3 O4 P2 W -","- C42 H29 N3 O4 P2 W -","- C84 H58 N6 O8 P4 W2 -","2","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.041","0.0336","","","0.0825","0.0861","","","","","","1.054","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231193","10.2544","0.0003","12.3816","0.0004","28.9853","0.0011","90","","90","","90","","3680.1","0.2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H30 Cl5 N3 P2 Pt -","- C39 H30 Cl5 N3 P2 Pt -","- C156 H120 Cl20 N12 P8 Pt4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0613","0.0562","","","0.1305","0.134","","","","","","1.109","","","","has coordinates,has disorder","209125","2020-10-21","18:00:00",""
"7231194","13.7636","0.0003","14.7629","0.0004","22.1839","0.0005","76.1417","0.0019","85.9054","0.0018","85.3961","0.0019","4355.89","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H69 Cl5 N6 P4 Ru2 -","- C87 H69 Cl5 N6 P4 Ru2 -","- C174 H138 Cl10 N12 P8 Ru4 -","2","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0785","0.0582","","","0.1362","0.1493","","","","","","1.054","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231195","12.7908","0.0007","15.2107","0.001","15.2959","0.001","114.525","0.006","103.851","0.005","102.567","0.005","2453.7","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H43 Cl2 N3 P2 Ru -","- C48 H43 Cl2 N3 P2 Ru -","- C96 H86 Cl4 N6 P4 Ru2 -","2","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.1201","0.084","","","0.2048","0.2392","","","","","","1.037","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7231196","12.7791","0.0005","14.3916","0.0006","20.6657","0.0008","90","","95.247","0.004","90","","3784.7","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 Au2 Cl5 N3 P2 -","- C39 H30 Au2 Cl5 N3 P2 -","- C156 H120 Au8 Cl20 N12 P8 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0337","0.0269","","","0.061","0.065","","","","","","1.025","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231209","11.5429","0.0007","14.3317","0.0008","16.9947","0.001","90","","109.552","0.002","90","","2649.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'2,6-Di-tretbutyl-4-[1-oxi-(4-(biphenyl-4-yl)-5,5-dimethyl-1H-imidazol -2(5H)-yliden]cyclohexa-2,5-dienone'","","- C31 H35 N2 O2 -","- C31 H35 N2 O2 -","- C124 H140 N8 O8 -","4","1","","Ten, Yury A.; Salnikov, Oleg G.; Amitina, Svetlana A.; Stass, Dmitri V.; Rybalova, Tatyana V.; Kazantsev, Maxim S.; Bogomyakov, Artem S.; Mostovich, Evgeny A.; Mazhukin, Dmitrii G.","The Suzuki‒Miyaura reaction as a tool for modification of phenoxyl-nitroxyl radicals of the 4H-imidazole N-oxide series","RSC Advances","2018","8","46","26099","","10.1039/C8RA05103H","","","0.71073","MoKα","","0.1501","0.0954","","","0.2911","0.3367","","","","","","1.308","","","","has coordinates","209159","2020-10-21","18:00:00",""
"7231218","7.098","0.0011","9.8","0.0016","11.2043","0.0017","66.923","0.002","73.598","0.002","84.72","0.003","687.68","0.19","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","[(phenyl-1,3,5-tricarboxylate)tetraaquasodium(I)zinc(II)] sesquihydrate","","- C9 H14 Na O11.5 Zn -","- C9 H14 Na O11.5 Zn -","- C18 H28 Na2 O23 Zn2 -","2","1","","Ye, Ranfeng; Ni, Min; Xu, Yuanyuan; Chen, Hao; Li, Shengqing","Synthesis of Zn-based metal‒organic frameworks in ionic liquid microemulsions at room temperature","RSC Advances","2018","8","46","26237","","10.1039/C8RA04573A","","","0.71073","MoKα","","0.1089","0.0512","","","0.0923","0.113","","","","","","0.967","","","","has coordinates,has disorder","209214","2020-10-21","18:00:00",""
"7231219","8.7905","0.0017","12.014","0.002","16.205","0.003","84.36","0.003","85.808","0.003","88.853","0.003","1698.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 B F10 O P -","- C38 H30 B F10 O P -","- C76 H60 B2 F20 O2 P2 -","2","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.0891","0.0576","","","0.1764","0.2174","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231220","18.51","0.02","9.944","0.011","17.597","0.019","90","","95.165","0.014","90","","3226","6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 B F10 N O P -","- C35 H27 B F10 N O P -","- C140 H108 B4 F40 N4 O4 P4 -","4","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.0721","0.0447","","","0.1025","0.1117","","","","","","0.91","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231221","12.078","0.005","8.875","0.004","29.647","0.012","90","","90.449","0.005","90","","3178","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 B F10 O P -","- C35 H30 B F10 O P -","- C140 H120 B4 F40 O4 P4 -","4","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.0687","0.0444","","","0.106","0.1151","","","","","","0.936","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231222","13.951","0.002","15.282","0.002","16.319","0.002","82.719","0.002","79.714","0.002","89.784","0.002","3395","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 B2 F20 O2 P2 -","- C76 H56 B2 F20 O2 P2 -","- C152 H112 B4 F40 O4 P4 -","2","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.1414","0.0738","","","0.1927","0.2396","","","","","","1.162","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231223","9.7242","0.0003","22.4308","0.0007","13.8977","0.0004","90","","108.5","0.001","90","","2874.74","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 B F10 O P -","- C30 H24 B F10 O P -","- C120 H96 B4 F40 O4 P4 -","4","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","1.34138","GaKα","","0.053","0.0458","","","0.1196","0.1249","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231224","10.5258","0.0005","20.8548","0.001","13.077","0.0006","90","","109.292","0.002","90","","2709.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B F10 O P -","- C30 H22 B F10 O P -","- C120 H88 B4 F40 O4 P4 -","4","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","1.34138","GaKα","","0.0927","0.0747","","","0.1942","0.212","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231225","11.8184","0.0016","11.8406","0.0017","15.532","0.002","70.423","0.002","79.484","0.002","67.364","0.002","1886.5","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H37 B F10 O3 P -","- C41 H37 B F10 O3 P -","- C82 H74 B2 F20 O6 P2 -","2","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.0745","0.0568","","","0.1867","0.2334","","","","","","1.119","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231230","17.7431","0.0006","15.6583","0.0006","26.3446","0.0008","90","","95.567","0.003","90","","7284.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Ag2 F12 N8 O4 P2 -","- C66 H64 Ag2 F12 N8 O4 P2 -","- C264 H256 Ag8 F48 N32 O16 P8 -","4","1","","Chiu, Chien-Cheng; Chiu, Hui-Tzu; Lee, Dong-Sheng; Lu, Ta-Jung","An efficient class of bis-NHC salts: applications in Pd-catalyzed reactions under mild reaction conditions","RSC Advances","2018","8","46","26407","","10.1039/C8RA04094J","","x-ray","0.71073","MoKα","","0.11","0.0733","","","0.178","0.2013","","","","","","1.014","","","","has coordinates,has disorder","209230","2020-10-21","18:00:00",""
"7231231","12.6608","0.001","17.192","0.0014","18.8963","0.0015","87.943","0.003","84.738","0.003","76.841","0.003","3987.7","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H68 Cl7 F6 N8 O4 P Pd2 -","- C68 H68 Cl7 F6 N8 O4 P Pd2 -","- C136 H136 Cl14 F12 N16 O8 P2 Pd4 -","2","1","","Chiu, Chien-Cheng; Chiu, Hui-Tzu; Lee, Dong-Sheng; Lu, Ta-Jung","An efficient class of bis-NHC salts: applications in Pd-catalyzed reactions under mild reaction conditions","RSC Advances","2018","8","46","26407","","10.1039/C8RA04094J","","x-ray","0.71073","MoKα","","0.1375","0.1096","","","0.283","0.3036","","","","","","1.067","","","","has coordinates,has disorder","209230","2020-10-21","18:00:00",""
"7231270","10.7786","0.0004","15.484","0.0005","18.0102","0.0006","109.584","0.0014","97.1583","0.0015","103.258","0.0018","2689.1","0.17","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H106 O14 Si10 -","- C120 H106 O14 Si10 -","- C120 H106 O14 Si10 -","1","0.5","","Moore, Levi M. J.; Zavala, Jacob J.; Lamb, Jason T.; Reams, Josiah T.; Yandek, Gregory R.; Guenthner, Andrew J.; Haddad, Timothy S.; Ghiassi, Kamran B.","Bis-phenylethynyl polyhedral oligomeric silsesquioxanes: new high-temperature, processable thermosetting materials","RSC Advances","2018","8","48","27400","","10.1039/C8RA05954C","","","1.54178","CuKα","","0.0389","0.0351","","","0.092","0.0951","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231271","13.9131","0.0002","14.5885","0.0003","23.0779","0.0004","97.0446","0.001","102.95","0.0009","111.091","0.0008","4151.42","0.13","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H76 O14 Si10 -","- C90 H76 O14 Si10 -","- C180 H152 O28 Si20 -","2","1","","Moore, Levi M. J.; Zavala, Jacob J.; Lamb, Jason T.; Reams, Josiah T.; Yandek, Gregory R.; Guenthner, Andrew J.; Haddad, Timothy S.; Ghiassi, Kamran B.","Bis-phenylethynyl polyhedral oligomeric silsesquioxanes: new high-temperature, processable thermosetting materials","RSC Advances","2018","8","48","27400","","10.1039/C8RA05954C","","","1.54178","CuKα","","0.042","0.0371","","","0.0986","0.1022","","","","","","1.023","","","","has coordinates,has disorder","301866","2025-08-22","21:38:17",""
"7231281","5.8641","0.0004","9.4679","0.0006","11.6419","0.0007","90","","94.465","0.006","90","","644.4","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Shi, Ting; Hou, Xue-Mei; Li, Zhi-Yong; Cao, Fei; Zhang, Ya-Hui; Yu, Jia-Yin; Zhao, Dong-Lin; Shao, Chang-Lun; Wang, Chang-Yun","Harzianumnones A and B: two hydroxyanthraquinones from the coral-derived fungus Trichoderma harzianum","RSC Advances","2018","8","49","27596","","10.1039/C8RA04865G","","","1.54184","CuKα","","0.0516","0.0424","","","0.0997","0.1107","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231301","10.2719","0.0002","16.6231","0.0003","19.0321","0.0004","90","","98.982","0.001","90","","3209.9","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H42 N2 O14 Zn2 -","- C47 H42 N2 O14 Zn2 -","- C94 H84 N4 O28 Zn4 -","2","1","","Tanaka, Koichi; Kinoshita, Maya; Kayahara, Jun; Uebayashi, Yutaro; Nakaji, Kazusada; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","Asymmetric ring-opening reaction of meso-epoxides with aromatic amines using homochiral metal‒organic frameworks as recyclable heterogeneous catalysts","RSC Advances","2018","8","49","28139","","10.1039/C8RA05163A","","","1.54178","CuKα","","0.0725","0.0664","","","0.1725","0.1811","","","","","","1.08","","","","has coordinates,has disorder","209412","2020-10-21","18:00:00",""
"7231302","9.906","0.003","20.872","0.005","10.617","0.003","90","","102.655","0.003","90","","2141.8","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O3 S -","- C21 H29 N O3 S -","- C84 H116 N4 O12 S4 -","4","1","","Saavedra-Olavarría, Jorge; Madrid-Rojas, Matías; Almodovar, Iriux; Hermosilla-Ibáñez, Patricio; Pérez, Edwin G.","Synthesis of β-alkoxy-N-protected phenethylamines via one-pot copper-catalyzed aziridination and ring opening","RSC Advances","2018","8","49","27919","","10.1039/C8RA03815E","","","0.71073","MoKα","","0.0927","0.064","","","0.1846","0.2161","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231320","7.9648","0.0003","7.9932","0.0003","31.0201","0.0011","90","","96.409","0.002","90","","1962.53","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Co N10 O2 -","- C18 H21 Co N10 O2 -","- C72 H84 Co4 N40 O8 -","4","1","","Ghosh, Kousik; Banerjee, Abhisek; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities","RSC Advances","2018","8","49","28216","","10.1039/C8RA03035A","","","0.71073","MoKα","","0.0607","0.0547","","","0.1194","0.1219","","","","","","1.185","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231321","16.1282","0.0004","7.7871","0.0002","18.6891","0.0005","90","","104.133","0.001","90","","2276.15","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Co N10 O2 -","- C20 H25 Co N10 O2 -","- C80 H100 Co4 N40 O8 -","4","1","","Ghosh, Kousik; Banerjee, Abhisek; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities","RSC Advances","2018","8","49","28216","","10.1039/C8RA03035A","","","0.71073","MoKα","","0.0325","0.0271","","","0.0714","0.0745","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231322","21.884","0.0007","9.4228","0.0003","27.0076","0.0011","90","","113.472","0.002","90","","5108.4","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H42 N6 -","- C23 H42 N6 -","- C184 H336 N48 -","8","1","","Curnow, Owen J.; Polson, Matthew I. J.; Walst, Kelvin J.; Yunis, Ruhamah","Synthesis and physical properties of tris(dialkylamino)cyclopropenium dicyanamide ionic liquids","RSC Advances","2018","8","50","28313","","10.1039/C8RA05558K","","","0.71073","MoKα","","0.0744","0.0444","","","0.1369","0.1665","","","","","","1.16","","","","has coordinates,has disorder","301866","2025-08-22","21:38:17",""
"7231323","23.212","0.0004","9.0056","0.0001","13.5409","0.0002","90","","104.386","0.002","90","","2741.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 N6 O -","- C11 H20 N6 O -","- C88 H160 N48 O8 -","8","1","","Curnow, Owen J.; Polson, Matthew I. J.; Walst, Kelvin J.; Yunis, Ruhamah","Synthesis and physical properties of tris(dialkylamino)cyclopropenium dicyanamide ionic liquids","RSC Advances","2018","8","50","28313","","10.1039/C8RA05558K","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.1079","0.1103","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:17",""
"7231351","13.4441","0.0009","13.8945","0.0009","15.6741","0.001","67.977","0.004","69.106","0.004","86.313","0.004","2527.6","0.3","147","2","147","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H41 B Cl4 F2 N2 O2 -","- C59 H41 B Cl4 F2 N2 O2 -","- C118 H82 B2 Cl8 F4 N4 O4 -","2","1","","Yousaf, Muhammad; Zarate, Ximena; Schott, Eduardo; Lough, Alan J.; Koivisto, Bryan D.","Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications","RSC Advances","2018","8","50","28533","","10.1039/C8RA03384F","","","1.54178","CuKα","","0.075","0.0538","","","0.1432","0.1578","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231352","10.832","0.0005","13.6752","0.0005","18.0475","0.0007","77.65","0.002","74.953","0.002","73.617","0.002","2448.18","0.18","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H37 B F2 N2 O2 -","- C57 H37 B F2 N2 O2 -","- C114 H74 B2 F4 N4 O4 -","2","1","","Yousaf, Muhammad; Zarate, Ximena; Schott, Eduardo; Lough, Alan J.; Koivisto, Bryan D.","Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications","RSC Advances","2018","8","50","28533","","10.1039/C8RA03384F","","","1.54178","CuKα","","0.0687","0.0474","","","0.1177","0.1298","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231365","10.0029","0.0012","10.0029","0.0012","13.0457","0.0016","90","","90","","120","","1130.4","0.2","120","2","120","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","beta-sodium uranium(IV) pentafluoride","beta-sodium pentafluorouranate","","- F5 Na U -","- F15 Na2.9999 U3 -","- F60 Na11.9996 U12 -","4","0.333333","","Chemey, Alexander T.; Sperling, Joseph M.; Albrecht-Schmitt, Thomas E.","Expanding pentafluorouranates: hydrothermal synthesis and characterization of β-NaUF5 and β-NaUF5·H2O","RSC Advances","2018","8","50","28642","","10.1039/C8RA05780J","","","0.71073","MoKα","","0.0215","0.02","","","0.0378","0.0382","","","","","","1.353","","","","has coordinates","209663","2020-10-21","18:00:00",""
"7231366","7.957","0.003","7.027","0.002","8.792","0.003","90","","108.678","0.007","90","","465.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta-sodium uranium(IV) pentafluoride hydrate","beta-sodium pentafluorouranate monohydrate","","- F5 H2 Na O U -","- F5 H2 Na O U -","- F20 H8 Na4 O4 U4 -","4","1","","Chemey, Alexander T.; Sperling, Joseph M.; Albrecht-Schmitt, Thomas E.","Expanding pentafluorouranates: hydrothermal synthesis and characterization of β-NaUF5 and β-NaUF5·H2O","RSC Advances","2018","8","50","28642","","10.1039/C8RA05780J","","","0.71073","MoKα","","0.0416","0.036","","","0.1016","0.1046","","","","","","1.068","","","","has coordinates","209663","2020-10-21","18:00:00",""
"7231367","10.3713","0.0008","12.4965","0.0009","11.9806","0.0009","90","","94.277","0.008","90","","1548.4","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 Cl2 N2 O2 Zn -","- C10 H20 Cl2 N2 O2 Zn -","- C40 H80 Cl8 N8 O8 Zn4 -","4","1","","Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek","Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods","RSC Advances","2018","8","50","28810","","10.1039/C8RA04578J","","","0.71075","MoKα","","0.0971","0.0518","","","0.1247","0.1395","","","","","","0.841","","","","has coordinates,has disorder","209664","2020-10-21","18:00:00",""
"7231368","6.63584","0.00015","11.8221","0.0003","34.9929","0.0008","90","","90","","90","","2745.18","0.11","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Cl2 Cu N2 O2 -","- C10 H22 Cl2 Cu N2 O2 -","- C80 H176 Cl16 Cu8 N16 O16 -","8","1","","Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek","Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods","RSC Advances","2018","8","50","28810","","10.1039/C8RA04578J","","","0.71075","MoKα","","0.0792","0.072","","","0.1792","0.1818","","","","","","1.268","","","","has coordinates","209664","2020-10-21","18:00:00",""
"7231369","6.68836","0.00015","12.3506","0.0003","35.1567","0.0008","90","","90","","90","","2904.13","0.12","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Br2 Cu N2 O2 -","- C10 H22 Br2 Cu N2 O2 -","- C80 H176 Br16 Cu8 N16 O16 -","8","1","","Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek","Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods","RSC Advances","2018","8","50","28810","","10.1039/C8RA04578J","","","0.71075","MoKα","","0.0236","0.0206","","","0.0532","0.0541","","","","","","1.06","","","","has coordinates","209664","2020-10-21","18:00:00",""
"7231374","13.114","0.002","22.015","0.004","9.2346","0.0016","90","","105.66","0.005","90","","2567.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl N2 O3 -","- C31 H25 Cl N2 O3 -","- C124 H100 Cl4 N8 O12 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1589","0.0652","","","0.141","0.1742","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231375","7.9309","0.0008","8.1886","0.0008","18.5826","0.0019","96.559","0.003","100.627","0.004","98.478","0.003","1160.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C54 H56 N4 O6 -","2","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1012","0.0591","","","0.1385","0.156","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:18",""
"7231376","8.5245","0.0008","9.0785","0.0009","25.005","0.003","90","","90","","90","","1935.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1346","0.0565","","","0.1107","0.1328","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231377","15.3274","0.0014","10.9875","0.001","15.7022","0.0014","90","","106.769","0.003","90","","2532","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Br N2 O4 -","- C31 H25 Br N2 O4 -","- C124 H100 Br4 N8 O16 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.097","0.0437","","","0.0842","0.0979","","","","","","1.011","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231378","15.2082","0.001","10.9099","0.0006","15.7373","0.0011","90","","106.78","0.002","90","","2500","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl N2 O4 -","- C31 H25 Cl N2 O4 -","- C124 H100 Cl4 N8 O16 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1411","0.0554","","","0.1033","0.1257","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231379","14.2605","0.0005","13.5158","0.0005","14.5519","0.0005","90","","115.111","0.0009","90","","2539.68","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Br Cl N2 O4 -","- C30 H22 Br Cl N2 O4 -","- C120 H88 Br4 Cl4 N8 O16 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.0886","0.0476","","","0.1261","0.1499","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231380","29.349","0.002","11.9764","0.0009","11.579","0.0009","90","","90","","90","","4070","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H23 Cl N2 O5 -","- C20 H23 Cl N2 O5 -","- C160 H184 Cl8 N16 O40 -","8","1","","Zhong, Yuan; Hong, Sihua; Cai, Zhengjun; Ma, Shixiong; Jiang, Xianxing","Direct β-selectivity of α,β-unsaturated γ-butyrolactam for asymmetric conjugate additions in an organocatalytic manner","RSC Advances","2018","8","51","28874","","10.1039/C8RA05264F","","","0.71073","MoKα","","0.0673","0.063","","","0.1718","0.1755","","","","","","1.119","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231383","13.9928","0.0003","15.6007","0.0003","9.13185","0.00019","90","","102.292","0.002","90","","1947.76","0.07","150","0.02","150","0.02","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Fe O3 S6 -","- C12 H21 Fe O3 S6 -","- C48 H84 Fe4 O12 S24 -","4","1","","Almanqur, Laila; Vitorica-yrezabal, Inigo; Whitehead, George; Lewis, David J.; O'Brien, Paul","Synthesis of nanostructured powders and thin films of iron sulfide from molecular precursors","RSC Advances","2018","8","51","29096","","10.1039/C8RA04917C","","x-ray","0.71073","MoKα","","0.0194","0.0177","","","0.0439","0.0446","","","","","","1.035","","","","has coordinates","209774","2020-10-21","18:00:00",""
