# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:31:51+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 22 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
"1000047","18.25099","0.004","8.814","0.001","5.181","0.001","90","","90","","90","","833.4","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimagnesium catena-disilicate","Enstatite","- Mg2 O6 Si2 -","- Mg2 O6 Si2 -","- Mg16 O48 Si16 -","8","1","","Yang, H X; Ghose, S","High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K","Physics and Chemistry of Minerals (Germany)","1995","22","","300","310","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000215","10.695","0.002","9.932","0.002","5.654","0.001","90","","118.53","0.02","90","","527.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium copper iron heptafluoride","","- Ba Cu F7 Fe -","- Ba Cu F7 Fe -","- Ba4 Cu4 F28 Fe4 -","4","0.5","","Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G","Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~","Revue de Chimie Minerale","1985","22","","74","87","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000216","10.695","0.002","9.932","0.002","5.654","0.001","90","","118.53","0.02","90","","527.7","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Barium copper iron fluoride","","- Ba Cu F7 Fe -","- Ba Cu F7 Fe -","- Ba4 Cu4 F28 Fe4 -","4","1","","Renaudin, J; Calage, Y; Samouel, M; Kozak, A de; Leblanc, M; Ferey, G","Complex copper II fluorides. II.- Crystal structure, magnetic properties and Moessbauer study of the partly disordered ferrimagnet BaCuFeF~7~","Revue de Chimie Minerale","1985","22","","74","87","","","","","","","0.0203","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000476","5.362","0.001","5.362","0.001","5.362","0.001","57.94","0.02","57.94","0.02","57.94","0.02","103.9","","","","","","","","","","","","","2","R -3 c :R","-P 3* 2n","167","","Iron trifluoride","","- F3 Fe -","- F3 Fe -","- F6 Fe2 -","2","0.166667","","Leblanc, M; Pannetier, J; Ferey, G; de Pape, R","Single crystal refinement of the structure of rhombohedral Fe F3","Revue de Chimie Minerale","1985","22","","107","114","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001013","7.529","0.004","7.529","0.004","8.194","0.008","90","","90","","120","","402.3","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Niobium rubidium titanium oxide (6/2/1/18)","","- Nb6 O18 Rb2 Ti -","- Nb5.999 O18 Rb2 Ti1.001 -","- Nb5.999 O18 Rb2 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001014","7.512","0.004","7.512","0.004","8.231","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rubidium tantalum titanium oxide (2/6/1/18)","","- O18 Rb2 Ta6 Ti -","- O18 Rb2 Ta5.999 Ti1.001 -","- O18 Rb2 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001015","7.533","0.004","7.533","0.004","8.189","0.008","90","","90","","120","","402.4","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium niobium titanium oxide (2/6/1/18)","","- Cs2 Nb6 O18 Ti -","- Cs2 Nb5.999 O18 Ti1.001 -","- Cs2 Nb5.999 O18 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001016","7.513","0.004","7.513","0.004","8.227","0.008","90","","90","","120","","402.2","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Caesium tantalum titanium oxide (2/6/1/18)","","- Cs2 O18 Ta6 Ti -","- Cs2 O18 Ta5.999 Ti1.001 -","- Cs2 O18 Ta5.999 Ti1.001 -","1","0.0833333","","Desgardin, G; Robert, C; Groult, D; Raveau, B","Une nouvelle famille structurale: les titanoniobates et titanotantalates A~2~ Nb~6~ Ti O~18~ et A~2~ Ta~6~ Ti O~18~","Journal of Solid State Chemistry","1977","22","","101","111","10.1016/0022-4596(77)90026-3","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001017","7.486","0.002","7.486","0.002","43.1","0.01","90","","90","","120","","2091.7","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Rubidium niobium tungsten oxide (12/30/3/90)","","- Nb30 O90 Rb12 W3 -","- Nb29.997 O90 Rb12 