"7231384","9.8787","0.0002","9.6899","0.0002","21.8298","0.0005","90","","101.469","0.002","90","","2047.9","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 Fe O3 S6 -","- C12 H21 Fe O3 S6 -","- C48 H84 Fe4 O12 S24 -","4","1","","Almanqur, Laila; Vitorica-yrezabal, Inigo; Whitehead, George; Lewis, David J.; O'Brien, Paul","Synthesis of nanostructured powders and thin films of iron sulfide from molecular precursors","RSC Advances","2018","8","51","29096","","10.1039/C8RA04917C","","x-ray","0.71073","MoKα","","0.0288","0.0231","","","0.0517","0.0537","","","","","","1.029","","","","has coordinates","209774","2020-10-21","18:00:00",""
"7231392","10.742","0.0016","12.7566","0.0017","16.96","0.002","85.703","0.011","80.218","0.012","66.118","0.013","2094.1","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 Dy F9 N2 O9 -","- C45 H32 Dy F9 N2 O9 -","- C90 H64 Dy2 F18 N4 O18 -","2","1","","Zhang, Sheng; Mo, Wenjiao; Zhang, Jiangwei; Wu, Haipeng; Li, Min; Lü, Xingqiang; Yin, Bing; Yang, Desuo","Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (–Cl/–OCH3)","RSC Advances","2018","8","52","29513","","10.1039/C8RA06240D","","","1.54184","CuKα","","0.0961","0.0635","","","0.1479","0.1863","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231393","11.5704","0.0011","12.1367","0.0011","15.4949","0.0013","98.652","0.007","100.231","0.008","102.305","0.008","2051.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H23 Cl3 Dy F9 N2 O6 -","- C42 H23 Cl3 Dy F9 N2 O6 -","- C84 H46 Cl6 Dy2 F18 N4 O12 -","2","1","","Zhang, Sheng; Mo, Wenjiao; Zhang, Jiangwei; Wu, Haipeng; Li, Min; Lü, Xingqiang; Yin, Bing; Yang, Desuo","Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (‒Cl/‒OCH3)","RSC Advances","2018","8","52","29513","","10.1039/C8RA06240D","","x-ray","1.54184","CuKα","","0.1255","0.0639","","","0.0855","0.1123","","","","","","1.008","","","","has coordinates,has disorder","210015","2020-10-21","18:00:00",""
"7231394","7.3902","0.0004","8.3748","0.0005","43.293","0.003","90","","90","","90","","2679.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 O8 -","- C31 H34 O8 -","- C124 H136 O32 -","4","1","","Luo, Dong-Dong; Peng, Kai; Yang, Jia-Yu; Piyachaturawat, Pawinee; Saengsawang, Witchuda; Ao, Lei; Zhao, Wan-Zhou; Tang, Yu; Wan, Sheng-Biao","Structural modification of oridonin via DAST induced rearrangement","RSC Advances","2018","8","52","29548","","10.1039/C8RA05728A","","","1.54184","CuKα","","0.0564","0.0506","","","0.1164","0.1218","","","","","","1.159","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231433","5.6186","0.0002","28.314","0.0012","9.5145","0.0004","90","","92.382","0.003","90","","1512.31","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C68 H72 O16 S4 -","4","1","","Elagawany, Mohamed; Hegazy, Lamees; Cao, Feng; Donlin, Maureen J.; Rath, Nigam; Tavis, John; Elgendy, Bahaa","Identification of 4-isopropyl–thiotropolone as a novel anti-microbial: regioselective synthesis, NMR characterization, and biological evaluation","RSC Advances","2018","8","52","29967","","10.1039/C8RA06297H","","","0.71073","MoKα","","0.0584","0.0412","","","0.0966","0.1051","","","","","","1.039","","","","has coordinates,has disorder","301866","2025-08-22","21:38:18",""
"7231434","9.5307","0.0004","9.5307","0.0004","12.9688","0.0007","90","","90","","120","","1020.19","0.08","130","2","130","2","","","","","","","","4","P 32","P 32","145","","","","- C17 H19 N0 O2 -","- C17 H19 O2 -","- C51 H57 O6 -","3","1","","Jiang, Qian; Zhang, Mingguang; Wang, Zhonglong; Song, Jie; Yang, Yiqin; Li, Wenchao; Gu, Wen; Xu, Xu; Xu, Haijun; Wang, Shifa","Nopinone-based aggregation-induced emission (AIE)-active difluoroboron β-diketonate complex: photophysical, electrochemical and electroluminescence properties","RSC Advances","2018","8","52","30055","","10.1039/C8RA05031G","","","0.71073","MoKα","","0.0886","0.0696","","","0.1416","0.1517","","","","","","1.03","","","","has coordinates","210127","2020-10-21","18:00:00",""
"7231435","10.8707","0.0006","12.3194","0.0007","13.1341","0.0008","87.958","0.005","74.654","0.005","70.533","0.005","1596.57","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 F3 N O5 -","- C34 H28 F3 N O5 -","- C68 H56 F6 N2 O10 -","2","1","","Dang, Xinxin; He, Yu; Liu, Yingtian; Chen, Xuehong; Li, Jun-Long; Zhou, Xian-Li; Jiang, Hezhong; Li, Jiahong","Rh(iii)-catalyzed synthesis of tetracyclic isoquinolinium salts via C‒H activation and [4+2] annulation of 1-phenyl-3,4-dihydroisoquinolines and alkynes in ethanol","RSC Advances","2018","8","52","30050","","10.1039/C8RA05443F","","","0.71073","MoKα","","0.0952","0.0619","","","0.187","0.2164","","","","","","1.119","","","","has coordinates,has disorder","210128","2020-10-21","18:00:00",""
"7231452","10.143","0.004","9.497","0.003","19.05","0.007","90","","99.453","0.011","90","","1810.1","1.1","304","2","304","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F2 N O -","- C21 H17 F2 N O -","- C84 H68 F8 N4 O4 -","4","1","","Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng","Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes","RSC Advances","2018","8","53","30374","","10.1039/C8RA06780E","","","0.71073","MoKα","","0.1079","0.0615","","","0.1708","0.1998","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231453","13.5024","0.0011","9.0647","0.0008","22.691","0.002","90","","97.115","0.002","90","","2755.9","0.4","304","2","304","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl N O -","- C34 H28 Cl N O -","- C136 H112 Cl4 N4 O4 -","4","1","","Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng","Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes","RSC Advances","2018","8","53","30374","","10.1039/C8RA06780E","","","0.71073","MoKα","","0.0693","0.0439","","","0.1254","0.1448","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231454","9.5843","0.0005","10.5582","0.0005","19.241","0.0009","77.833","0.001","83.469","0.001","66.8","0.001","1748.38","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C84 H72 Br4 N4 O4 -","4","2","","Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng","Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes","RSC Advances","2018","8","53","30374","","10.1039/C8RA06780E","","","0.71073","MoKα","","0.0544","0.0351","","","0.0925","0.1003","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231455","11.3526","0.0006","38.9014","0.0018","13.5468","0.0007","90","","114.621","0.002","90","","5438.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C252 H216 Br12 N12 O12 -","12","3","","Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng","Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes","RSC Advances","2018","8","53","30374","","10.1039/C8RA06780E","","","0.71073","MoKα","","0.0489","0.0357","","","0.077","0.0809","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:18",""
"7231494","16.4048","0.0013","6.0674","0.0005","8.349","0.0007","90","","91.077","0.007","90","","830.87","0.12","130","1","130","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","1.54184","CuKα","","0.0367","0.0361","","","0.096","0.0969","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231495","9.396","0.002","37.076","0.008","9.9611","0.0016","90","","90","","90","","3470.1","1.2","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","0.71073","MoKα","","0.2045","0.0876","","","0.1727","0.2136","","","","","","0.982","","","","has coordinates","210455","2020-10-21","18:00:00",""
"7231496","15.4733","0.0004","9.949","0.0002","15.8181","0.0006","90","","99.548","0.003","90","","2401.37","0.12","130","1","130","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Cu2 N2 O7 -","- C23 H30 Cu2 N2 O7 -","- C92 H120 Cu8 N8 O28 -","4","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","0.71073","MoKα","","0.0377","0.0299","","","0.0716","0.0761","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231497","11.98914","0.00013","10.38861","0.00009","16.00151","0.00014","90","","110.579","0.0011","90","","1865.82","0.03","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu N2 O4 -","- C20 H23.991 Cu N2 O4 -","- C80 H95.964 Cu4 N8 O16 -","4","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","1.54184","CuKα","","0.0423","0.0416","","","0.118","0.1186","","","","","","1.068","","","","has coordinates,has disorder","210455","2020-10-21","18:00:00",""
"7231498","11.7467","0.0003","9.7126","0.0002","12.6975","0.0003","90","","103.467","0.001","90","","1408.84","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O8 -","- C31 H44 O8 -","- C62 H88 O16 -","2","1","","Li, Lei; Peng, Xing-Rong; Dong, Jin-Run; Lu, Shuang-Yang; Li, Xiao-Nian; Zhou, Lin; Qiu, Ming-Hua","Rearranged lanostane-type triterpenoids with anti-hepatic fibrosis activities from Ganoderma applanatum","RSC Advances","2018","8","55","31287","","10.1039/C8RA05282D","","","1.54178","CuKα","","0.036","0.036","","","0.0977","0.0977","","","","","","1.061","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231508","7.566","0.0009","17.062","0.002","11.3231","0.0015","90","","99.531","0.004","90","","1441.5","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CaNDC_7","CaNDC","","- C56 H48 Ca4 O24 -","- C56 H48 Ca4 O24 -","- C56 H48 Ca4 O24 -","1","0.25","","Kojima, Daichi; Sanada, Tomoe; Wada, Noriyuki; Kojima, Kazuo","Synthesis, structure, and fluorescence properties of a calcium-based metal‒organic framework","RSC Advances","2018","8","55","31588","","10.1039/C8RA06043F","","","0.71073","MoKα","","0.0339","0.0304","","","0.1063","0.1109","","","","","","0.902","","","","has coordinates","210821","2020-10-21","18:00:00",""
"7231509","7.6565","0.0002","9.8198","0.0003","24.8755","0.0007","90","","90","","90","","1870.27","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Wang, Shuang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Feng, Tao; Liu, Ji-Kai","Polyellisin, a novel polyketide from cultures of the basidiomycete Polyporus ellisii","RSC Advances","2018","8","55","31538","","10.1039/C8RA06544F","","","1.54178","CuKα","","0.0313","0.0311","","","0.079","0.0792","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231533","7.0572","0.0007","9.1203","0.0007","5.7992","0.0005","90","","105.878","0.004","90","","359.02","0.06","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Cu3 O8 -","- C2 H6 Cu3 O8 -","- C4 H12 Cu6 O16 -","2","0.5","","Fujita, Wataru","Crystal structures, and magnetic and thermal properties of basic copper formates with two-dimensional triangular-lattice magnetic networks","RSC Advances","2018","8","57","32490","","10.1039/C8RA07134A","","","0.71075","MoKα","","0.0436","0.0398","","","0.0962","0.0974","","","","","","1.069","","","","has coordinates","211081","2020-10-21","18:00:00",""
"7231534","3.2574","0.0012","5.9387","0.0014","7.246","0.003","90","","101.805","0.009","90","","137.21","0.08","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C H2 Cu O3 -","- C H2 Cu O3 -","- C2 H4 Cu2 O6 -","2","0.5","","Fujita, Wataru","Crystal structures, and magnetic and thermal properties of basic copper formates with two-dimensional triangular-lattice magnetic networks","RSC Advances","2018","8","57","32490","","10.1039/C8RA07134A","","","0.71075","MoKα","","0.0319","0.0296","","","0.074","0.0755","","","","","","1.089","","","","has coordinates","211081","2020-10-21","18:00:00",""
"7231544","6.2977","0.0002","7.4401","0.0002","18.2018","0.0006","90","","92.594","0.002","90","","851.98","0.05","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0317","0.0304","","","0.0795","0.0805","","","","","","1.073","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231545","6.4767","0.0004","6.7235","0.0005","20.8609","0.0014","90","","93.851","0.004","90","","906.36","0.11","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0408","0.0386","","","0.0977","0.0995","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231546","6.2884","0.0003","9.3902","0.0005","14.9711","0.0007","90","","98.263","0.002","90","","874.86","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0367","0.0359","","","0.0995","0.1005","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231547","9.5492","0.0009","9.6708","0.0009","19.5238","0.0018","90","","90","","90","","1803","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","0.71073","MoKα","","0.0398","0.0348","","","0.0783","0.0815","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231548","20.667","0.004","8.681","0.0017","9.051","0.0018","90","","91.06","0.03","90","","1623.6","0.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N10TM","","- C14 H29 N O4 -","- C14 H29 N O4 -","- C56 H116 N4 O16 -","4","1","","Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan","Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane","RSC Advances","2018","8","57","32823","","10.1039/C8RA06479B","","","0.61","synchrotron","","0.0919","0.0547","","","0.1561","0.1734","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231549","23.076","0.005","8.676","0.0017","9.051","0.0018","90","","91.41","0.03","90","","1811.5","0.6","284","2","284","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N12TM","","- C16 H33 N O4 -","- C16 H33 N O4 -","- C64 H132 N4 O16 -","4","1","","Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan","Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane","RSC Advances","2018","8","57","32823","","10.1039/C8RA06479B","","","0.61","synchrotron","","0.0907","0.0688","","","0.2175","0.2292","","","","","","1.078","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231550","25.529","0.005","8.668","0.0017","9.046","0.0018","90","","93.26","0.03","90","","1998.5","0.7","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N14TM","","- C18 H37 N O4 -","- C18 H37 N O4 -","- C72 H148 N4 O16 -","4","1","","Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan","Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane","RSC Advances","2018","8","57","32823","","10.1039/C8RA06479B","","","0.61","synchrotron","","0.0594","0.0492","","","0.1508","0.1604","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231551","13.045","0.0004","13.045","0.0004","40.2669","0.0012","90","","90","","90","","6852.3","0.4","198","2","198","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C84 H80 O8 -","- C84 H80 O8 -","- C336 H320 O32 -","4","","","Muravev, Anton A.; Solovieva, Svetlana E.; Galieva, Farida B.; Bazanova, Olga B.; Rizvanov, Ildar Kh.; Ivshin, Kamil A.; Kataeva, Olga N.; Matthews, Susan E.; Antipin, Igor S.","Calixarene alpha-ketoacetylenes: versatile platforms for reaction with hydrazine nucleophile","RSC Advances","2018","8","57","32765","","10.1039/C8RA06349D","","","1.54178","CuKα","","0.0479","0.0462","","","0.1272","0.1288","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:21",""
"7231552","18.8799","0.0006","15.041","0.0003","18.7314","0.0005","90","","117.376","0.004","90","","4723.5","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H35 N O8 Os3 P2 S -","- C51 H35 N O8 Os3 P2 S -","- C204 H140 N4 O32 Os12 P8 S4 -","4","1","","Begum, Shahin A.; Chowdhury, Md. Arshad H.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Yang, Li; Hardcastle, K. I.; Rosenberg, Edward; Kabir, Shariff E.","Experimental and computational preference for phosphine regioselectivity and stereoselective tripodal rotation in HOs3(CO)8(PPh3)2(μ-1,2-N,C-η1,κ1-C7H4NS)","RSC Advances","2018","8","57","32672","","10.1039/C8RA07400C","","x-ray","0.71073","MoKα","","0.0288","0.0242","","","0.0561","0.0592","","","","","","1.071","","","","has coordinates","211109","2020-10-21","18:00:00",""
"7231553","11.0561","0.0002","16.0438","0.0003","21.7248","0.0005","100.946","0.0019","92.7106","0.0019","90.9327","0.0017","3777.99","0.13","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C69 H42 Cl2 N2 O19 Os6 P2 S2 -","- C69 H42 Cl2 N2 O19 Os6 P2 S2 -","- C138 H84 Cl4 N4 O38 Os12 P4 S4 -","2","1","","Begum, Shahin A.; Chowdhury, Md. Arshad H.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Yang, Li; Hardcastle, K. I.; Rosenberg, Edward; Kabir, Shariff E.","Experimental and computational preference for phosphine regioselectivity and stereoselective tripodal rotation in HOs3(CO)8(PPh3)2(μ-1,2-N,C-η1,κ1-C7H4NS)","RSC Advances","2018","8","57","32672","","10.1039/C8RA07400C","","x-ray","0.71073","MoKα","","0.0285","0.0234","","","0.0541","0.0569","","","","","","1.076","","","","has coordinates","211109","2020-10-21","18:00:00",""
"7231585","12.576","0.002","33.286","0.001","14.585","0.002","90","","95.981","0.003","90","","6072.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57.65 H55.4 Cl3.8 N3 O13.75 -","- C57.65 H55.4 Cl3.8 N3 O13.75 -","- C230.6 H221.6 Cl15.2 N12 O55 -","4","1","","Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Geremia, Silvano; Greco, Francesco; Millesi, Salvatrice; Pappalardo, Andrea; Spitaleri, Luca; Gulino, Antonino","Recognition and optical sensing of amines by a quartz-bound 7-chloro-4-quinolylazopillar[5]arene monolayer","RSC Advances","2018","8","58","33269","","10.1039/C8RA06792A","","","0.8","","","0.1096","0.1059","","","0.2726","0.2763","","","","","","1.043","","","","has coordinates,has disorder","211191","2020-10-21","18:00:00",""
"7231598","6.515","0.002","7.832","0.002","36.046","0.007","90","0.03","90","0.03","90","0.03","1839.3","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 5aa","","","- C21 H18 F3 N O2 -","- C21 H18 F3 N O2 -","- C84 H72 F12 N4 O8 -","4","1","","Crotti, Simone; Belletti, Giada; Di Iorio, Nicola; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo; Bencivenni, Giorgio","Asymmetric vinylogous aldol addition of alkylidene oxindoles on trifluoromethyl-α,β-unsaturated ketones","RSC Advances","2018","8","58","33451","","10.1039/C8RA06615A","","","0.71073","MoKα","","0.0361","0.033","","","0.076","0.0774","","","","","","1.093","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231605","7.906","0.001","10.5987","0.0014","16.01","0.002","90","","90","","90","","1341.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ethyl (S)-3-nitro-2-phenyl-2,5-dihydrothiophene-2-carboxylate","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","","Zhu, Xiao-Yu; Lv, Mei-Heng; Zhao, Ya-Nan; Lan, Li-Yan; Li, Wen-Ze; Xiao, Lin-Jiu","Organocatalytic sulfa-Michael/aldol cascade: constructing functionalized 2,5-dihydrothiophenes bearing a quaternary carbon stereocenter","RSC Advances","2018","8","59","34000","","10.1039/C8RA04325F","","","0.71073","MoKα","","0.0304","0.0282","","","0.0771","0.0786","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231606","10.0073","0.0004","12.1668","0.0005","15.4066","0.0005","67.8","0.003","87.298","0.003","81.654","0.004","1718.35","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C88 H68 N4 O8 -","2","1","","Yu, Shuyan; Wu, Jingxin; Lan, Hongbing; Xu, Hanwen; Shi, Xiaofei; Zhu, Xuewen; Yin, Zhigang","Transition metal/Brønsted acid cooperative catalysis enabled facile synthesis of 8-hydroxyquinolines through one-pot reactions of ortho-aminophenol, aldehydes and alkynes","RSC Advances","2018","8","59","33968","","10.1039/C8RA07212D","","x-ray","1.54184","CuKα","","0.0488","0.0405","","","0.11","0.119","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231607","14.7396","0.0011","12.3042","0.0009","19.6197","0.0012","90","","90","","90","","3558.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C184 H136 N8 O24 -","8","1","","Yu, Shuyan; Wu, Jingxin; Lan, Hongbing; Xu, Hanwen; Shi, Xiaofei; Zhu, Xuewen; Yin, Zhigang","Transition metal/Brønsted acid cooperative catalysis enabled facile synthesis of 8-hydroxyquinolines through one-pot reactions of ortho-aminophenol, aldehydes and alkynes","RSC Advances","2018","8","59","33968","","10.1039/C8RA07212D","","","0.71073","MoKα","","0.0747","0.0512","","","0.1325","0.1506","","","","","","1.0422","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231608","8.6631","0.0005","9.5398","0.0005","13.2336","0.0007","99.341","0.002","97.979","0.002","111.362","0.002","981.45","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-phenyl(4,4,4-trifluoro-2-iodo-3-(iodomethyl)-1-phenylbut-1-en-1-yl)sulfane","","- C18 H15 F3 I2 S -","- C18 H15 F3 I2 S -","- C36 H30 F6 I4 S2 -","2","1","","Cheng, Huayu; Zhou, Xiaofan; Hu, Anjing; Ding, Shiteng; Wang, Yimo; Xiao, Yuanjing; Zhang, Junliang","Thioether-functionalized trifluoromethyl-alkynes, 1,3-dienes and allenes: divergent synthesis from reaction of 2-trifluoromethyl-1,3-conjugated enynes with sulfur nucleophiles","RSC Advances","2018","8","59","34088","","10.1039/C8RA07834C","","","0.71073","MoKα","","0.0515","0.0473","","","0.1235","0.1267","","","","","","1.07","","","","has coordinates","211329","2020-10-21","18:00:00",""
"7231609","6.0932","0.0001","16.4042","0.0001","15.8151","0.0001","90","","100.394","0.001","90","","1554.84","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 F3 N O2 S -","- C17 H12 F3 N O2 S -","- C68 H48 F12 N4 O8 S4 -","4","1","","Cheng, Huayu; Zhou, Xiaofan; Hu, Anjing; Ding, Shiteng; Wang, Yimo; Xiao, Yuanjing; Zhang, Junliang","Thioether-functionalized trifluoromethyl-alkynes, 1,3-dienes and allenes: divergent synthesis from reaction of 2-trifluoromethyl-1,3-conjugated enynes with sulfur nucleophiles","RSC Advances","2018","8","59","34088","","10.1039/C8RA07834C","","x-ray","1.54184","CuKα","","0.0394","0.0381","","","0.1035","0.1049","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231610","10.378","0.002","27.244","0.005","17.662","0.005","90","","120.57","0.02","90","","4299.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H40 As4 Mn7 N14 S13 -","- C6 H20 As4 Mn7 N14 S13 -","- C24 H80 As16 Mn28 N56 S52 -","4","1","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0501","0.0406","","","0.0817","0.0925","","","","","","1.114","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231611","6.6881","0.0013","7.9869","0.0016","10.966","0.002","78.68","0.03","83.53","0.03","77.92","0.03","560.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- As2 H24 Mn3 N8 S8 -","- As2 H24 Mn3 N8 S8 -","- As2 H24 Mn3 N8 S8 -","1","0.5","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.031","0.0291","","","0.069","0.0699","","","","","","1.042","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231612","11.798","0.002","8.3683","0.0017","12.313","0.003","90","","112.66","0.03","90","","1121.8","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- As2 H24 Mn3 N12 S8 -","- As2 H24 Mn3 N12 S8 -","- As4 H48 Mn6 N24 S16 -","2","0.5","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0281","0.0259","","","0.0558","0.0567","","","","","","1.108","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231613","9.3253","0.0019","9.5222","0.0019","11.863","0.002","96.39","0.03","90.62","0.03","97.79","0.03","1036.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- As2 H24 Mn3 N12 S6 -","- As2 H24 Mn3 N12 S6 -","- As4 H48 Mn6 N24 S12 -","2","1","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0529","0.0376","","","0.0745","0.091","","","","","","1.037","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231614","7.7875","0.0016","8.0898","0.0016","10.072","0.002","74.27","0.03","70.54","0.03","74.43","0.03","564.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H26 As2 Mn3 N8 S6 -","- C6 H26 As2 Mn3 N8 S6 -","- C6 H26 As2 Mn3 N8 S6 -","1","0.5","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0546","0.0426","","","0.0946","0.1068","","","","","","1.049","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231615","7.5398","0.0015","12.847","0.003","26.646","0.005","90","","90","","90","","2581","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H17 As Mn N7 S4 -","- C H17 As Mn N7 S4 -","- C8 H136 As8 Mn8 N56 S32 -","8","1","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0598","0.0422","","","0.091","0.1016","","","","","","1.116","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231617","12.1817","0.0007","6.0879","0.0003","15.7708","0.0008","90","","102.615","0.005","90","","1141.34","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Xiao, Zhen; Li, Juanjuan; Yue, Qiang; Zhang, Qian; Li, Dong","An efficient and atom-economical route to N-aryl amino alcohols from primary amines","RSC Advances","2018","8","60","34304","","10.1039/C8RA07355D","","x-ray","1.54184","CuKα","","0.0438","0.0359","","","0.0982","0.1059","","","","","","1.077","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231618","9.1507","0.0005","9.0836","0.0005","13.3668","0.0007","90","","93.2446","0.0016","90","","1109.28","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 1, Togni reagent I","","","- C10 H10 F3 I O -","- C10 H10 F3 I O -","- C40 H40 F12 I4 O4 -","4","1","","Wang, R.; Kalf, I.; Englert, U.","Insight into trifluoromethylation – experimental electron density for Togni reagent I","RSC Advances","2018","8","60","34287","","10.1039/C8RA07187J","","","0.71073","MoKα","","0.0271","0.0221","","","0.0534","0.0552","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231619","9.1507","0.0005","9.0836","0.0005","13.3668","0.0007","90","","93.2446","0.0016","90","","1109.28","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 1, Togni reagent I","","","- C10 H10 F3 I O -","- C10 H10 F3 I O -","- C40 H40 F12 I4 O4 -","4","1","","Wang, R.; Kalf, I.; Englert, U.","Insight into trifluoromethylation – experimental electron density for Togni reagent I","RSC Advances","2018","8","60","34287","","10.1039/C8RA07187J","","","0.71073","MoKα","","0.034","0.019","","","","0.05","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231620","9.2639","0.0003","10.182","0.0004","14.3848","0.0005","102.884","0.0019","99.249","0.002","112.004","0.0019","1180.7","0.08","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Taniguchi, Takuya; Kubota, Ayumi; Moritoki, Tatsuya; Asahi, Toru; Koshima, Hideko","Two-step photomechanical motion of a dibenzobarrelene crystal","RSC Advances","2018","8","60","34314","","10.1039/C8RA06639F","","","1.54187","CuKα","","0.0912","0.0567","","","0.1206","0.141","","","","","","1.024","","","","has coordinates,has disorder","301866","2025-08-22","21:38:22",""
"7231621","9.2358","0.0007","10.1367","0.0009","14.2857","0.0013","102.73","0.003","99.234","0.003","111.955","0.002","1165.54","0.18","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Taniguchi, Takuya; Kubota, Ayumi; Moritoki, Tatsuya; Asahi, Toru; Koshima, Hideko","Two-step photomechanical motion of a dibenzobarrelene crystal","RSC Advances","2018","8","60","34314","","10.1039/C8RA06639F","","","0.71075","MoKα","","0.0701","0.0362","","","0.0893","0.1134","","","","","","1.092","","","","has coordinates,has disorder","301866","2025-08-22","21:38:22",""
"7231622","9.2215","0.001","10.1283","0.001","14.3122","0.0016","102.715","0.006","99.297","0.008","111.851","0.006","1165.7","0.2","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Taniguchi, Takuya; Kubota, Ayumi; Moritoki, Tatsuya; Asahi, Toru; Koshima, Hideko","Two-step photomechanical motion of a dibenzobarrelene crystal","RSC Advances","2018","8","60","34314","","10.1039/C8RA06639F","","","1.54187","CuKα","","0.0934","0.0575","","","0.1234","0.158","","","","","","1.107","","","","has coordinates,has disorder","211341","2020-10-21","18:00:00",""
"7231625","15.5696","0.0006","19.6736","0.0007","9.4182","0.0003","90","","95.241","0.003","90","","2872.83","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Wael_111Hw_02_0817","","","- C35 H25 Cl N4 O3 -","- C35 H25 Cl N4 O3 -","- C140 H100 Cl4 N16 O12 -","4","1","","Al-Matar, Hamad M.; Dawood, Kamal M.; Tohamy, Wael M.","Tandem one-pot synthesis of 2-arylcinnolin-6-one derivatives from arylhydrazonopropanals and acetoacetanilides using sustainable ultrasound and microwave platforms","RSC Advances","2018","8","60","34459","","10.1039/C8RA06494F","","","1.54178","CuKα","","0.08","0.0547","","","0.1338","0.152","","","","","","1.041","","","","has coordinates","211362","2020-10-21","18:00:00",""
"7231627","10.226","0.0007","10.6156","0.0008","11.7663","0.0008","69.018","0.007","85.368","0.006","85.951","0.006","1187.51","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cl0.75 N O3 -","- C30 H22 Cl0.757 N O3 -","- C60 H44 Cl1.514 N2 O6 -","2","1","","Novikova, Daria S.; Grigoreva, Tatyana A.; Zolotarev, Andrey A.; Garabadzhiu, Alexander V.; Tribulovich, Vyacheslav G.","Advanced palladium free approach to the synthesis of substituted alkene oxindoles via aluminum-promoted Knoevenagel reaction","RSC Advances","2018","8","60","34543","","10.1039/C8RA07576J","","","0.71073","MoKα","","0.0553","0.047","","","0.1133","0.1196","","","","","","1.019","","","","has coordinates","211386","2020-10-21","18:00:00",""
"7231628","17.837","0.004","17.886","0.005","23.754","0.006","90","","90","","90","","7578","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cu6 Mo5 N18 O23 -","- C12 H20 Cu6 Mo5 N18 O23 -","- C96 H160 Cu48 Mo40 N144 O184 -","8","1","","He, Danfeng; Liu, Shumei; Zhou, Fujiang; Zhao, Xianjun; Liu, Yiwei; Luo, Fang; Liu, Shuxia","Recognition of trace organic pollutant and toxic metal ions via a tailored fluorescent metal‒organic coordination polymer in water environment","RSC Advances","2018","8","60","34712","","10.1039/C8RA05502E","","","0.71073","MoKα","","0.1258","0.0815","","","0.1413","0.1602","","","","","","1.057","","","","has coordinates","211387","2020-10-21","18:00:00",""
"7231629","11.698","0.0013","13.2","0.0015","13.564","0.0015","64.143","0.002","83.737","0.002","67.919","0.002","1742.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 N5 O6 Sr -","- C42 H24 N5 O6 Sr -","- C84 H48 N10 O12 Sr2 -","2","1","","He, Danfeng; Liu, Shumei; Zhou, Fujiang; Zhao, Xianjun; Liu, Yiwei; Luo, Fang; Liu, Shuxia","Recognition of trace organic pollutant and toxic metal ions via a tailored fluorescent metal–organic coordination polymer in water environment","RSC Advances","2018","8","60","34712","","10.1039/C8RA05502E","","","0.71069","MoKα","","0.0809","0.0658","","","0.2007","0.2164","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231652","9.7652","0.0011","14.8258","0.0018","10.1665","0.0012","90","","108.135","0.004","90","","1398.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Cl N2 O -","- C13 H21 Cl N2 O -","- C52 H84 Cl4 N8 O4 -","4","1","","Huynh, Han Vinh; Lam, Truc Tien; Luong, Huyen T. T.","Anion influences on reactivity and NMR spectroscopic features of NHC precursors","RSC Advances","2018","8","61","34960","","10.1039/C8RA05839C","","","0.71073","MoKα","","0.1186","0.0586","","","0.1047","0.1242","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231653","7.1115","0.0003","12.4689","0.0007","15.8457","0.0007","90","","93.346","0.002","90","","1402.68","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C56 H76 N12 S4 -","4","1","","Huynh, Han Vinh; Lam, Truc Tien; Luong, Huyen T. T.","Anion influences on reactivity and NMR spectroscopic features of NHC precursors","RSC Advances","2018","8","61","34960","","10.1039/C8RA05839C","","","0.71073","MoKα","","0.0828","0.0479","","","0.1037","0.1192","","","","","","0.95","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231654","9.8653","0.0003","16.7612","0.0005","18.1753","0.0005","90","","90","","90","","3005.36","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 B N2 -","- C37 H39 B N2 -","- C148 H156 B4 N8 -","4","1","","Huynh, Han Vinh; Lam, Truc Tien; Luong, Huyen T. T.","Anion influences on reactivity and NMR spectroscopic features of NHC precursors","RSC Advances","2018","8","61","34960","","10.1039/C8RA05839C","","","0.71073","MoKα","","0.0646","0.0445","","","0.0805","0.0865","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231655","7.9835","0.0002","12.3524","0.0003","22.3908","0.0005","90","","96.078","0.002","90","","2195.67","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 O -","- C28 H22 N4 O -","- C112 H88 N16 O4 -","4","1","","Urvashi, Urvashi; Tandon, Vibha; Das, Parthasarathi; Kukreti, S.","Synthesis of 3,6-diaryl-1H-pyrazolo[3,4-b]pyridines via one-pot sequential Suzuki–Miyaura coupling","RSC Advances","2018","8","61","34883","","10.1039/C8RA07104G","","","0.71073","MoKα","","0.0957","0.0776","","","0.3","0.3162","","","","","","1.273","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231656","9.9699","0.0008","11.2846","0.001","13.4112","0.0011","87.684","0.007","88.22","0.007","75.359","0.008","1458.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 F6 N3 -","- C15 H9 F6 N3 -","- C60 H36 F24 N12 -","4","2","","Urvashi, Urvashi; Tandon, Vibha; Das, Parthasarathi; Kukreti, S.","Synthesis of 3,6-diaryl-1H-pyrazolo[3,4-b]pyridines via one-pot sequential Suzuki–Miyaura coupling","RSC Advances","2018","8","61","34883","","10.1039/C8RA07104G","","","0.71073","MoKα","","0.1665","0.1064","","","0.2881","0.3417","","","","","","1.064","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231657","8.8838","0.0018","13.895","0.003","20.744","0.004","90","","90","","90","","2560.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O3 -","- C29 H29 N3 O3 -","- C116 H116 N12 O12 -","4","1","","Rainoldi, Giulia; Lesma, Giordano; Picozzi, Claudia; Lo Presti, Leonardo; Silvani, Alessandra","One step access to oxindole-based β-lactams through Ugi four-center three-component reaction","RSC Advances","2018","8","61","34903","","10.1039/C8RA08165D","","","0.71073","MoKα","","0.0885","0.0591","","","0.1708","0.1952","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231658","20.236","0.003","11.8211","0.0016","16.322","0.002","90","","104.698","0.004","90","","3776.6","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Uranium formic acid","","","- C12 H18 O39 U6 -","- C12 H18 O39 U6 -","- C48 H72 O156 U24 -","4","0.5","","Ling, Jie; Lu, Huangjie; Wang, Yaxing; Johnson, Kenndra; Wang, Shuao","One-dimensional chain structures of hexanuclear uranium(iv) clusters bridged by formate ligands","RSC Advances","2018","8","61","34947","","10.1039/C8RA06330C","","","0.71073","MoKα","","0.053","0.0351","","","0.0652","0.0698","","","","","","1.07","","","","has coordinates","211454","2020-10-21","18:00:00",""
"7231659","11.5396","0.0005","11.7744","0.0008","16.2574","0.0008","77.994","0.003","77.951","0.002","60.742","0.002","1870.07","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Uranium formic acid","","","- C13 O38 U6 -","- C13 O38 U6 -","- C26 O76 U12 -","2","1","","Ling, Jie; Lu, Huangjie; Wang, Yaxing; Johnson, Kenndra; Wang, Shuao","One-dimensional chain structures of hexanuclear uranium(iv) clusters bridged by formate ligands","RSC Advances","2018","8","61","34947","","10.1039/C8RA06330C","","","0.71073","MoKα","","0.0816","0.0438","","","0.0901","0.1046","","","","","","0.901","","","","has coordinates","211454","2020-10-21","18:00:00",""
"7231660","20.458","0.003","15.473","0.003","15.918","0.002","90","","107.718","0.01","90","","4799.8","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Uranium formic acid pyridine","","","- C29 H33 N3 O36 U6 -","- C29 H33 N3 O36 U6 -","- C116 H132 N12 O144 U24 -","4","0.5","","Ling, Jie; Lu, Huangjie; Wang, Yaxing; Johnson, Kenndra; Wang, Shuao","One-dimensional chain structures of hexanuclear uranium(iv) clusters bridged by formate ligands","RSC Advances","2018","8","61","34947","","10.1039/C8RA06330C","","","0.71073","MoKα","","0.0548","0.0296","","","0.0585","0.0667","","","","","","0.951","","","","has coordinates","211454","2020-10-21","18:00:00",""
"7231661","6.2425","0.0002","12.502","0.0004","9.2298","0.0003","90","","106.81","0.003","90","","689.55","0.04","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","zinc ammonium sulfate hexahydrate","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Pérez-Benítez, Aarón; Bernès, Sylvain","Does the compound hexaaqua-zinc(ii)bis(hydrogensulfate)dihydrate, [Zn(H2O)6](HSO4·H2O)2, really exist?","RSC Advances","2018","8","61","34921","","10.1039/C8RA05162C","","x-ray","0.56083","AgKα","","0.0352","0.0242","","","0.0695","0.0736","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231673","20.681","0.0013","10.5543","0.0007","23.8451","0.0015","90","","91.587","0.005","90","","5202.8","0.6","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H24 Br N5 O3 -","- C31 H24 Br N5 O3 -","- C248 H192 Br8 N40 O24 -","8","1","","Reddy, Marri Sameer; Kumar, Nandigama Satish; Chowhan, L. Raju","Heterogeneous graphene oxide as recyclable catalyst for azomethine ylide mediated 1,3 dipolar cycloaddition reaction in aqueous medium","RSC Advances","2018","8","62","35587","","10.1039/C8RA06714G","","","0.71075","MoKα","","","0.0414","","","","0.1336","","","","","","0.965","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231674","7.8599","0.0006","20.3405","0.0016","13.7843","0.0011","90","","94.269","0.004","90","","2197.6","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Br N4 O4 -","- C24 H21 Br N4 O4 -","- C96 H84 Br4 N16 O16 -","4","1","","Reddy, Marri Sameer; Kumar, Nandigama Satish; Chowhan, L. Raju","Heterogeneous graphene oxide as recyclable catalyst for azomethine ylide mediated 1,3 dipolar cycloaddition reaction in aqueous medium","RSC Advances","2018","8","62","35587","","10.1039/C8RA06714G","","","0.71075","MoKα","","","0.0473","","","","0.1607","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231675","7.1465","0.0005","8.5993","0.0006","24.5966","0.0017","93.136","0.007","96.008","0.007","106.846","0.007","1433.02","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Br2 Co N2 O5 -","- C31 H26 Br2 Co N2 O5 -","- C62 H52 Br4 Co2 N4 O10 -","2","1","","Saghatforoush, Lotfali; Moeini, Keyvan; Hosseini-Yazdi, Seyed Abolfazl; Mardani, Zahra; Hajabbas-Farshchi, Alireza; Jameson, Heather T.; Telfer, Shane G.; Woollins, J. Derek","Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes","RSC Advances","2018","8","62","35625","","10.1039/C8RA07463A","","","1.54178","CuKα","","0.1039","0.0811","","","0.2042","0.2413","","","","","","1.148","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231676","7.1537","0.0006","8.5883","0.0006","24.6179","0.0017","92.958","0.007","96.172","0.007","106.824","0.007","1433.9","0.2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Br2 N2 O5 Zn -","- C31 H26 Br2 N2 O5 Zn -","- C62 H52 Br4 N4 O10 Zn2 -","2","1","","Saghatforoush, Lotfali; Moeini, Keyvan; Hosseini-Yazdi, Seyed Abolfazl; Mardani, Zahra; Hajabbas-Farshchi, Alireza; Jameson, Heather T.; Telfer, Shane G.; Woollins, J. Derek","Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes","RSC Advances","2018","8","62","35625","","10.1039/C8RA07463A","","","1.54178","CuKα","","0.1252","0.0851","","","0.2127","0.2651","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231677","14.8266","0.001","12.0316","0.0009","18.82","0.003","90","","96.213","0.007","90","","3337.5","0.6","436","2","436","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Br2 Cu2 N2 O5 -","- C34 H32 Br2 Cu2 N2 O8 -","- C136 H128 Br8 Cu8 N8 O32 -","4","1","","Saghatforoush, Lotfali; Moeini, Keyvan; Hosseini-Yazdi, Seyed Abolfazl; Mardani, Zahra; Hajabbas-Farshchi, Alireza; Jameson, Heather T.; Telfer, Shane G.; Woollins, J. Derek","Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes","RSC Advances","2018","8","62","35625","","10.1039/C8RA07463A","","","1.54178","CuKα","","0.0927","0.0749","","","0.1969","0.2311","","","","","","1.108","","","","has coordinates","211518","2020-10-21","18:00:00",""
"7231683","18.655","0.004","13.1","0.003","12.832","0.003","90","","110.08","0.03","90","","2945.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ag3 I5 N4 -","- C20 H20 Ag3 I5 N4 -","- C80 H80 Ag12 I20 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescent iodoargentates with bisimidazole derivatives as countercations","RSC Advances","2018","8","63","36150","","10.1039/C8RA05760E","","","0.71073","MoKα","","0.0579","0.0392","","","0.0805","0.087","","","","","","1.034","","","","has coordinates","211603","2020-10-21","18:00:00",""
"7231684","21.078","0.004","21.543","0.004","7.9092","0.0016","90","","107.59","0.03","90","","3423.5","1.3","293","2","293","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C17 H30 Ag5 I6 N5 O -","- C17 H30 Ag5 I6 N5 O -","- C68 H120 Ag20 I24 N20 O4 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescent iodoargentates with bisimidazole derivatives as countercations","RSC Advances","2018","8","63","36150","","10.1039/C8RA05760E","","","0.71073","MoKα","","0.0315","0.0298","","","0.0636","0.0644","","","","","","1.044","","","","has coordinates,has disorder","211603","2020-10-21","18:00:00",""
"7231685","7.2734","0.0002","9.8577","0.0002","16.4819","0.0004","81.468","0.001","87.233","0.001","85.089","0.001","1163.61","0.05","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 Ag2 I4 N4 -","- C13 H22 Ag2 I4 N4 -","- C26 H44 Ag4 I8 N8 -","2","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescent iodoargentates with bisimidazole derivatives as countercations","RSC Advances","2018","8","63","36150","","10.1039/C8RA05760E","","","0.71073","MoKα","","0.033","0.0248","","","0.0494","0.053","","","","","","1.038","","","","has coordinates","211603","2020-10-21","18:00:00",""
"7231690","11.438","0.002","11.94","0.002","9.874","0.0019","90","","107.37","0.002","90","","1287","0.4","220","2","220.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","1","","Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel","Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand","RSC Advances","2018","8","63","36223","","10.1039/C8RA05697H","","","0.71073","MoKα","","0.0208","0.0203","","","0.0505","0.0509","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231691","16.8767","0.0002","33.8581","0.0005","4.4165","0.0001","90","","91.65","0.001","90","","2522.6","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H13 I2 N3 S2 -","- C12 H13 I2 N3 S2 -","- C72 H78 I12 N18 S12 -","6","1.5","","Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel","Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand","RSC Advances","2018","8","63","36223","","10.1039/C8RA05697H","","x-ray","0.71073","MoKα","","0.0187","0.0187","","","0.0478","0.0479","","","","","","1.055","","","","has coordinates,has disorder","211659","2020-10-21","18:00:00",""
"7231692","15.8211","0.0003","15.8245","0.0003","16.6689","0.0002","79.74","0.001","66.715","0.002","73.107","0.002","3658.41","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N7 S2 -","- C18 H13 N7 S2 -","- C144 H104 N56 S16 -","8","4","","Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel","Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand","RSC Advances","2018","8","63","36223","","10.1039/C8RA05697H","","x-ray","1.54184","CuKα","","0.0641","0.0468","","","0.1139","0.1199","","","","","","1.023","","","","has coordinates","211659","2020-10-21","18:00:00",""
"7231693","24.331","0.008","8.402","0.003","20.59","0.006","90","","121.627","0.003","90","","3584","2","296","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Br4 N2 Ni O2 -","- C40 H28 Br4 N2 Ni O2 -","- C160 H112 Br16 N8 Ni4 O8 -","4","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.1206","0.0434","","","0.0562","0.0651","","","","","","1.264","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231694","17.482","0.008","10.366","0.005","18.537","0.008","90","","110.601","0.005","90","","3144","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 N2 Ni O2 -","- C40 H32 N2 Ni O2 -","- C160 H128 N8 Ni4 O8 -","4","1","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.0912","0.0601","","","0.1583","0.1784","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231695","7.6601","0.0006","13.1771","0.001","16.4976","0.0013","90","","98.918","0.001","90","","1645.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N2 Ni O2 -","- C42 H38 N2 Ni O2 -","- C84 H76 N4 Ni2 O4 -","2","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.0544","0.0423","","","0.1371","0.1499","","","","","","1.142","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231696","11.0313","0.0011","11.2443","0.0011","13.3797","0.0013","90","","99.094","0.001","90","","1638.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 Ni O2 -","- C42 H36 N2 Ni O2 -","- C84 H72 N4 Ni2 O4 -","2","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.0317","0.0286","","","0.0836","0.0864","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231697","17.8459","0.0014","9.8816","0.0007","20.2608","0.0016","90","","110.645","0.001","90","","3343.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Br2 N2 Ni O2 -","- C40 H30 Br2 N2 Ni O2 -","- C160 H120 Br8 N8 Ni4 O8 -","4","1","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.2086","0.1327","","","0.3291","0.3587","","","","","","2.001","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231698","10.243","0.004","16.148","0.006","12.283","0.005","90","","93.351","0.004","90","","2028.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N2 Ni O4 -","- C42 H36 N2 Ni O4 -","- C84 H72 N4 Ni2 O8 -","2","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.0462","0.04","","","0.1257","0.1353","","","","","","1.135","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231699","9.96","0.007","24.935","0.016","8.698","0.006","90","","104.781","0.008","90","","2089","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cl4 N2 Ni O4 -","- C44 H36 Cl4 N2 Ni O4 -","- C88 H72 Cl8 N4 Ni2 O8 -","2","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.1042","0.0541","","","0.1312","0.1469","","","","","","1.035","","","","has coordinates,has disorder","211661","2020-10-21","18:00:00",""
"7231700","9.1018","0.001","13.8097","0.0015","16.5217","0.0017","73.923","0.002","74.397","0.001","81.837","0.002","1916.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Cl8 N4 Ni2 O6 -","- C88 H76 Cl8 N4 Ni2 O6 -","- C88 H76 Cl8 N4 Ni2 O6 -","1","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.1887","0.0702","","","0.0762","0.0905","","","","","","1.167","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231710","14.359","0.0009","14.435","0.001","22.611","0.0014","90","","98.697","0.0011","90","","4632.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cd2 N3 O11 -","- C20 H15 Cd2 N3 O11 -","- C80 H60 Cd8 N12 O44 -","4","1","","Yao, Chan; Wang, Wei; Zhang, Shu-Ran; Li, Hui-Ying; Xu, Yan-Hong; Su, Zhong-Min; Che, Guang-Bo","A multifunctional microporous metal‒organic framework: efficient adsorption of iodine and column-chromatographic dye separation","RSC Advances","2018","8","63","36400","","10.1039/C8RA04648D","","","0.71069","MoKα","","0.1092","0.0781","","","0.2538","0.2803","","","","","","1.097","","","","has coordinates","211678","2020-10-21","18:00:00",""
"7231763","9.3537","0.0005","22.3285","0.0017","8.8584","0.0006","90","","105.591","0.006","90","","1782","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","","Zhao, Ruinan; Yang, Yaocheng; Wang, Xia; Ren, Peng; Zhang, Qian; Li, Dong","An efficient nickel/silver co-catalyzed remote C–H amination of 8-aminoquinolines with azodicarboxylates at room temperature","RSC Advances","2018","8","65","37064","","10.1039/C8RA07647B","","x-ray","1.54184","CuKα","","0.056","0.0436","","","0.1129","0.1236","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231772","9.2748","0.0007","9.397","0.0008","12.7651","0.0011","89.293","0.003","70.077","0.003","72.761","0.003","994.09","0.14","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H17 Cu N3 O7 -","- C21 H17 Cu N3 O7 -","- C42 H34 Cu2 N6 O14 -","2","1","","Arjmand, Farukh; Afsan, Zeenat; Roisnel, Thierry","Design, synthesis and characterization of novel chromone based-copper(ii) antitumor agents with N,N-donor ligands: comparative DNA/RNA binding profile and cytotoxicity","RSC Advances","2018","8","65","37375","","10.1039/C8RA06722H","","x-ray","0.71073","MoKα","","0.0313","0.0254","","","0.0651","0.0679","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231773","9.7287","0.0003","16.2803","0.0005","18.0736","0.0005","90","","97.594","0.003","90","","2837.5","0.15","130","2","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triethylammonium 3-[(4-hydroxy-2,2-dioxido-1,2-benzoxathiin-3-yl)methylphenyl]-1,2-benzoxathiin-4-olate 2,2-dioxide","","- C29 H31 N O8 S2 -","- C29 H31 N O8 S2 -","- C116 H124 N4 O32 S8 -","4","1","","Grygoriv, Galyna V.; Lega, Dmitry A.; Chernykh, Valentin P.; Zaprutko, Lucjusz; Gzella, Andrzej K.; Pawełczyk, Anna; Shemchuk, Leonid A.","1,2-Benzoxathiin-4(3H)-one 2,2-dioxide – new enol nucleophile in three-component interaction with benzaldehydes and active methylene nitriles","RSC Advances","2018","8","65","37295","","10.1039/C8RA06801A","","","0.71073","MoKα","","0.0495","0.0409","","","0.1058","0.112","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231774","8.4151","0.0003","11.8166","0.0005","17.6708","0.0008","90","","103.635","0.005","90","","1707.63","0.13","130","2","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2-methoxyphenyl)-4H-pyrano[3,2-c][1,2]benzoxathiine-3-carbonitrile 5,5-dioxide","","- C19 H14 N2 O5 S -","- C19 H14 N2 O5 S -","- C76 H56 N8 O20 S4 -","4","1","","Grygoriv, Galyna V.; Lega, Dmitry A.; Chernykh, Valentin P.; Zaprutko, Lucjusz; Gzella, Andrzej K.; Pawełczyk, Anna; Shemchuk, Leonid A.","1,2-Benzoxathiin-4(3H)-one 2,2-dioxide – new enol nucleophile in three-component interaction with benzaldehydes and active methylene nitriles","RSC Advances","2018","8","65","37295","","10.1039/C8RA06801A","","","0.71073","MoKα","","0.0456","0.0393","","","0.1012","0.1076","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231778","27.2594","0.0019","5.7351","0.0004","26.1139","0.0018","90","","102.009","0.002","90","","3993.2","0.5","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(4-fluorophenyl)-<i>N</i>-phenyl-2-(phenylamino)ethanesulfonamide – toluene (1/0.5)","","- C23.5 H23 F N2 O2 S -","- C23.5 H23 F N2 O2 S -","- C188 H184 F8 N16 O16 S8 -","8","1","","Khumalo, Mzilikazi F.; Akpan, Ekemini D.; Chinthakindi, Praveen K.; Brasil, Edikarlos M.; Rajbongshi, Kamal K.; Makatini, Maya M.; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia; Arvidsson, Per I.","Synthesis of novel 1,2,4-thiadiazinane 1,1-dioxides via three component SuFEx type reaction","RSC Advances","2018","8","65","37503","","10.1039/C8RA07627H","","x-ray","0.71073","MoKα","","0.0447","0.0358","","","0.0899","0.0958","","","","","","1.032","","","","has coordinates,has disorder","301866","2025-08-22","21:38:22",""
"7231784","6.4337","0.0001","11.1793","0.0003","12.2318","0.0003","93.911","0.001","94.666","0.001","94.232","0.001","872.02","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_BT4_24_07_11","","","- C20 H11 N5 O S -","- C20 H11 N5 O S -","- C40 H22 N10 O2 S2 -","2","1","","Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider","l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach","RSC Advances","2018","8","66","37606","","10.1039/C8RA07013J","","","1.54178","","","0.0372","0.0347","","","0.1097","0.1125","","","","","","1.684","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231785","9.3107","0.0002","10.8553","0.0002","12.3036","0.0003","71.336","0.001","71.596","0.001","84.756","0.001","1117.81","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_BTg_11_07_11","","","- C24 H20 N6 O2 S -","- C24 H20 N6 O2 S -","- C48 H40 N12 O4 S2 -","2","1","","Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider","l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach","RSC Advances","2018","8","66","37606","","10.1039/C8RA07013J","","","1.54178","","","0.0751","0.0725","","","0.213","0.2166","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231786","6.4441","0.0008","12.3108","0.0013","12.7473","0.0012","61.344","0.005","80.031","0.006","83.005","0.006","873.13","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 Cl N5 O S -","- C20 H10 Cl N5 O S -","- C40 H20 Cl2 N10 O2 S2 -","2","1","","Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider","l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach","RSC Advances","2018","8","66","37606","","10.1039/C8RA07013J","","","0.71075","MoKα","","","0.0349","","","","0.0968","","","","","","0.917","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231787","6.6752","0.0003","11.0006","0.0006","13.2731","0.0008","67.007","0.003","80.203","0.003","85.509","0.003","884.07","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","F4","","","- C20 H9 Cl F N5 O S -","- C20 H9 Cl F N5 O S -","- C40 H18 Cl2 F2 N10 O2 S2 -","2","1","","Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider","l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach","RSC Advances","2018","8","66","37606","","10.1039/C8RA07013J","","","1.54178","CuKα","","0.0535","0.0465","","","0.1279","0.1405","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231810","7.7088","0.0004","13.5358","0.0007","16.1895","0.0009","90","","102.909","0.002","90","","1646.59","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H23 B8 I -","- C9 H23 B8 I -","- C36 H92 B32 I4 -","4","1","","Bakardjiev, Mario; Tok, Oleg L.; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Fanfrlík, Jindřich; Štíbr, Bohumil","Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry","RSC Advances","2018","8","67","38238","","10.1039/C8RA06640J","","","0.71073","MoKα","","0.0312","0.0257","","","0.0811","0.0852","","","","","","1.182","","","","has coordinates","211970","2020-10-21","18:00:00",""
"7231811","10.2153","0.0005","12.7603","0.0007","15.3713","0.0009","90","","90","","90","","2003.65","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B8 F3 O3 S -","- C10 H23 B8 F3 O3 S -","- C40 H92 B32 F12 O12 S4 -","4","1","","Bakardjiev, Mario; Tok, Oleg L.; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Fanfrlík, Jindřich; Štíbr, Bohumil","Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry","RSC Advances","2018","8","67","38238","","10.1039/C8RA06640J","","","0.71073","MoKα","","0.0434","0.0394","","","0.105","0.1087","","","","","","1.046","","","","has coordinates","211970","2020-10-21","18:00:00",""
"7231812","10.525","0.002","12.498","0.007","13.969","0.006","69.67","0.05","86.47","0.03","73.49","0.03","1650.6","1.4","297","","297","","","","","","","","","4","P -1","-P 1","2","2c","","","- C39 H44 N2 O -","- C39 H44 N2 O -","- C78 H88 N4 O2 -","2","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","1.54178","CuKα","","0.1099","0.0604","","","0.16","0.1951","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231813","9.9401","0.0014","9.9401","0.0014","19.673","0.004","90","","90","","90","","1943.8","0.6","200","","200","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","5","","","- C9.5 H11 B0.5 Cl0.5 F2 N -","- C9.5 H11 B0.5 Cl0.5 F2 N -","- C76 H88 B4 Cl4 F16 N8 -","8","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","0.71073","MoKα","","0.0437","0.0336","","","0.0862","0.0938","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231814","9.1627","0.0018","8.6433","0.0017","26.423","0.005","90","","91.17","0.03","90","","2092.2","0.7","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","7H+","","","- C19.5 H24 B Cl F4 N2 O -","- C19.5 H24 B Cl F4 N2 O -","- C78 H96 B4 Cl4 F16 N8 O4 -","4","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","0.71073","MoKα","","0.0856","0.067","","","0.1712","0.1887","","","","","","1.106","","","","has coordinates,has disorder","211971","2020-10-21","18:00:00",""
"7231815","12.168","0.002","21.152","0.004","6.9588","0.0014","90","","90","","90","","1791","0.6","200","","200","","","","","","","","","4","P n a 21","P 2c -2n","33","2d","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C76 H88 N16 O4 -","4","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","0.71073","MoKα","","0.056","0.0451","","","0.1144","0.1241","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:22",""
"7231816","9.5902","0.0005","11.1506","0.0005","14.3205","0.0007","90","","90","","90","","1531.38","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Valkute, Tushar R.; Aratikatla, Eswar K.; Gupta, Neha A.; Ganga, S.; Santra, Manas K.; Bhattacharya, Asish K.","Synthesis and anticancer studies of Michael adducts and Heck arylation products of sesquiterpene lactones, zaluzanin D and zaluzanin C from Vernonia arborea","RSC Advances","2018","8","67","38289","","10.1039/C8RA06238B","","","0.71073","MoKα","","0.0415","0.0344","","","0.0752","0.0791","","","","","","1.046","","","","has coordinates","211972","2020-10-21","18:00:00",""
"7231817","8.5429","0.0001","13.2378","0.0002","13.0463","0.0002","90","","95.0916","0.0006","90","","1469.57","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.043","0.0359","","","0.0936","0.1002","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231818","8.557","0.0001","13.2608","0.0002","13.075","0.0002","90","","95.0428","0.0007","90","","1477.91","0.04","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0434","0.0359","","","0.0932","0.0992","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231819","8.5732","0.0001","13.2867","0.0002","13.1056","0.0002","90","","94.9773","0.0007","90","","1487.22","0.04","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0455","0.0369","","","0.0961","0.1028","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:22",""
"7231820","8.5506","0.0001","13.2506","0.0002","13.0615","0.0002","90","","95.062","0.0007","90","","1474.1","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0433","0.036","","","0.0942","0.1007","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231821","8.6122","0.0001","13.346","0.0002","13.1742","0.0002","90","","94.7854","0.0008","90","","1508.94","0.04","260","2","260","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0518","0.0391","","","0.0998","0.1091","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231822","8.5912","0.0001","13.315","0.0002","13.1382","0.0002","90","","94.8947","0.0007","90","","1497.42","0.04","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0473","0.0378","","","0.1","0.1072","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231823","8.2765","0.0001","17.2288","0.0003","10.3944","0.0002","90","","94.9855","0.0006","90","","1476.57","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0451","0.0358","","","0.0884","0.0944","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231824","8.6335","0.0002","13.3739","0.0003","13.2075","0.0002","90","","94.6615","0.0009","90","","1519.94","0.05","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0565","0.0413","","","0.1061","0.1169","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231825","8.2852","0.0002","17.2551","0.0003","10.3985","0.0002","90","","94.987","0.0008","90","","1480.96","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.046","0.0358","","","0.09","0.0968","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231826","8.2946","0.0001","17.2836","0.0003","10.4035","0.0002","90","","94.9878","0.0007","90","","1485.8","0.04","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0466","0.0366","","","0.0927","0.0999","","","","","","0.99","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231827","8.3144","0.0001","17.3484","0.0003","10.4141","0.0002","90","","94.9784","0.0007","90","","1496.48","0.04","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0504","0.0373","","","0.0984","0.1078","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231828","8.3607","0.0002","17.4896","0.0003","10.441","0.0002","90","","95.0136","0.0008","90","","1520.9","0.05","260","2","260","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.061","0.0407","","","0.1046","0.1182","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231829","8.3365","0.0001","17.4149","0.0003","10.4268","0.0002","90","","94.9907","0.0008","90","","1508.02","0.04","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0559","0.0394","","","0.1021","0.1142","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231830","8.383","0.0002","17.5599","0.0003","10.4546","0.0002","90","","95.04","0.0009","90","","1533.02","0.05","297","2","297.15","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0702","0.043","","","0.1136","0.1322","","","","","","0.988","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231831","7.735","0.0003","17.5816","0.0007","11.0299","0.0004","90","","99.364","0.002","90","","1480.01","0.1","174.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F2 N O2 -","- C18 H14 B F2 N O2 -","- C72 H56 B4 F8 N4 O8 -","4","1","","Sóvári, Dénes; Kormos, Attila; Demeter, Orsolya; Dancsó, András; Keserű, György Miklós; Milen, Mátyás; Ábrányi-Balogh, Péter","Synthesis and fluorescent properties of boroisoquinolines, a new family of fluorophores","RSC Advances","2018","8","67","38598","","10.1039/C8RA08241C","","","1.54187","CuKα","","","0.0507","","","","0.0665","","","","","","6.953","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231832","12.1184","0.0006","8.1766","0.0004","16.5924","0.0009","90","","93.697","0.003","90","","1640.67","0.14","293.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B F2 N O3 S -","- C17 H16 B F2 N O3 S -","- C68 H64 B4 F8 N4 O12 S4 -","4","1","","Sóvári, Dénes; Kormos, Attila; Demeter, Orsolya; Dancsó, András; Keserű, György Miklós; Milen, Mátyás; Ábrányi-Balogh, Péter","Synthesis and fluorescent properties of boroisoquinolines, a new family of fluorophores","RSC Advances","2018","8","67","38598","","10.1039/C8RA08241C","","","1.54187","CuKα","","","0.1597","","","","0.1982","","","","","","3.595","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231833","17.9784","0.0012","11.4346","0.0008","24.4647","0.0017","90","","92.082","0.002","90","","5026","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl2 N8 Ni O12 -","- C40 H36 Cl2 N8 Ni O12 -","- C160 H144 Cl8 N32 Ni4 O48 -","4","0.5","","Jiang, Zhi-Qiang; Li, Yu-Feng; Zhu, Xue-Jun; Lu, Jin; Zhang, Lei; Wen, Tian","Ni(ii)-based coordination polymers for efficient electrocatalytic oxygen evolution reaction","RSC Advances","2018","8","67","38562","","10.1039/C8RA07492E","","","0.71073","MoKα","","0.1455","0.1221","","","0.3875","0.4153","","","","","","1.265","","","","has coordinates","212001","2020-10-21","18:00:00",""
"7231853","6.9631","0.001","10.2646","0.0014","11.2511","0.0015","74.472","0.006","81.297","0.006","70.974","0.006","730.66","0.18","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C30 H52 O6 -","2","2","","Zhang, Jiaozhen; Wang, Yongjie; Zhu, Rongxiu; Li, Yi; Li, Yuelan; Qiao, Yanan; Zhou, Jinchuan; Lou, Hongxiang","Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and their anti-diabetic nephropathy potential","RSC Advances","2018","8","68","39091","","10.1039/C8RA08125E","","","1.54178","CuKα","","0.0447","0.0382","","","0.0908","0.0955","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231854","10.056","0.0004","8.2456","0.0004","17.0806","0.0008","90","","90.025","0.002","90","","1416.28","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H52 O6 -","- C30 H52 O6 -","- C60 H104 O12 -","2","1","","Zhang, Jiaozhen; Wang, Yongjie; Zhu, Rongxiu; Li, Yi; Li, Yuelan; Qiao, Yanan; Zhou, Jinchuan; Lou, Hongxiang","Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and their anti-diabetic nephropathy potential","RSC Advances","2018","8","68","39091","","10.1039/C8RA08125E","","","1.54178","CuKα","","0.1536","0.1302","","","0.3005","0.3291","","","","","","1.243","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231855","7.7798","0.0004","17.9098","0.0012","12.7302","0.0008","90","","94.587","0.0019","90","","1768.08","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.0563","0.0435","","","0.1069","0.1207","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231856","12.8375","0.0008","8.1485","0.0005","20.2456","0.0012","90","","90.298","0.002","90","","2117.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C96 H108 N12 O20 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.0637","0.0457","","","0.1167","0.1359","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231857","7.1185","0.0005","13.5982","0.001","15.5981","0.0008","90","","93.308","0.005","90","","1507.36","0.17","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.1346","0.0629","","","0.1588","0.2042","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231858","8.3151","0.0005","11.9751","0.0008","17.8122","0.0011","90","","97.805","0.001","90","","1757.2","0.19","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.0518","0.0419","","","0.1349","0.1517","","","","","","0.762","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231859","13.4519","0.0006","7.3467","0.0003","24.5273","0.0013","90","","98.731","0.004","90","","2395.87","0.19","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.1159","0.075","","","0.2203","0.2542","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231860","9.856","0.0012","17.574","0.002","14.1176","0.0015","90","","93.648","0.004","90","","2440.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.0751","0.0487","","","0.1187","0.1427","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231861","20.549","0.003","20.549","0.003","15.79","0.003","90","","90","","90","","6667.5","1.9","190","2","189.99","","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","[Co4 Cl (C40 H44 S4 O4) (C16 H9 N3 O4)2](CH3)4N","","","- C72 H62 Cl Co4 N6 O12 S4 -","- C72 H62 Cl Co4 N6 O12 S4 -","- C144 H124 Cl2 Co8 N12 O24 S8 -","2","0.25","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0944","0.0509","","","0.0948","0.1091","","","","","","1.037","","","","has coordinates,has disorder","212173","2020-10-21","18:00:00",""
"7231862","11.5257","0.0002","21.7684","0.0004","20.6414","0.0004","90","","92.715","0.001","90","","5173.03","0.16","190","2","190","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C76 H74 Cl Fe4 N7 O12 S4 -","- C72 H62 Cl Fe4 N6 O12 S4 -","- C144 H124 Cl2 Fe8 N12 O24 S8 -","2","0.5","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0643","0.0446","","","0.1123","0.122","","","","","","0.946","","","","has coordinates","212173","2020-10-21","18:00:00",""
"7231863","11.5232","0.0002","21.9302","0.0004","20.4472","0.0004","90","","93.037","0.001","90","","5159.87","0.16","190","2","190","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co4 Cl (C40 H44 S4 O4) (C16 H9 N3 O4)2](CH3)4N","","","- C76 H74 Cl Co4 N7 O12 S4 -","- C72 H62 Cl Co4 N6 O12 S4 -","- C144 H124 Cl2 Co8 N12 O24 S8 -","2","0.5","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0522","0.0378","","","0.087","0.0925","","","","","","1.013","","","","has coordinates","212173","2020-10-21","18:00:00",""
"7231873","19.53","0.002","6.034","0.0005","21.523","0.002","90","","105.189","0.002","90","","2447.8","0.4","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br Cl2 F3 N5 O S2 -","- C22 H15 Br Cl2 F3 N5 O S2 -","- C88 H60 Br4 Cl8 F12 N20 O4 S8 -","4","1","","Wu, Qi-Fan; Zhao, Bin; Fan, Zhi-Jin; Zhao, Jia-Bao; Guo, Xiao-Feng; Yang, Dong-Yan; Zhang, Nai-Lou; Yu, Bin; Kalinina, Tatiana; Glukhareva, Tatiana","Design, synthesis and fungicidal activity of isothiazole–thiazole derivatives","RSC Advances","2018","8","69","39593","","10.1039/C8RA07619G","","","0.71073","MoKα","","0.0397","0.0309","","","0.082","0.0845","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231874","5.8865","0.0002","14.2293","0.0007","16.8469","0.0008","75.358","0.004","87.692","0.003","82.114","0.004","1352.35","0.11","296.4","0.7","296.4","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N8 O9 -","- C25 H25 N9 O9 -","- C50 H50 N18 O18 -","2","1","","Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao","Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies","RSC Advances","2018","8","69","39394","","10.1039/C8RA07495J","","x-ray","1.54184","CuKα","","0.0649","0.0561","","","0.1539","0.1672","","","","","","1.031","","","","has coordinates","212195","2020-10-21","18:00:00",""
"7231875","7.124","0.0004","12.8626","0.0005","16.043","0.0007","95.365","0.004","90.472","0.004","101.742","0.004","1432.44","0.12","296.31","0.1","296.31","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29.41 N9 O9.5 -","- C27 H28.222 N9 O9.5 -","- C54 H56.444 N18 O19 -","2","1","","Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao","Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies","RSC Advances","2018","8","69","39394","","10.1039/C8RA07495J","","x-ray","1.54184","CuKα","","0.0881","0.0751","","","0.2198","0.2378","","","","","","1.035","","","","has coordinates,has disorder","212195","2020-10-21","18:00:00",""
"7231876","10.7261","0.0005","12.0465","0.0006","14.5821","0.0005","83.686","0.003","74.878","0.004","79.38","0.004","1783.97","0.14","296.31","0.1","296.31","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N9 O10 S -","- C27 H31 N9 O10 S -","- C54 H62 N18 O20 S2 -","2","1","","Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao","Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies","RSC Advances","2018","8","69","39394","","10.1039/C8RA07495J","","x-ray","1.54184","CuKα","","0.0735","0.0644","","","0.1897","0.2026","","","","","","1.057","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7231877","35.48","0.03","14.931","0.011","8.852","0.006","90","","99.42","0.02","90","","4626","6","103","0.2","103","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 F12 N2 -","- C26 H11 F12 N2 -","- C208 H88 F96 N16 -","8","1","","Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio","Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes","RSC Advances","2018","8","69","39269","","10.1039/C8RA09040H","","","0.71073","MoKα","","0.1687","0.0988","","","0.2209","0.2659","","","","","","1.031","","","","has coordinates","212196","2020-10-21","18:00:00",""
"7231878","9.235","0.016","9.638","0.017","11.86","0.02","78.93","0.03","76.86","0.05","73.21","0.04","975","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 Cl6 N4 -","- C46 H32 Cl6 N4 -","- C46 H32 Cl6 N4 -","1","0.5","","Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio","Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes","RSC Advances","2018","8","69","39269","","10.1039/C8RA09040H","","","0.71073","MoKα","","0.0964","0.0618","","","0.1379","0.1604","","","","","","1.107","","","","has coordinates","212196","2020-10-21","18:00:00",""
"7231879","8.7406","0.0011","15.369","0.002","16.406","0.002","90","","103.303","0.004","90","","2144.8","0.5","103","0.2","103","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 N4 -","- C52 H46 N4 -","- C104 H92 N8 -","2","0.5","","Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio","Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes","RSC Advances","2018","8","69","39269","","10.1039/C8RA09040H","","","0.71073","MoKα","","0.0853","0.0611","","","0.1608","0.1848","","","","","","1.095","","","","has coordinates","212196","2020-10-21","18:00:00",""
"7231880","8.4081","0.0006","13.0237","0.0009","17.9996","0.0012","90","","103.022","0.002","90","","1920.4","0.2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Cl2 F8 N4 -","- C45.586 H25.172 Cl1.586 F8 N4 -","- C91.172 H50.344 Cl3.172 F16 N8 -","2","0.5","","Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio","Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes","RSC Advances","2018","8","69","39269","","10.1039/C8RA09040H","","","0.71073","MoKα","","0.0826","0.0566","","","0.1432","0.1716","","","","","","1.073","","","","has coordinates","212196","2020-10-21","18:00:00",""
"7231894","15.934","0.002","15.934","0.002","12.007","0.002","90","","90","","90","","3048.5","0.7","293","1","293","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H30 N2 O4 Ti -","- C32 H30 N2 O4 Ti -","- C128 H120 N8 O16 Ti4 -","4","0.5","","Miller, Maya; Tshuva, Edit Y.","Racemic <i>vs.</i> enantiopure inert Ti(iv) complex of a single diaminotetrakis(phenolato) ligand in anticancer activity toward human drug-sensitive and -resistant cancer cell lines.","RSC advances","2018","8","69","39731","39734","10.1039/c8ra08925f","","","0.71073","MoKα","","0.0726","0.071","","","0.1658","0.1666","","","","","","1.367","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231895","12.36164","0.00016","20.0007","0.0002","7.3527","0.00009","90","","102.617","0.0013","90","","1773.99","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N5 O3 -","- C20 H16 F N5 O3 -","- C80 H64 F4 N20 O12 -","4","1","","Masood, Mir Mohammad; Irfan, Mohammad; Khan, Parvez; Alajmi, Mohamed F.; Hussain, Afzal; Garrison, Jered; Rehman, Md. Tabish; Abid, Mohammad","1,2,3-Triazole–quinazolin-4(3H)-one conjugates: evolution of ergosterol inhibitor as anticandidal agent","RSC Advances","2018","8","69","39611","","10.1039/C8RA08426B","","x-ray","1.54184","CuKα","","0.0436","0.0399","","","0.1031","0.1074","","","","","","1.051","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231896","11.30704","0.00018","10.56186","0.00012","11.46113","0.00018","90","","115.006","0.0019","90","","1240.43","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Masood, Mir Mohammad; Irfan, Mohammad; Khan, Parvez; Alajmi, Mohamed F.; Hussain, Afzal; Garrison, Jered; Rehman, Md. Tabish; Abid, Mohammad","1,2,3-Triazole–quinazolin-4(3H)-one conjugates: evolution of ergosterol inhibitor as anticandidal agent","RSC Advances","2018","8","69","39611","","10.1039/C8RA08426B","","x-ray","1.54184","CuKα","","0.0488","0.0427","","","0.1155","0.1237","","","","","","1.037","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7231897","12.3071","0.0007","19.3724","0.0009","8.0124","0.0004","90","","90","","90","","1910.3","0.17","170","2","170","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H30 O3 -","- C22 H30 O3 -","- C88 H120 O12 -","4","1","","Anees, M.; Nayak, S.; Afarinkia, K.; Vinader, V.","Control of the stereochemistry of C14 hydroxyl during the total synthesis of withanolide E and physachenolide C","RSC Advances","2018","8","69","39691","","10.1039/C8RA08540D","","","1.54178","CuKα","","0.0387","0.0363","","","0.0897","0.0915","","","","","","1.049","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231900","6.0888","0.0008","12.5645","0.0017","17.867","0.002","90","","90","","90","","1366.9","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Tone, Masaya; Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Shibatomi, Kazutaka; Iwasa, Seiji","Highly stereoselective spirocyclopropanation of various diazooxindoles with olefins catalyzed using Ru(ii)-complex","RSC Advances","2018","8","70","39865","","10.1039/C8RA09212E","","x-ray","0.71075","MoKα","","0.0228","0.0207","","","0.0481","0.0488","","","","","","0.991","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231904","11.1087","0.0011","22.604","0.002","12.1637","0.0012","90","","109.349","0.005","90","","2881.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-((1H-pyrrol-2-yl)methyleneamino)-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one","","- C33 H35 N5 O2 -","- C33 H35 N5 O2 -","- C132 H140 N20 O8 -","4","1","","Sarkar, Himadri Sekhar; Kundu, Shampa; Das, Sujoy; Maiti, Pulak Kumar; Mandal, Sukhendu; Sahoo, Prithidipa","2′-Deoxy-5-(hydroxymethyl)cytidine: estimation in human cancer cells with a simple chemosensor","RSC Advances","2018","8","70","39893","","10.1039/C8RA08391F","","","0.71073","MoKα","","0.1011","0.072","","","0.2089","0.2456","","","","","","1.671","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231910","9.7858","0.0003","9.3797","0.0002","21.3172","0.0005","90","","100.777","0.003","90","","1922.15","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H24 N8 Zn -","- C48 H24 N8 Zn -","- C96 H48 N16 Zn2 -","2","0.5","","Huang, Zhaodi; Zhang, Meixi; Lin, Huan; Ding, Shuo; Dong, Bin; Liu, Di; Wang, Hong; Dai, Fangna; Sun, Daofeng","Comparison of two water oxidation electrocatalysts by copper or zinc supermolecule complexes based on porphyrin ligand","RSC Advances","2018","8","70","40054","","10.1039/C8RA08338J","","","0.71073","MoKα","","0.0543","0.0446","","","0.1323","0.1403","","","","","","1.06","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231911","33.5945","0.0006","17.1635","0.0002","15.368","0.0002","90","","93.849","0.001","90","","8841.2","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 Cu N10 O2 -","- C48 H24 Cu N8 -","- C384 H192 Cu8 N64 -","8","2","","Huang, Zhaodi; Zhang, Meixi; Lin, Huan; Ding, Shuo; Dong, Bin; Liu, Di; Wang, Hong; Dai, Fangna; Sun, Daofeng","Comparison of two water oxidation electrocatalysts by copper or zinc supermolecule complexes based on porphyrin ligand","RSC Advances","2018","8","70","40054","","10.1039/C8RA08338J","","","1.54184","CuKα","","0.1328","0.1025","","","0.3421","0.3772","","","","","","1.132","","","","has coordinates","212275","2020-10-21","18:00:00",""
"7231947","10.3266","0.0002","10.3266","0.0002","10.3266","0.0002","90","","90","","90","","1101.21","0.04","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga5.7 Na8 Si40.3 -","- Ga5.7 Na8 Si40.3 -","- Ga5.7 Na8 Si40.3 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.0125","0.0118","","","0.0304","0.0309","","","","","","1.153","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231948","10.321","0.0004","10.321","0.0004","10.321","0.0004","90","","90","","90","","1099.42","0.07","302","2","302","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga5.39 Na8 Si40.61 -","- Ga5.388 Na8 Si40.612 -","- Ga5.388 Na8 Si40.612 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.019","0.0176","","","0.0427","0.0442","","","","","","1.248","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231949","10.321","0.0003","10.321","0.0003","10.321","0.0003","90","","90","","90","","1099.42","0.06","302","2","302","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga5.52 Na8 Si40.48 -","- Ga5.52 Na8 Si40.48 -","- Ga5.52 Na8 Si40.48 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.0127","0.012","","","0.0307","0.0311","","","","","","1.214","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231950","10.302","0.0002","10.302","0.0002","10.302","0.0002","90","","90","","90","","1093.36","0.04","300","2","300","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga4.94 Na8 Si41.06 -","- Ga4.9416 Na8 Si41.0584 -","- Ga4.9416 Na8 Si41.0584 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.0102","0.01","","","0.0269","0.0269","","","","","","1.296","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231951","10.309","0.0002","10.309","0.0002","10.309","0.0002","90","","90","","90","","1095.59","0.04","300","2","300","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga5.06 Na8 Si40.94 -","- Ga5.064 Na8 Si40.936 -","- Ga5.064 Na8 Si40.936 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.0108","0.0106","","","0.0299","0.03","","","","","","1.232","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231955","8.3302","0.0009","23.634","0.003","12.8113","0.0014","90","","90","","90","","2522.2","0.5","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H20 Cr N2 O7 S -","- C29 H20 Cr N2 O7 S -","- C116 H80 Cr4 N8 O28 S4 -","4","0.5","","Tang, Jie; Yao, Pengfei; Wang, Lina; Bian, Hedong; Luo, Meiyi; Huang, Fuping","Schiff base complex conjugates of bovine serum albumin as artificial metalloenzymes for eco-friendly enantioselective sulfoxidation","RSC Advances","2018","8","71","40720","","10.1039/C8RA07113F","","","0.71073","MoKα","","0.0758","0.0476","","","0.1251","0.137","","","","","","1.061","","","","has coordinates","212396","2020-10-21","18:00:00",""
"7231956","9.7759","0.0006","14.3497","0.0009","10.8895","0.0007","90","","101.452","0.002","90","","1497.18","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4F-Fluorobenzoyl)-4-(4-nitrophenyl)piperazine","","- C17 H16 F N3 O3 -","- C17 H16 F N3 O3 -","- C68 H64 F4 N12 O12 -","4","1","","Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin","NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution","RSC Advances","2018","8","71","40921","","10.1039/C8RA09152H","","","0.71073","MoKα","","0.0609","0.0478","","","0.1175","0.1289","","","","","","1.084","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231957","6.575","0.0004","10.4009","0.0007","11.2622","0.0007","90","","101.313","0.002","90","","755.21","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4F-fluorobenzoyl)-piperazine","","- C18 H16 F2 N2 O2 -","- C18 H16 F2 N2 O2 -","- C36 H32 F4 N4 O4 -","2","0.5","","Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin","NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution","RSC Advances","2018","8","71","40921","","10.1039/C8RA09152H","","","0.71073","MoKα","","0.0879","0.0492","","","0.1326","0.1647","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231958","7.842","0.003","25.3","0.009","8.024","0.003","90","","94.67","0.01","90","","1586.7","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Bromobenzoyl)-4-(4-nitrophenyl)piperazine","","- C17 H16 Br N3 O3 -","- C17 H16 Br N3 O3 -","- C68 H64 Br4 N12 O12 -","4","1","","Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin","NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution","RSC Advances","2018","8","71","40921","","10.1039/C8RA09152H","","","0.71073","MoKα","","0.0929","0.0598","","","0.098","0.1067","","","","","","1.079","","","","has coordinates,has disorder","301866","2025-08-22","21:38:23",""
"7231959","17.379","0.002","11.788","0.002","17.806","0.002","90","","116.727","0.007","90","","3258.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Bromobenzoyl)-4-(4-nitrophenyl)piperazine","","- C17 H16 Br N3 O3 -","- C17 H16 Br N3 O3 -","- C136 H128 Br8 N24 O24 -","8","1","","Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin","NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution","RSC Advances","2018","8","71","40921","","10.1039/C8RA09152H","","","0.71073","MoKα","","0.0886","0.0387","","","0.0802","0.0964","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231960","7.6209","0.0015","12.073","0.002","21.125","0.004","90","","96.86","0.03","90","","1929.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O3 S -","- C22 H17 N3 O3 S -","- C88 H68 N12 O12 S4 -","4","1","","Lin, Yan; Wang, Qijun; Wu, Yang; Wang, Chang; Jia, Hao; Zhang, Cheng; Huang, Jiaxing; Guo, Hongchao","Pd-catalyzed [3 + 2] cycloaddition of vinylcyclopropanes with 1-azadienes: synthesis of 4-cyclopentylbenzo[e][1,2,3]oxathiazine 2,2-dioxides","RSC Advances","2018","8","71","40798","","10.1039/C8RA08881K","","","0.71073","MoKα","","0.0846","0.0732","","","0.1259","0.1307","","","","","","1.225","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231961","8.2461","0.0016","10.3","0.002","12.879","0.003","104.17","0.03","99.94","0.03","105.52","0.03","988.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O3 S -","- C22 H17 N3 O3 S -","- C44 H34 N6 O6 S2 -","2","1","","Lin, Yan; Wang, Qijun; Wu, Yang; Wang, Chang; Jia, Hao; Zhang, Cheng; Huang, Jiaxing; Guo, Hongchao","Pd-catalyzed [3 + 2] cycloaddition of vinylcyclopropanes with 1-azadienes: synthesis of 4-cyclopentylbenzo[e][1,2,3]oxathiazine 2,2-dioxides","RSC Advances","2018","8","71","40798","","10.1039/C8RA08881K","","","0.71073","MoKα","","0.0642","0.0567","","","0.1206","0.1254","","","","","","1.101","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231970","22.672","0.002","14.2171","0.0016","6.8368","0.0006","90","","90","","90","","2203.7","0.4","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Ganesan, Balaji; Senadi, Gopal Chandru; Guo, Bing-Chun; Hung, Min-Yuan; Lin, Wei-Yu","A copper(ii)-catalyzed annulative formylation of o-alkynylanilines with DMF: a single-step strategy for 3-formyl indoles","RSC Advances","2018","8","71","40968","","10.1039/C8RA09214A","","x-ray","0.71073","MoKα","","0.0749","0.0519","","","0.1215","0.1344","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231996","23.712","0.002","9.1025","0.0008","10.4517","0.0009","90","","105.353","0.001","90","","2175.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(1<i>E</i>)-[(2<i>Z</i>)-2-[(ethylsulfanyl)({[(1<i>E</i>)-(ethylsulfanyl)[(<i>Z</i>)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene]methyl]disulfanyl})methylidene]hydrazin-1-ylidene]methyl]phenol","","- C20 H22 N4 O2 S4 -","- C20 H22 N4 O2 S4 -","- C80 H88 N16 O8 S16 -","4","0.5","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0507","0.0378","","","0.0933","0.097","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7231997","8.5293","0.0004","9.3173","0.0005","12.6067","0.0006","100.635","0.001","108.831","0.001","94.334","0.001","922.06","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H16 Cl2 N2 O2 S3 Sn -","- C12 H16 Cl2 N2 O2 S3 Sn -","- C24 H32 Cl4 N4 O4 S6 Sn2 -","2","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0369","0.0291","","","0.0624","0.0632","","","","","","0.917","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7231998","7.7957","0.0007","24.197","0.002","12.3003","0.001","90","","101.157","0.001","90","","2276.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N4 O2 S4 Sn -","- C20 H20 N4 O2 S4 Sn -","- C80 H80 N16 O8 S16 Sn4 -","4","0.5","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0413","0.0351","","","0.1012","0.1032","","","","","","1.146","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7231999","7.7764","0.001","24.056","0.003","12.1308","0.0015","90","","104.462","0.002","90","","2197.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Mn N4 O2 S4 -","- C20 H20 Mn N4 O2 S4 -","- C80 H80 Mn4 N16 O8 S16 -","4","0.5","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.052","0.0399","","","0.1065","0.1104","","","","","","1.099","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232000","8.0281","0.0017","10.127","0.002","11.104","0.002","110.554","0.003","110.25","0.003","94.785","0.003","771.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 N2 O4 S2 V -","- C12 H17 N2 O4 S2 V -","- C24 H34 N4 O8 S4 V2 -","2","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0634","0.0464","","","0.1225","0.1311","","","","","","1.026","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232001","10.0788","0.0008","9.8639","0.0008","14.4725","0.0011","90","","90.69","0.001","90","","1438.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Mo N2 O4 S2 -","- C11 H14 Mo N2 O4 S2 -","- C44 H56 Mo4 N8 O16 S8 -","4","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0341","0.0278","","","0.0733","0.0752","","","","","","1.083","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232002","18.999","0.011","8.978","0.005","23.512","0.014","90","","90","","90","","4011","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H17 I2 N3 O2 S2 Sn -","- C13 H17 I2 N3 O2 S2 Sn -","- C104 H136 I16 N24 O16 S16 Sn8 -","8","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0497","0.0362","","","0.0844","0.0884","","","","","","1.081","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232003","7.3596","0.0003","9.2464","0.0006","14.1726","0.0005","104.253","0.004","90.749","0.003","111.461","0.005","864.24","0.08","293","","293","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C15 H18 N4 O4 S -","- C15 H18 N4 O4 S -","- C30 H36 N8 O8 S2 -","2","1","","Khan, M. Musawwer; Saigal, Saigal; Khan, Sarfaraz; Shareef, Sumbulunnisan; Sahoo, Subash C.","Microwave irradiation: a green approach for the synthesis of functionalized N-methyl-1,4-dihydropyridines","RSC Advances","2018","8","73","41892","","10.1039/C8RA09155B","","x-ray","0.71073","MoKα","","0.0618","0.048","","","0.1331","0.1447","","","","","","1.0504","","","","has coordinates","301866","2025-08-22","21:38:23",""
"7232023","9.6682","0.0006","10.0302","0.0006","10.911","0.0007","104.893","0.002","93.675","0.002","110.003","0.002","947.3","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Gd2 N2 O21","","","- C24 H40 Cl2 Gd2 N2 O21 -","- C24 H30 Cl2 Gd2 N2 O21 -","- C24 H30 Cl2 Gd2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0184","0.0164","","","0.0427","0.0436","","","","","","1.061","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232024","9.6686","0.0006","10.0202","0.0004","10.8727","0.0004","104.824","0.003","93.71","0.005","109.569","0.005","946.31","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Eu2 N2 O21","","","- C24 H40 Cl2 Eu2 N2 O21 -","- C24 H30 Cl2 Eu2 N2 O21 -","- C24 H30 Cl2 Eu2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0723","0.0603","","","0.1298","0.1427","","","","","","1.052","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232025","9.6763","0.0004","10.0338","0.0004","10.9853","0.0005","105.072","0.003","93.691","0.003","110.107","0.004","953.1","0.08","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 N2 O21 Tb2","","","- C24 H40 Cl2 N2 O21 Tb2 -","- C24 H26 Cl2 N2 O21 Tb2 -","- C24 H26 Cl2 N2 O21 Tb2 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0505","0.0415","","","0.0804","0.0865","","","","","","1.06","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232026","9.6947","0.0004","10.0533","0.0005","11.0032","0.0007","105.039","0.005","93.823","0.004","110.052","0.004","958.48","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Dy2 N2 O21","","","- C24 H40 Cl2 Dy2 N2 O21 -","- C24 H30 Cl2 Dy2 N2 O21 -","- C24 H30 Cl2 Dy2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0565","0.0467","","","0.084","0.0922","","","","","","1.051","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232028","23.9678","0.0004","11.62457","0.00018","12.7424","0.0002","90","","90","","90","","3550.23","0.1","113.15","","113.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H17 Fe2 O5 P S2 -","- C12 H17 Fe2 O5 P S2 -","- C96 H136 Fe16 O40 P8 S16 -","8","1","","Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao","The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction","RSC Advances","2018","8","74","42262","","10.1039/C8RA08016J","","x-ray","0.71073","MoKα","","0.017","0.0157","","","0.041","0.0415","","","","","","1.034","","","","has coordinates","212672","2020-10-21","18:00:00",""
"7232029","11.163","0.002","14.887","0.003","23.086","0.004","90","","98.118","0.003","90","","3798.1","1.2","128","2","128","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 Fe2 O8 P S2 -","- C12 H17 Fe2 O8 P S2 -","- C96 H136 Fe16 O64 P8 S16 -","8","1","","Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao","The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction","RSC Advances","2018","8","74","42262","","10.1039/C8RA08016J","","","0.71073","MoKα","","0.0768","0.0754","","","0.2036","0.2048","","","","","","1.078","","","","has coordinates,has disorder","212672","2020-10-21","18:00:00",""
"7236516","8.615","0.0015","26.006","0.004","10.0175","0.0017","90","","113.667","0.002","90","","2055.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O6 Zn -","- C22 H20 N2 O6 Zn -","- C88 H80 N8 O24 Zn4 -","4","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.098","0.0487","","","0.0975","0.1112","","","","","","0.978","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236517","18.696","0.002","14.2482","0.0017","16.1635","0.0019","90","","90","","90","","4305.7","0.9","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H22 N2 O5 Zn -","- C23 H22 N2 O5 Zn -","- C184 H176 N16 O40 Zn8 -","8","0.5","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0951","0.0706","","","0.1929","0.2037","","","","","","1.088","","","","has coordinates,has disorder","236249","2020-10-21","18:00:00",""
"7236518","8.482","0.007","10.245","0.008","15.967","0.012","99.022","0.01","93.005","0.01","114.363","0.009","1237.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N2 O5 Zn -","- C24 H22 N2 O5 Zn -","- C48 H44 N4 O10 Zn2 -","2","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0543","0.0396","","","0.0851","0.0905","","","","","","0.974","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236519","16.637","0.0016","9.2945","0.0009","24.212","0.002","90","","94.95","0.001","90","","3730","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O5 Zn -","- C19 H19 N O5 Zn -","- C152 H152 N8 O40 Zn8 -","8","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0403","0.0321","","","0.0809","0.0848","","","","","","1.065","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236520","9.5648","0.0016","11.4815","0.0016","11.5626","0.0016","100.477","0.002","100.808","0.002","113.57","0.002","1095.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O6 Zn -","- C23 H22 N2 O6 Zn -","- C46 H44 N4 O12 Zn2 -","2","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.062","0.0401","","","0.0872","0.095","","","","","","1.025","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236521","7.9207","0.0007","15.0598","0.0013","17.216","0.0014","90","","99.077","0.001","90","","2027.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O7 Zn -","- C20 H20 N2 O7 Zn -","- C80 H80 N8 O28 Zn4 -","4","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0402","0.0331","","","0.0885","0.0923","","","","","","1.095","","","","has coordinates,has disorder","236249","2020-10-21","18:00:00",""
"7236522","7.9431","0.0007","15.5159","0.0014","17.2037","0.0016","90","","99.569","0.001","90","","2090.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O7 Zn -","- C21 H22 N2 O7 Zn -","- C84 H88 N8 O28 Zn4 -","4","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.046","0.0339","","","0.0821","0.0891","","","","","","1.026","","","","has coordinates,has disorder","236249","2020-10-21","18:00:00",""
"7236523","13.5909","0.0016","15.3382","0.0018","19.411","0.002","90","","90","","90","","4046.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O5 Zn -","- C22 H20 N2 O5 Zn -","- C176 H160 N16 O40 Zn8 -","8","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.1146","0.0457","","","0.0914","0.1153","","","","","","0.987","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7237095","14.713","0.008","13.235","0.007","20.922","0.008","90","","121.21","0.03","90","","3484","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 B2 Co F8 N12.5 O4 -","- C25 H24 B2 Co F8 N12.5 O4 -","- C100 H96 B8 Co4 F32 N50 O16 -","4","1","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.1872","0.0973","","","0.2694","0.3368","","","","","","1.035","","","","has coordinates","237381","2020-10-21","18:00:00",""
"7237096","14.286","0.008","13.218","0.007","23.014","0.009","90","","128.37","0.02","90","","3407","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl2 Co N12 O14 -","- C25 H24 Cl2 Co N12 O14 -","- C100 H96 Cl8 Co4 N48 O56 -","4","1","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.2278","0.1234","","","0.3048","0.3605","","","","","","1.25","","","","has coordinates,has disorder","237381","2020-10-21","18:00:00",""
"7237097","8.472","0.01","9.58","0.011","27.64","0.03","90","","99.09","0.03","90","","2215","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl Co N10 O4 -","- C22 H20 Cl Co N10 O4 -","- C88 H80 Cl4 Co4 N40 O16 -","4","1","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.223","0.1643","","","0.3939","0.4227","","","","","","1.132","","","","has coordinates","237381","2020-10-21","18:00:00",""
"7237098","14.826","0.004","13.366","0.004","18.433","0.005","90","","102.714","0.007","90","","3563.2","1.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cl2 Co N12 O13 -","- C25 H24 Cl2 Co N12 O13 -","- C100 H96 Cl8 Co4 N48 O52 -","4","1","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.2189","0.1001","","","0.2484","0.3089","","","","","","1.044","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7237099","12.408","0.002","19.368","0.003","9.808","0.0016","90","","90","","90","","2357","0.7","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C26 H22 Cl0 Co N8 O2 -","- C26 H22 Co N8 O2 -","- C104 H88 Co4 N32 O8 -","4","0.5","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.0435","0.0427","","","0.1522","0.153","","","","","","1.098","","","","has coordinates","237381","2020-10-21","18:00:00",""
"7237100","21.7483","0.0019","9.205","0.0007","13.1074","0.0015","90","","123.852","0.007","90","","2179.2","0.4","296","2","296","2","","","","","","","","4","C 1","C 1","1","","","","- C23 H27 N2 O4 -","- C23 H27 N2 O4 -","- C92 H108 N8 O16 -","4","","","Murthy, V. Narayana; Nikumbh, Satish P.; Tadiparthi, Krishnaji; Madhubabu, M. V.; Jammula, Subba Rao; Rao, L. Vaikunta; Raghunadh, Akula","Amberlite-15 promoted an unprecedented aza Michael rearrangement for one pot synthesis of dihydroquinazolinone compounds","RSC Advances","2018","8","40","22331","","10.1039/C8RA03308K","","","0.71073","MoKα","","0.0606","0.0513","","","0.1483","0.159","","","","","","1.029","","","","has coordinates","237384","2020-10-21","18:00:00",""
"7237101","11.2243","0.0006","15.3677","0.0007","13.7853","0.0006","90","","112.65","0.006","90","","2194.5","0.2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br Cu N2 Se -","- C21 H24 Br Cu N2 Se -","- C84 H96 Br4 Cu4 N8 Se4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0674","0.0556","","","0.1715","0.2135","","","","","","1.0298","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237102","11.0627","0.0005","15.3677","0.0006","13.7074","0.0006","90","","113.378","0.005","90","","2139.06","0.18","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl Cu N2 S -","- C21 H24 Cl Cu N2 S -","- C84 H96 Cl4 Cu4 N8 S4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0656","0.0506","","","0.145","0.17","","","","","","1.0623","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237103","16.4174","0.0002","16.4174","0.0002","22.1831","0.0004","90","","90","","90","","5979.03","0.15","298","","298","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C21 H33 B Cu F4 N6 Se3 -","- C21 H33 B Cu F4 N6 Se3 -","- C168 H264 B8 Cu8 F32 N48 Se24 -","8","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.0478","0.0395","","","0.1024","0.112","","","","","","1.0445","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237104","8.3465","0.0002","19.333","0.0005","13.4761","0.0003","90","","96.742","0.002","90","","2159.51","0.09","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl2 Cu2 N4 Se2 -","- C42 H48 Cl2 Cu2 N4 Se2 -","- C84 H96 Cl4 Cu4 N8 Se4 -","2","0.5","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0544","0.0462","","","0.1341","0.1519","","","","","","1.0365","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237105","19.5751","0.0008","16.3426","0.0004","20.4314","0.001","90","","113.637","0.005","90","","5987.8","0.5","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cu F6 N4 P Se2 -","- C54 H72 Cu F6 N4 P Se2 -","- C216 H288 Cu4 F24 N16 P4 Se8 -","4","0.5","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C–N and C–Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.0665","0.0542","","","0.1516","0.1697","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237106","11.5024","0.0012","15.4127","0.0014","13.6155","0.0016","90","","112.632","0.013","90","","2227.9","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cu I N2 S -","- C21 H24 Cu I N2 S -","- C84 H96 Cu4 I4 N8 S4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.1159","0.0851","","","0.2421","0.322","","","","","","1.0724","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237107","11.5428","0.0005","15.3915","0.0008","13.7448","0.0007","90","","112.364","0.005","90","","2258.2","0.2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cu I N2 Se -","- C21 H24 Cu I N2 Se -","- C84 H96 Cu4 I4 N8 Se4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0623","0.049","","","0.1323","0.1511","","","","","","1.0257","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237108","11.2063","0.0002","15.38","0.0003","13.6241","0.0003","90","","112.809","0.002","90","","2164.53","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br Cu N2 S -","- C21 H24 Br Cu N2 S -","- C84 H96 Br4 Cu4 N8 S4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0517","0.0429","","","0.1159","0.126","","","","","","1.0347","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237109","9.8486","0.0004","10.772","0.0003","8.097","0.0003","90","","103.735","0.004","90","","834.44","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Cu I N2 Se -","- C5 H7 Cu I N2 Se -","- C20 H28 Cu4 I4 N8 Se4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","0.71073","MoKα","","0.0572","0.0443","","","0.1237","0.1395","","","","","","1.0069","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237110","26.6333","0.0012","16.1396","0.0006","18.2784","0.0008","90","","110.048","0.005","90","","7380.9","0.6","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H60 Cu4 I4 N2 P4 -","- C76 H60 Cu4 I4 N2 P4 -","- C304 H240 Cu16 I16 N8 P16 -","4","0.5","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.0917","0.079","","","0.2104","0.2419","","","","","","1.0268","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237111","8.4401","0.0002","18.318","0.0004","14.4474","0.0003","90","","98.023","0.002","90","","2211.79","0.09","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cu F6 N4 P Se2 -","- C42 H48 Cu F6 N4 P Se2 -","- C84 H96 Cu2 F12 N8 P2 Se4 -","2","0.5","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C–N and C–Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0588","0.0472","","","0.1319","0.1522","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:33",""
"8000236","26.4855","0.0012","34.211","0.002","21.8681","0.001","90","","90","","90","","19814.6","1.7","240","2","240","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Au28(SR)20","","","- C120 H220 Au28 S20 -","- C120 H220 Au28 S20 -","- C480 H880 Au112 S80 -","4","0.25","","Higaki, Tatsuya; Liu, Chong; Chen, Yuxiang; Zhao, Shuo; Zeng, Chenjie; Jin, Renxi; Wang, Shuxin; Rosi, Nathaniel L.; Jin, Rongchao","Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16](-) to [Au28(SR)20](0).","The journal of physical chemistry letters","2017","8","4","866","870","10.1021/acs.jpclett.6b03061","","","1.54178","CuKα","","0.2558","0.1684","","","0.3882","0.4629","","","","","","1.529","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000237","21.8001","0.0005","9.0461","0.0002","19.7453","0.0005","90","","128.902","0.001","90","","3030.3","0.13","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C144 H128 O32 S8 -","8","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.05","0.0354","","","0.0831","0.0905","","","","","","1.025","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000238","13.5107","0.0004","8.4433","0.0002","13.5676","0.0004","90","","109.311","0.001","90","","1460.64","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","12","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0605","0.0404","","","0.0933","0.107","","","","","","1.066","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000239","8.6197","0.0005","13.3862","0.0008","13.6456","0.0009","90","","102.746","0.0019","90","","1535.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O S -","- C20 H20 O S -","- C80 H80 O4 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0584","0.0381","","","0.0885","0.0975","","","","","","1.042","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000240","6.2782","0.0002","11.0313","0.0003","20.7739","0.0007","90","","90","","90","","1438.73","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","204","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0423","0.037","","","0.0877","0.0906","","","","","","1.073","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000241","18.464","0.003","22.363","0.003","22.409","0.003","91.741","0.002","104.271","0.003","106.193","0.002","8563","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Br6 Ir N2 -","- C32 H72 Br6 Ir N2 -","- C256 H576 Br48 Ir8 N16 -","8","4","","Carbery, William P.; Verma, Archana; Turner, Daniel B.","Spin-Orbit Coupling Drives Femtosecond Nonadiabatic Dynamics in a Transition Metal Compound.","The journal of physical chemistry letters","2017","8","6","1315","1322","10.1021/acs.jpclett.7b00130","","","0.71073","MoKα","","0.1253","0.0536","","","0.123","0.1606","","","","","","1.001","","","","has coordinates","194761","2020-10-21","18:00:00",""
"8000243","15.6182","0.0004","15.6182","0.0004","22.4337","0.0007","90","","90","","120","","4739.1","0.2","328","2","328","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Cl9 N3 Sb2 -","- C15 H36 Cl9 N3 Sb2 -","- C90 H216 Cl54 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0438","0.0376","","","0.117","0.1284","","","","","","1.065","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000244","15.8386","0.0004","15.8386","0.0004","22.839","0.0007","90","","90","","120","","4961.8","0.2","338","2","338","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Br3 Cl6 N3 Sb2 -","- C15 H36 Br3 Cl6 N3 Sb2 -","- C90 H216 Br18 Cl36 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.1497","0.1345","","","0.3039","0.3124","","","","","","1.67","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000245","15.9951","0.0004","15.9951","0.0004","23.1124","0.0007","90","","90","","120","","5120.9","0.2","335","2","335","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H36 Br9 N3 Sb2 -","- C15 H36 Br9 N3 Sb2 -","- C90 H216 Br54 N18 Sb12 -","6","0.166667","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0604","0.0504","","","0.1491","0.1621","","","","","","1.097","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000246","15.2807","0.0007","15.2807","0.0007","23.3345","0.0011","90","","90","","120","","4718.6","0.4","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C15 H36 Br3 Cl6 N3 Sb2 -","- C15 H36 Br3 Cl6 N3 Sb2 -","- C90 H216 Br18 Cl36 N18 Sb12 -","6","0.333333","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","0.71073","MoKα","","0.0714","0.0693","","","0.1943","0.1976","","","","","","1.251","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000247","15.6943","0.0002","15.6943","0.0002","23.5279","0.0004","90","","90","","120","","5018.77","0.12","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C15 H36 Br9 N3 Sb2 -","- C15 H36 Br9 N3 Sb2 -","- C90 H216 Br54 N18 Sb12 -","6","0.333333","","Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua","Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.","The journal of physical chemistry letters","2017","8","9","2012","2018","10.1021/acs.jpclett.7b00673","","","1.54184","CuKα","","0.0807","0.0798","","","0.1871","0.1897","","","","","","1.079","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000248","8.3018","0.0017","9.4214","0.0019","16.293","0.003","83.45","0.03","77.59","0.03","85.73","0.03","1234.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C56 H52 N4 O12 S2 -","2","1","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.1368","0.0663","","","0.1365","0.1699","","","","","","1.013","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000249","8.1571","0.0016","9.862","0.002","15.677","0.003","87.7","0.03","88.68","0.03","66.35","0.03","1154.3","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl N2 O2 -","- C28 H25 Cl N2 O2 -","- C56 H50 Cl2 N4 O4 -","2","1","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.1004","0.0641","","","0.2256","0.2477","","","","","","1.124","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000250","7.5957","0.0015","5.7108","0.0011","22.899","0.005","90","","95.95","0.03","90","","988","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing","Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals.","The journal of physical chemistry letters","2017","8","13","3068","3072","10.1021/acs.jpclett.7b01454","","","0.71073","MoKα","","0.0596","0.0428","","","0.1269","0.138","","","","","","1.081","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000251","31.056","0.006","7.663","0.002","5.996","0.001","90","","94.18","0.03","90","","1423.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 O4 S4 -","- C60 H80 O4 S4 -","- C60 H80 O4 S4 -","1","0.25","","Bedoya-Martinez, Natalia; Schrode, Benedikt; Jones, Andrew O.F.; Salzillo, Tommaso; Ruzie, Christian; Demitri, Nicola; Geerts, Yves H.; Venuti, Elisabetta; Della Valle, Raffaele Guido; Zojer, Egbert; Resel, Roland","DFT-assisted polymorph identification from lattice Raman fingerprinting","The Journal of Physical Chemistry Letters","2017","8","","3690","3395","10.1021/acs.jpclett.7b01634","","","0.7","Synchrotron","","0.1465","0.0951","","","0.2388","0.2835","","","","","","1.014","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000252","21.2829","0.0007","21.539","0.0007","28.6908","0.001","99.7673","0.0017","111.114","0.0014","105.563","0.0015","11288.6","0.7","120","","119.99","","","","","","","","","4","P -1","-P 1","2","","","","- C150 H275 Au43 S25 -","- C150 H259 Au43 S25 -","- C300 H518 Au86 S50 -","2","1","","Dong, Hongwei; Liao, Lingwen; Wu, Zhikun","Two-Way Transformation between fcc- and Nonfcc-Structured Gold Nanoclusters.","The journal of physical chemistry letters","2017","8","21","5338","5343","10.1021/acs.jpclett.7b02459","","","1.54178","CuKα","","0.3605","0.1402","","","0.3168","0.3924","","","","","","1.007","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000253","7.1913","0.0003","7.3327","0.0003","11.7139","0.0004","87.608","0.001","85.333","0.001","68.993","0.001","574.67","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O6 -","- C24 H22 Cl2 N2 O6 -","- C24 H22 Cl2 N2 O6 -","1","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0475","0.0398","","","0.1165","0.1233","","","","","","1.038","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000254","7.6272","0.0003","26.0909","0.001","6.9724","0.0003","90","","113.451","0.001","90","","1272.9","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 N2 O8 -","- C24 H26 Cl2 N2 O8 -","- C48 H52 Cl4 N4 O16 -","2","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0677","0.0411","","","0.1026","0.1174","","","","","","1.029","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000255","14.1818","0.0003","9.4204","0.0002","15.9624","0.0004","90","","98.268","0.001","90","","2110.38","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 N2 O4 -","- C24 H18 Cl2 N2 O4 -","- C96 H72 Cl8 N8 O16 -","4","1","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","1.54178","CuKα","","0.0599","0.0381","","","0.1085","0.1257","","","","","","0.86","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000256","14.1952","0.0003","9.4314","0.0002","15.9716","0.0004","90","","98.211","0.001","90","","2116.37","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 N2 O4 -","- C24 H18 Cl2 N2 O4 -","- C96 H72 Cl8 N8 O16 -","4","1","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","1.54178","CuKα","","0.0435","0.036","","","0.1056","0.118","","","","","","0.676","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000257","19.3111","0.0007","7.5939","0.0003","13.4476","0.0005","90","","98.064","0.001","90","","1952.54","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C96 H80 N8 O24 -","4","0.5","","Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin","Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism.","The journal of physical chemistry letters","2017","8","21","5450","5455","10.1021/acs.jpclett.7b02452","","","0.71073","MoKα","","0.0716","0.0474","","","0.1299","0.1552","","","","","","1.045","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000356","6.1071","0.0002","7.0985","0.0002","10.6748","0.0002","90","","95.017","0.002","90","","460.99","0.02","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H19 Co N2 O5 -","- C14 H19 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0527","0.0501","","","0.1293","0.1316","","","","","","1.055","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000357","6.1054","0.0005","7.0878","0.0008","10.6638","0.0006","90","","95.094","0.007","90","","459.64","0.07","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0786","0.068","","","0.1663","0.1719","","","","","","1.116","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000358","6.1006","0.0002","7.0942","0.0002","10.6767","0.0002","90","","95.052","0.002","90","","460.28","0.02","273","","273","","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0536","0.0498","","","0.1254","0.1286","","","","","","1.064","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000359","6.0947","0.0002","7.0901","0.0002","10.6768","0.0002","90","","95.09","0.002","90","","459.55","0.02","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0539","0.0511","","","0.1306","0.1326","","","","","","1.093","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000360","6.0947","0.0001","7.0944","0.0001","10.6845","0.0002","90","","95.116","0.002","90","","460.139","0.013","230","2","230","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","1.5405","","","0.1043","0.1013","","","0.2647","0.2689","","","","","","1.068","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000361","6.0709","0.0005","7.0907","0.0005","10.6664","0.0007","89.559","0.005","95.237","0.006","92.593","0.006","456.77","0.06","220","2","220","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0874","0.0671","","","0.1544","0.1623","","","","","","0.979","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000362","6.0538","0.0005","7.0936","0.0005","10.6609","0.0007","89.535","0.005","95.383","0.006","93.181","0.006","455.09","0.06","210","2","210","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0825","0.0625","","","0.1445","0.1529","","","","","","0.982","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000363","6.047","0.0005","7.0945","0.0005","10.6587","0.0007","89.505","0.005","95.443","0.006","93.326","0.006","454.43","0.06","205","2","205","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0848","0.0655","","","0.1519","0.1603","","","","","","0.983","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000364","6.0405","0.0005","7.0949","0.0005","10.6576","0.0008","89.484","0.006","95.509","0.006","93.428","0.006","453.82","0.06","200","2","200","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0799","0.0612","","","0.1417","0.148","","","","","","0.998","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000365","6.0307","0.0006","7.097","0.0006","10.6526","0.0009","89.391","0.007","95.588","0.008","93.571","0.007","452.88","0.07","190","2","190","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0989","0.07","","","0.1591","0.1713","","","","","","0.967","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000366","6.0076","0.0005","7.0951","0.0005","10.6488","0.0007","89.126","0.005","95.853","0.006","93.642","0.006","450.6","0.06","160","2","160","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.075","0.0582","","","0.1288","0.1341","","","","","","0.97","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000367","5.9924","0.0005","7.0915","0.0005","10.6453","0.0007","88.987","0.005","96.008","0.006","93.603","0.006","448.97","0.06","130","2","130","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0747","0.0578","","","0.1295","0.135","","","","","","0.991","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000368","5.9793","0.0005","7.0877","0.0005","10.6426","0.0007","88.93","0.005","96.108","0.006","93.52","0.006","447.59","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.0743","0.0578","","","0.1295","0.1348","","","","","","0.984","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000369","6.0764","0.0007","7.0959","0.0005","10.704","0.004","90","","95.196","0.017","90","","459.63","0.18","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H17 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2213","0.1941","","","0.4343","0.4739","","","","","","2.288","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000370","6.0655","0.0006","7.074","0.0006","10.725","0.011","90","","95.28","0.03","90","","458.2","0.5","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H20 Co N2 O5 -","- C14 H20 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1978","0.171","","","0.3964","0.4412","","","","","","1.793","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000371","6.0509","0.0006","7.0817","0.0007","10.657","0.01","90","","95.19","0.03","90","","454.8","0.4","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H16 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1567","0.1323","","","0.3184","0.3363","","","","","","1.396","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000372","6.006","0.002","7.0672","0.0008","10.657","0.006","89.92","0.02","95.2","0.06","92.71","0.02","450","0.3","296","2","293","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2342","0.1823","","","0.3995","0.4299","","","","","","1.543","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000373","5.9847","0.0014","7.0514","0.0017","10.628","0.005","90.03","0.04","95.46","0.03","93.21","0.02","445.8","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1964","0.1497","","","0.3563","0.3821","","","","","","1.307","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000374","5.9454","0.0012","7.058","0.002","10.616","0.005","90.27","0.04","95.74","0.06","94.245","0.016","442","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1399","0.1241","","","0.2996","0.3149","","","","","","1.349","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000375","5.958","0.006","7.069","0.003","10.669","0.006","90","0.09","95.21","0.17","92.76","0.06","447","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.3178","0.2571","","","0.5378","0.5806","","","","","","2.044","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000376","5.9012","0.0003","7.0666","0.0003","10.625","0.003","90.369","0.011","96.279","0.012","94.712","0.004","438.88","0.13","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2813","0.2116","","","0.4565","0.5278","","","","","","2.143","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000377","5.8752","0.0014","7.0561","0.0016","10.609","0.003","90.36","0.03","96.55","0.03","94.743","0.019","435.38","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2381","0.185","","","0.3976","0.43","","","","","","1.442","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000378","5.8426","0.0011","7.0452","0.0014","10.585","0.003","90.43","0.02","96.62","0.02","94.933","0.016","431.13","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2539","0.1898","","","0.4138","0.5033","","","","","","1.995","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000379","5.8059","0.0011","7.0187","0.0007","10.556","0.003","90.42","0.02","96.96","0.03","95.048","0.012","425.26","0.15","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2303","0.1713","","","0.3955","0.4355","","","","","","1.521","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000380","5.7562","0.001","6.9942","0.0013","10.529","0.004","90.32","0.03","97.38","0.03","95.055","0.015","418.69","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.176","0.1385","","","0.3299","0.3563","","","","","","1.309","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000381","5.73","0.002","6.986","0.003","10.533","0.009","89.56","0.05","97.77","0.05","95.04","0.03","416.1","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.3017","0.2494","","","0.5072","0.5613","","","","","","1.825","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000382","5.7216","0.0011","6.9763","0.0008","10.501","0.012","89.95","0.03","97.84","0.04","94.966","0.012","413.7","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2971","0.2433","","","0.5368","0.5804","","","","","","2.268","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000383","5.6799","0.0008","6.9641","0.0007","10.479","0.003","88.725","0.013","98.587","0.015","94.902","0.011","408.34","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1653","0.1587","","","0.3735","0.3847","","","","","","1.777","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000384","5.639","0.004","6.945","0.003","10.465","0.006","88.69","0.04","98.8","0.06","94.7","0.05","403.6","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2381","0.2052","","","0.4536","0.4837","","","","","","1.871","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000385","5.6089","0.0011","6.9221","0.0006","10.434","0.003","87.77","0.013","99.6","0.02","94.788","0.011","397.91","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1897","0.1866","","","0.4297","0.433","","","","","","2.18","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000386","5.571","0.003","6.8976","0.0008","10.411","0.004","87.263","0.018","100.31","0.04","94.672","0.019","392.1","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.1677","0.1595","","","0.3833","0.3966","","","","","","1.948","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000387","6.115","0.005","7.1238","0.0011","10.661","0.019","90","","94.83","0.15","90","","462.8","0.9","296","2","296","2","","","","","","","","5","P 1 m 1","P -2y","6","AMU1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","1","0.5","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.2117","0.1667","","","0.3775","0.4331","","","","","","1.501","","","","has coordinates","236652","2020-10-21","18:00:00",""
"8000388","5.744","0.003","6.981","0.004","10.557","0.016","90.04","0.1","97.92","0.1","94.77","0.04","417.8","0.7","296","2","296","2","","","","","","","","5","P 1","P 1","1","AMU-1","Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O","","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","- C14 H16 Co N2 O5 -","1","1","","Andrzejewski, Michał; Katrusiak, Andrzej","Piezochromic Porous Metal-Organic Framework.","The journal of physical chemistry letters","2017","8","1","279","284","10.1021/acs.jpclett.6b02458","","","0.71073","MoKα","","0.347","0.2711","","","0.5372","0.5818","","","","","","1.795","","","","has coordinates","236652","2020-10-21","18:00:00",""
"9004063","7.6","","6.07","","9.44","","90","","90","","90","","435.486","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Descloizite","- H O5 Pb V Zn -","- H O5 Pb V Zn -","- H4 O20 Pb4 V4 Zn4 -","4","1","","Qurashi, M. M.; Barnes, W. H.","The structures of the minerals of the descloizite and adelite groups: V - descloizite and conichalcite (part 3). The structure of descloizite","The Canadian Mineralogist","1964","8","","23","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9005264","8.531","","13.007","","7.179","","90","","116","","90","","715.981","","","","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Ba0.014 Fe0.003 K0.789 Na0.16 O8 Si3 -","- Al Ba0.014 Fe0.003 K0.789 Na0.16 O8 Si3 -","- Al4 Ba0.056 Fe0.012 K3.156 Na0.64 O32 Si12 -","4","0.5","","Kimata, M.; Shimizu, M.; Saito, S.","High-temperature crystal structure of sanidine Part II. The crystal structure of sanidine at 935 C Sample: T = 23 C, feldspar","European Journal of Mineralogy","1996","8","","15","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005265","8.677","","13.016","","7.184","","90","","115.73","","90","","730.913","","","","1208.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Ba0.014 Fe0.003 K0.789 Na0.16 O8 Si3 -","- Al Ba0.014 Fe0.003 K0.789 Na0.16 O8 Si3 -","- Al4 Ba0.056 Fe0.012 K3.156 Na0.64 O32 Si12 -","4","0.5","","Kimata, M.; Shimizu, M.; Saito, S.","High-temperature crystal structure of sanidine Part II. The crystal structure of sanidine at 935 C Sample: T = 935 C, feldspar","European Journal of Mineralogy","1996","8","","15","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005266","13.698","","25.213","","22.66","","90","","90","","90","","7826.03","","","","","","","","","","","","","9","C m c a","-C 2ac 2","64","","","Gottardiite","- Al2.346 Ca0.605 Fe0.017 H34 K0.022 Mg0.391 Na0.316 O45.601 Si14.637 -","- Al2.346 Ca0.6052 Fe0.017 H23.2016 K0.0221 Mg0.391 Na0.3162 O45.6008 Si14.637 -","- Al18.768 Ca4.8416 Fe0.136 H185.613 K0.1768 Mg3.128 Na2.5296 O364.806 Si117.096 -","8","","","Alberti, A.; Vezzalini, G.; Galli, E.; Quartieri, S.","The crystal structure of gottardiite, a new natural zeolite Note: occupancies altered to match chemical formula","European Journal of Mineralogy","1996","8","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005267","9.291","","9.008","","5.149","","90","","98.7","","90","","425.979","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Reppiaite","- As2 H4 Ni5 O12 -","- As2 H4 Ni5 O12 -","- As4 H8 Ni10 O24 -","2","0.25","","Barbier, J.","Crystal structure of Ni5(AsO4)2(OH)4 and its comparison to other M5(XO4)2(OH)4 compounds","European Journal of Mineralogy","1996","8","","77","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005268","17.912","","18.474","","6.542","","90","","90","","90","","2164.79","","","","","","","","","","","","","4","C 1 1 21","","","","","Natrolite","- Al2 H3 O12 Si3 -","- Al2 H3 O12 Si3 -","- Al16 H24 O96 Si24 -","8","","","Stuckenschmidt, E.; Joswig, W.; Baur, W. H.","Flexibility and distortion of the collapsible framework of NAT topology: the crystal structure of H3O-natrolite","European Journal of Mineralogy","1996","8","","85","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005269","15.021","","8.6004","","16.4338","","90","","91.512","","90","","2122.29","","","","","","","","","","","","Synthetic","2","C 1","C 1","1","","","Tridymite","- O2 Si -","- O2 Si -","- O96 Si48 -","48","","","Graetsch, H.; Topalovic-Dierdorf I","29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1) Sample: superstructure","European Journal of Mineralogy","1996","8","","103","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005270","5.007","","8.6004","","8.2169","","90","","91.512","","90","","353.715","","","","","","","","","","","","Synthetic","2","C 1 c 1","C -2yc","9","","","Tridymite","- O2 Si -","- O2 Si -","- O16 Si8 -","8","2","","Graetsch, H.; Topalovic-Dierdorf I","29Si MAS NMR spectrum and superstructure of modulated tridymite L3-To(MX-1) Sample: average crystal structure","European Journal of Mineralogy","1996","8","","103","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005271","10.251","","13.447","","4.764","","90","","104.98","","90","","634.377","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Erythrite","- As2 Co2.01 Fe0.74 H16 Ni0.25 O16 -","- As2 Co2.01 Fe0.74 H16 Ni0.25 O16 -","- As4 Co4.02 Fe1.48 H32 Ni0.5 O32 -","2","0.25","","Wildner, M.; Giester, G.; Lengauer, C. L.; McCammon, C. A.","Structure and crystal chemistry of vivianite-type compounds: Crystal structures of erythrite and annabergite with a Mossbauer study of erythrite","European Journal of Mineralogy","1996","8","","187","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9005272","10.179","","13.309","","4.725","","90","","105","","90","","618.296","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Annabergite","- As2 H16 Mg0.36 Ni2.64 O16 -","- As2 H16 Mg0.36 Ni2.64 O16 -","- As4 H32 Mg0.72 Ni5.28 O32 -","2","0.25","","Wildner, M.; Giester, G.; Lengauer, C. L.; McCammon, C. A.","Structure and crystal chemistry of vivianite-type compounds: Crystal structures of erythrite and annabergite with a Mossbauer study of erythrite","European Journal of Mineralogy","1996","8","","187","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005273","5.353","","16.176","","21.95","","90","","94.6","","90","","1894.53","","","","","","","","","","","","","6","A 1 2/m 1","-A 2y","12","","","Nafertisite","- Fe8 H6 Na3 O43 Si12 Ti2 -","- Fe8 H6 Na3 O43 Si12 Ti2 -","- Fe16 H12 Na6 O86 Si24 Ti4 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Khomyakov, A. P.; Soboleva, S. V.; Belluso, E.; Pavese, A.","Nafertisite, a layer titanosilicate member of a polysomatic series including mica","European Journal of Mineralogy","1996","8","","241","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005274","9.725","","8.876","","5.263","","90","","108.53","","90","","430.745","","","","","","","","","","","","manganiferous quartzite in the United Arab Emirates","5","P 1 21/c 1","-P 2ybc","14","","","Kanoite","- Ca0.07 Mg1.131 Mn0.799 O6 Si2 -","- Ca0.07 Mg1.131 Mn0.799 O6 Si2 -","- Ca0.28 Mg4.524 Mn3.196 O24 Si8 -","4","1","","Gnos, E.; Armbruster, T.; Nyfeler, D.","Kanoite, donpeacorite and tirodite: Mn-Mg-silicates from a manganiferous quartzite in the United Arab Emirates Sample: pyroxene","European Journal of Mineralogy","1996","8","","251","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005275","9.083","","17.738","","10.209","","89.95","","124.58","","90","","1354.23","","","","","","","","","","","","Gibelsbach, Fiesch (Valais, Switzerland)","7","C 1","C 1","1","","","Epistilbite","- Al0.768 Ca0.333 H2.38 K0.024 Na0.038 O8 Si2.232 -","- Al0.768 Ca0.3335 H4 K0.0235 Na0.0375 O8 Si2.232 -","- Al6.144 Ca2.668 H32 K0.188 Na0.3 O64 Si17.856 -","8","","","Yang, P.; Armbruster, T.","(010) disorder, partial Si,Al ordering, and Ca distribution in triclinic (C1) epistilbite Sample: 293 K","European Journal of Mineralogy","1996","8","","263","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005276","9.68","","8.828","","5.268","","90","","106.16","","90","","432.39","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 25 C","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005277","9.703","","8.863","","5.281","","90","","106.24","","90","","436.032","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 300 C","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005278","9.717","","8.886","","5.288","","90","","106.29","","90","","438.263","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 500 C","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005279","9.733","","8.909","","5.296","","90","","106.35","","90","","440.652","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al0.6 Ca Mg0.7 O6 Si1.7 -","- Al2.4 Ca4 Mg2.8 O24 Si6.8 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di70CaTs30 at 700 C","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005280","9.697","","8.85","","5.306","","90","","106.39","","90","","436.849","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al Ca Mg0.5 O6 Si1.5 -","- Al Ca Mg0.5 O6 Si1.5 -","- Al4 Ca4 Mg2 O24 Si6 -","4","0.5","","Tribaudino, M.","High-temperature crystal chemistry of C2/c clinopyroxenes along the join CaMgSi2O6-CaAl2SiO6 Sample: Di50CaTs50 at 700 C Note: coordinates for O3 were altered by the author May, 2003","European Journal of Mineralogy","1996","8","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005281","15.6476","","15.6476","","7.3119","","90","","90","","120","","1550.44","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ge3 H2 O10 Pb3 -","- Ge3 H2 O10 Pb3 -","- Ge18 H12 O60 Pb18 -","6","0.333333","","Otto, H. H.; Brandt, H. J.","Crystal structure of Pb6[Ge6O18]2H2O, a lead cyclo-germanate similar to the mineral dioptase","European Journal of Mineralogy","1996","8","","301","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005282","5.295","","5.295","","5.372","","90","","90","","120","","130.436","","","","","","","","","","","","Cetine mine, Siena, Italy","3","P -3 1 m","-P 3 2","162","","","Rosiaite","- O6 Pb Sb2 -","- O6 Pb Sb2 -","- O6 Pb Sb2 -","1","0.0833333","","Basso, R.; Lucchetti, G.; Zefiro, L.; Palenzona, A.","Rosiaite, PbSb2O6, a new mineral from the Cetine mine, Siena, Italy","European Journal of Mineralogy","1996","8","","487","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005283","13.926","","6.958","","6.136","","90","","90","","90","","594.561","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca O8 P2 U -","- Ca O8 P2 U -","- Ca4 O32 P8 U4 -","4","0.5","","Dusausoy, Y.; Ghermani, N. E.; Podor, R.; Cuney, M.","Low-temperature ordered phase of CaU(PO4)2: synthesis and crystal structure","European Journal of Mineralogy","1996","8","","667","673","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005284","14.191","","2.851","","24.343","","90","","91.29","","90","","984.633","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","RUB-7","- Mn3 O6 Rb2.08 -","- Mn3 O6 Rb2.08 -","- Mn24 O48 Rb16.64 -","8","1","","Rziha, T.; Gies, H.; Rius, J.","RUB-7, a new synthetic manganese oxide structure type with a 2x4 tunnel","European Journal of Mineralogy","1996","8","","675","686","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005285","5.292","","9.187","","19.935","","90","","95.4","","90","","964.891","","","","","","","","","","","","Barbora mine, Krupka, Czech Republic","8","C 1 c 1","C -2yc","9","","","Zinnwaldite-2M1","- Al1.79 F0.91 Fe1.334 H1.09 K0.978 Li0.486 O11.09 Si3.11 -","- Al1.79 F0.91 Fe1.334 H1.09 K0.978 Li0.486 O11.09 Si3.11 -","- Al7.16 F3.64 Fe5.336 H4.36 K3.912 Li1.944 O44.36 Si12.44 -","4","1","","Rieder, M.; Hybler, J.; Smrcok, L.; Weiss, Z.","Refinement of the crystal structure of zinnwaldite 2M_1","European Journal of Mineralogy","1996","8","","1241","1248","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005286","17.358","","10.034","","5.946","","90","","90","","90","","1035.62","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","Shomiokite-(Y)","- C3 H6 Na3 O12 Y -","- C3 H6 Na3 O12 Y -","- C12 H24 Na12 O48 Y4 -","4","1","","Rastsvetaeva, R. K.; Pushcharovsky, D. Y.; Pekov, I. V.","Crystal structure of shomiokite-(Y), Na3Y(CO3)3*3H2O","European Journal of Mineralogy","1996","8","","1249","1255","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9005287","5.487","","9.506","","10.826","","90","","99.83","","90","","556.388","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Ferriannite-(Cs)","- Cs0.968 Fe3.824 H2 O12 Si3.124 -","- Cs0.968 Fe3.824 H2 O12 Si3.124 -","- Cs1.936 Fe7.648 H4 O24 Si6.248 -","2","0.25","","Mellini, M.; Weiss, Z.; Rieder, M.; Drabek, M.","Cs-ferriannite as a possible host for waste cesium: crystal structure and synthesis","European Journal of Mineralogy","1996","8","","1265","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005288","6.0885","","7.2832","","7.7234","","115.71","","88.85","","92.89","","308.186","","","","","","","","","","","","","4","P 1","P 1","1","","","","- Al3 H3 O10 Si2 -","- Al3 H3 O10 Si2 -","- Al6 H6 O20 Si4 -","2","2","","Daniels, P.; Wunder, B.","Al3Si2O7(OH)3, phase Pi (formerly piezotite): Crystal structure of a synthetic high-pressure silicate rediscovered","European Journal of Mineralogy","1996","8","","1283","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005767","8.0806","","8.0806","","8.0806","","90","","90","","90","","527.632","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Ishii, M.; Hiraishi, J.; Yamanaka, T.","Structure and lattice vibrations of Mg-Al spinel solid solution Sample: Stoichiometric MgO.Al2O3","Physics and Chemistry of Minerals","1982","8","","64","68","10.1007/BF00309015","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005768","8.0878","","8.0878","","8.0878","","90","","90","","90","","529.043","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Spinel","- Al2.401 Mg0.398 O4 -","- Al2.401 Mg0.398 O4 -","- Al19.208 Mg3.184 O32 -","8","0.0416667","","Ishii, M.; Hiraishi, J.; Yamanaka, T.","Structure and lattice vibrations of Mg-Al spinel solid solution Sample: Nonstoichiometric MgO.3Al2O3","Physics and Chemistry of Minerals","1982","8","","64","68","10.1007/BF00309015","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9009689","9.464","","9.464","","9.464","","90","","90","","90","","847.665","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Carrollite","- Co2 Cu S4 -","- Co2 Cu S4 -","- Co16 Cu8 S32 -","8","0.0416667","","Riedel, E.; Horvath, E.","Kationen-anionen-abstande in kupfer- und chrom-thiospinellen","Materials Research Bulletin","1973","8","","973","982","10.1016/0025-5408(73)90082-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009690","9.464","","9.464","","9.464","","90","","90","","90","","847.665","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Carrollite","- Co2 Cu S4 -","- Co2 Cu S4 -","- Co16 Cu8 S32 -","8","0.0416667","","Riedel, E.; Horvath, E.","Kationen-anionen-abstande in kupfer- und chrom-thiospinellen","Materials Research Bulletin","1973","8","","973","982","10.1016/0025-5408(73)90082-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009723","3.796","","3.796","","16.382","","90","","90","","120","","204.433","","","","","","","","","","","","Kosaka mine, Akita Prefecture, Japan","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Ohmasa, M.; Suzuki, M.; Takeuchi, Y.","A refinement of the crystal structure of covellite, CuS","Mineralogical Journal","1977","8","","311","319","10.2465/minerj.8.311","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009889","11.34","","20.096","","6.034","","90","","90","","90","","1375.08","","","","","","","","","","","","Synthetic","5","F d d 2","F 2 -2d","43","","","Pirssonite","- C2 H4 Ca Na2 O8 -","- C2 H4 Ca Na2 O8 -","- C16 H32 Ca8 Na16 O64 -","8","0.5","","Dickens, B.; Brown, W. E.","The crystal structures of CaNa2(CO3)2*5(H2O), synthetic gaylussite, and CaNa2(CO3)2*2(H2O), synthetic pirssonite","Inorganic Chemistry","1969","8","","2093","2103","10.1021/ic50080a012","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9009890","14.361","","7.781","","11.209","","90","","127.84","","90","","989.154","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Gaylussite","- C2 H10 Ca Na2 O11 -","- C2 H10 Ca Na2 O11 -","- C8 H40 Ca4 Na8 O44 -","4","0.5","","Dickens, B.; Brown, W. E.","The crystal structures of CaNa2(CO3)2*5(H2O), synthetic gaylussite, and CaNa2(CO3)2*2(H2O), synthetic pirssonite","Inorganic Chemistry","1969","8","","2093","2103","10.1021/ic50080a012","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011638","4.11","","4.11","","4.11","","90","","90","","90","","69.427","","","","1.73","","","","3000","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Helium","","Helium","- He -","- He -","- He2 -","2","0.0208333","","Schuch, A. F.; Mills, R. L.","Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa Note: structure known as gamma phase","Physical Review Letters","1962","8","","469","470","10.1103/PhysRevLett.8.469","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011639","3.65","","3.65","","5.945","","90","","90","","120","","68.591","","","","1.73","","","","3000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Helium","","Helium","- He -","- He -","- He2 -","2","0.0833333","","Schuch, A. F.; Mills, R. L.","Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa","Physical Review Letters","1962","8","","469","470","10.1103/PhysRevLett.8.469","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011845","10.12","","11.39","","7.27","","91.33","","99.67","","111.83","","763.478","","","","","","","","","","","","Kol'skii Peninsula, Russia","8","P -1","-P 1","2","","","Rosenbuschite","- Ca7 F4 Mn Na5 O32 Si8 Ti Zr2 -","- Ca7 F4 Mn Na5 O32 Si8 Ti Zr2 -","- Ca7 F4 Mn Na5 O32 Si8 Ti Zr2 -","1","0.5","","Shibaeva, R. P.; Simonov, V. I.; Belov, N. V.","Crystal structure of the Ca,Na,Zr,Ti silicate rosenbuschite, Ca3.5Na2.5Zr(Ti,Mn,Nb)[Si2O7]2F2O(F,O) Locality: Kol'skii Peninsula, Russia","Soviet Physics Crystallography","1963","8","","406","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011888","11.71","","5.34","","8.13","","90","","95.58","","90","","505.971","","","","","","","","","","","","Franklin, New Jersey","5","P 1 21/c 1","-P 2ybc","14","","","Hodgkinsonite","- H2 Mn O6 Si Zn2 -","- H2 Mn O6 Si Zn2 -","- H8 Mn4 O24 Si4 Zn8 -","4","1","","Solov'eva, L. P.; Belov, N. V.","Crystal structure of hodgkinsonite Zn2Mn[SiO4](OH)2","Soviet Physics Doklady","1963","8","","867","870","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011889","2.96","","2.96","","2.96","","90","","90","","90","","25.934","","","","","","","","5000000","","","","Synthetic","1","P m -3 m","-P 4 2 3","221","Antimony","","Antimony","- Sb -","- Sb -","- Sb -","1","0.0208333","","Kabalkina, S. S.; Mylov, V. P.","Phase transitions in antimony at high pressures Sample: at P = 5 GPa Note: known as the high pressure phase of antimony","Soviet Physics Doklady","1964","8","","917","918","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011997","3.566986","","3.566986","","3.55986","","90","","90","","90","","45.293","","","","298.15","","","","","","","","unknown","1","F d -3 m :1","F 4d 2 3 -1d","227","Diamond","","Diamond","- C -","- C -","- C8 -","8","0.0416667","","Hom, T.; Kiszenick, W.; Post, B.","Accurate lattice constants from multiple reflection mesurements II. lattice constants of germanium, silicon and diamond Sample: at T = 25 C","Journal of Applied Crystallography","1975","8","","457","458","10.1107/S0021889875010965","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011998","5.430941","","5.430941","","5.430941","","90","","90","","90","","160.186","","","","298.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Silicon","","Silicon","- Si -","- Si -","- Si8 -","8","0.0416667","","Hom, T.; Kiszenick, W.; Post, B.","Accurate lattice constants from multiple reflection mesurements II. lattice constants of germanium, silicon and diamond Sample: at T = 25 C","Journal of Applied Crystallography","1975","8","","457","458","10.1107/S0021889875010965","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011999","5.65782","","5.65782","","5.65782","","90","","90","","90","","181.112","","","","298.15","","","","","","","","Synthetic","1","F d -3 m :1","F 4d 2 3 -1d","227","Germanium","","Germanium","- Ge -","- Ge -","- Ge8 -","8","0.0416667","","Hom, T.; Kiszenick, W.; Post, B.","Accurate lattice constants from multiple reflection mesurements II. lattice constants of germanium, silicon and diamond Sample: at T = 25 C","Journal of Applied Crystallography","1975","8","","457","458","10.1107/S0021889875010965","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012056","7.42","","13.399","","7.3845","","98.03","","90.88","","96.18","","722.403","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","","Lopezite","- Cr2 K2 O7 -","- Cr2 K2 O7 -","- Cr8 K8 O28 -","4","2","","Brunton, G.","Refinement of the structure of K2Cr2O7","Materials Research Bulletin","1973","8","","271","274","10.1016/0025-5408(73)90004-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012093","10.6","","8.92","","7.89","","90","","119.6","","90","","648.657","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Rankinite","- Ca3 O7 Si2 -","- Ca3 O7 Si2 -","- Ca12 O28 Si8 -","4","1","","Kusachi, I.; Henmi, C.; Kawahara, A.; Henmi, K.","The structure of rankinite","Mineralogical Journal","1975","8","","38","47","10.2465/minerj.8.38","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012094","10.557","","8.885","","7.858","","90","","119.586","","90","","640.969","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Rankinite","- Ca3 O7 Si2 -","- Ca3 O7 Si2 -","- Ca12 O28 Si8 -","4","1","","Saburi, S.; Kusachi, I.; Henmi, C.; Kawahara, A.; Henmi, K.; Kawada, I.","Refinement of the structure of rankinite","Mineralogical Journal","1976","8","","240","246","10.2465/minerj.8.240","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012095","6.992","","6.992","","16.567","","90","","90","","120","","701.419","","","","","","","","","","","","Dover Andalusite Mine, Nevada, USA","6","R -3 m :H","-R 3 2""","166","","","Svanbergite","- Al3 H6 O14 P S Sr -","- Al3 H6 O14 P S Sr -","- Al9 H18 O42 P3 S3 Sr3 -","3","0.0833333","","Kato, T.; Miura, Y.","The crystal structure of jarosite and svanbergite","Mineralogical Journal","1977","8","","419","430","10.2465/minerj.8.419","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012096","7.304","","7.304","","17.268","","90","","90","","120","","797.8","","","","","","","","","","","","Meadow Valley 1, Pinoche, Nevada, USA","5","R -3 m :H","-R 3 2""","166","","","Jarosite","- Fe3 H6 K O14 S2 -","- Fe3 H6 K O14 S2 -","- Fe9 H18 K3 O42 S6 -","3","0.0833333","","Kato, T.; Miura, Y.","The crystal structure of jarosite and svanbergite","Mineralogical Journal","1977","8","","419","430","10.2465/minerj.8.419","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012123","5.8675","","5.8675","","3.4581","","90","","90","","120","","103.104","","","","","","","","","","","","Synthetic","2","P -6 2 m","P -6 -2","189","","","Barringerite","- Fe2 P -","- Fe2 P -","- Fe6 P3 -","3","0.25","","Carlsson, B.; Golin, M.; Rundqvist, S.","Determination of the homogenity range and refinement of the crystal structure of Fe2P Locality: synthetic","Journal of Solid State Chemistry","1973","8","","57","67","10.1016/0022-4596(73)90021-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012951","12.49","","6.324","","10.069","","90","","90","","90","","795.318","","","","","","","","6300000","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","","Allan, D. R.; Nelmes, R. J.","The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa Sample: P = 6.3 GPa","Journal of Physics: Condensed Matter","1996","8","","2337","2363","10.1088/0953-8984/8/14/010","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012952","12.387","","6.311","","9.966","","90","","90","","90","","779.086","","","","","","","","8200000","","","","","4","P n a 21","P 2c -2n","33","","","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","","Allan, D. R.; Nelmes, R. J.","The structural pressure dependence of potassium titanyl phosphate (KTP) to 8 GPa Sample: P = 8.2 GPa","Journal of Physics: Condensed Matter","1996","8","","2337","2363","10.1088/0953-8984/8/14/010","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9014025","5.44505","","5.44503","","12.0495","","90","","90","","90","","357.249","","","","","","","","","","","","Yaogangxian, Hunan Province, China","3","I 41/a :1","I 4bw -1bw","88","","","Stolzite","- O4 Pb W -","- O4 Pb W -","- O16 Pb4 W4 -","4","0.25","","Xu, K.; Xue, J.; Ding, Y.; Lu, G.","Discovery of stolzite in China and refinement of its crystal structure","Acta Geologica Sinica","1995","8","","111","116","10.1111/j.1755-6724.1995.mp8001009.x","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""
"9014547","5.223","","9.047","","10.197","","90","","100.43","","90","","473.872","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","Celadonite","- Fe1.22 H2 K Mg0.78 O12 Si4 -","- Fe1.22 H2 K Mg0.78 O12 Si4 -","- Fe2.44 H4 K2 Mg1.56 O24 Si8 -","2","0.5","","Tsipurskij, S. I.; Drits, V. A.","Refining the crystallographic structure of celadonite","Mineralogiceskij Zhurnal","1986","8","","32","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014740","7.518","","10.521","","10.906","","90","","70.7","","90","","814.152","","","","","","","","","","","","Fuka, Okayama Prefecture, Japan","4","P 1 21/c 1","-P 2ybc","14","","","Cuspidine","- Ca4 F2 O7 Si2 -","- Ca4 F2 O7 Si2 -","- Ca16 F8 O28 Si8 -","4","1","","Saburi, S.; Kawahara, A.; Henmi, C.; Kusachi, I.; Kihara, K.","The refinement of the crystal structure of cuspidine","Mineralogical Journal","1977","8","","286","298","10.2465/minerj.8.286","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9016675","4.525","","5.088","","6.74","","90","","90","","90","","155.176","","","","","","","","","","","","Synthetic","2","P b n m","-P 2c 2ab","62","","","Cohenite","- C Fe3 -","- C Fe3 -","- C4 Fe12 -","4","0.5","","Lyashchenko, B. G.; Sorokin, L. M.","Determination of the position of carbon in cementite by the neutron diffraction method","Soviet Physics Crystallography","1963","8","","300","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017428","4.804","","5.781","","3.5817","","90","","90","","90","","99.471","","","","","","","","0","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017429","4.771","","5.756","","3.5663","","90","","90","","90","","97.937","","","","","","","","1700000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017430","4.751","","5.729","","3.5467","","90","","90","","90","","96.536","","","","","","","","3830000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017431","4.698","","5.667","","3.5088","","90","","90","","90","","93.417","","","","","","","","8100000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017432","4.603","","5.581","","3.4492","","90","","90","","90","","88.608","","","","","","","","17300000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017433","4.555","","5.524","","3.409","","90","","90","","90","","85.777","","","","","","","","24400000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017434","4.488","","5.471","","3.3734","","90","","90","","90","","82.83","","","","","","","","32000000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017435","4.404","","5.391","","3.3185","","90","","90","","90","","78.788","","","","","","","","46000000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017436","4.7885","","5.7782","","3.5821","","90","","90","","90","","99.113","","","","198.2","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017437","4.7893","","5.7775","","3.5795","","90","","90","","90","","99.045","","","","148.4","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017438","4.7834","","5.7767","","3.5789","","90","","90","","90","","98.893","","","","50.4","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017439","4.751","","5.723","","3.5501","","90","","90","","90","","96.527","","","","197","","","","3680000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017440","4.7446","","5.772","","3.5512","","90","","90","","90","","97.253","","","","116","","","","3640000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017762","9.49","","9.49","","6.4777","","90","","90","","120","","505.224","","","","","","","","","","","","Szklary pegmatite, Lower Silesia, Poland","9","P 63/m","-P 6c","176","","","Parafiniukite","- Ca2.33 Cl0.48 F0.11 H0.41 Mg0.03 Mn2.63 Na0.01 O12.41 P3 -","- Ca2.33 Cl0.48 F0.11 H0.41 Mg0.03 Mn2.63 Na0.01 O12.41 P3 -","- Ca4.66 Cl0.96 F0.22 H0.82 Mg0.06 Mn5.26 Na0.02 O24.82 P6 -","2","0.166667","","Pieczka, A.; Biagioni, C.; Golebiowska, B.; Jelen, P.; Pasero, M.; Sitarz, M.","Parafiniukite, Ca2Mn3(PO4)3Cl, a new member of the apatite supergroup from the Szklary pegmatite, Lower Silesia, Poland: description and crystal structure","Minerals","2018","8","","","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017763","22.052","","17.118","","19.354","","90","","90.474","","90","","7305.62","","","","","","","","","","","","Jachymov District, Bohemia, Czech Republic","6","P 1 c 1","P -2yc","7","","","Paddlewheelite","- C24 Ca10 Cu4 Mg2 O154.25 U8 -","- C24 Ca10 Cu4 Mg2 O154.25 U8 -","- C48 Ca20 Cu8 Mg4 O308.5 U16 -","2","1","","Olds, T. A.; Plasil, J.; Kampf, A. R.; Dal Bo, F.; Burns, P. C.","Paddlewheelite, a new uranyl carbonate from the Jachymov District, Bohemia, Czech Republic","Minerals","2018","8","","","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""