W3.003 -","- Nb29.997 O90 Rb12 W3.003 -","1","0.0277778","","Michel, C; Guyomarch, A; Raveau, B","Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les oxides A~12~ M~33~ O~90~ et A~12~ M~33~ O~90~ (H~2~ O)~12~","Journal of Solid State Chemistry","1977","22","","393","403","10.1016/0022-4596(77)90016-0","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001689","9.5219","0.0003","9.5219","0.0003","9.5219","0.0003","90","","90","","90","","863.3","","","","","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","Copper titanium iron(III) antimony oxide (3/0.96/0.98/1/9.12)","","- Cu3 Fe0.98 O9.12 Sb Ti0.96 -","- Cu3 Fe0.98 O9.12 Sb Ti0.96 -","- Cu3 Fe0.98 O9.12 Sb Ti0.96 -","1","0.0208333","","Mouron, P; Choisnet, J","A new ordered solid solution with a bixbyite structure: The compounds Cu2+x Ti2-x Fe2-x Sbx O9 (0< x < 1.4)","Materials Research Bulletin","1987","22","","1355","1362","10.1016/0025-5408(87)90300-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008696","3.8468","0.0001","3.8747","0.0001","11.7466","0.0005","90","","90","","90","","175.1","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Barium yttrium copper oxide (2/1/3/6.5)","","- Ba2 Cu3 O6.5 Y -","- Ba2 Cu3 O6.5 Y -","- Ba2 Cu3 O6.5 Y -","1","0.125","","Miraglia, S; Beech, F; Santoro, A; Tran Qui, D; Sunshine, S A; Murphy, D W","Neutron powder diffraction study of orthorhombic Ba2 Y Cu3 O6.5","Materials Research Bulletin","1987","22","","1733","1740","10.1016/0025-5408(87)90018-3","","","","","","0.0565","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008706","3.857","0.0001","3.857","0.0001","11.8194","0.0003","90","","90","","90","","175.8","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Barium yttrium copper oxide (2/1/3/6.1)","","- Ba2 Cu3 O6.072 Y -","- Ba2 Cu3 O6.072 Y -","- Ba2 Cu3 O6.072 Y -","1","0.0625","","Santoro, A; Miraglia, S; Beech, F; Sunshine, S A; Murphy, D W; Schneemeyer, L F; Waszcak, J V","The structure and properties of Ba2 Y Cu3 O6","Materials Research Bulletin","1987","22","","1007","1013","10.1016/0025-5408(87)90100-0","","","","","","0.0389","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008844","4.112","0.001","4.112","0.001","29.495","0.006","90","","90","","120","","431.9","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Diantimony telluride diselenide","","- Sb2 Se2 Te -","- Sb2 Se2 Te -","- Sb6 Se6 Te3 -","3","0.166667","","Andriamihaja, A; Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E","Evolution structurale de la solution solide Sb2 Te(3-x) Se(x) (O < X < 2) dans le systeme Sb2 Te3 - Sb2 Se3","Revue de Chimie Minerale","1985","22","","357","368","","","","","","","0.0502","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008955","5.9333","0.0009","5.9333","0.0009","33.116","0.007","90","","90","","120","","1009.6","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium zinc iron oxide (1/1.7/16.3/27)","","- Ba Fe16.27 O27 Zn1.73 -","- Ba Fe16.26 O27 Zn1.74 -","- Ba2 Fe32.52 O54 Zn3.48 -","2","0.0833333","","Collomb, A; Vallet-Regi, M","Le zinc dans le ferrite hexagonal de type W: Ba Zn2 Fe16 O27","Materials Research Bulletin","1987","22","","753","760","10.1016/0025-5408(87)90028-6","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010298","3.765","","3.765","","5.518","","90","","90","","90","","78.2","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Iron selenide","","- Fe Se -","- Fe Se -","- Fe2 Se2 -","2","0.125","","Haegg, G; Kindstroem, A L","Roentgenuntersuchungen am System Eisen - Selen.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","22","","453","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1010406","4.377","0.003","4.377","0.003","4.377","0.003","90","","90","","90","","83.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium cerium(IV) oxide","","- Ba Ce O3 -","- Ba Ce O3 -","- Ba Ce O3 -","1","0.0208333","","Hoffmann, A","Sauerstoffsaeuren des vierwertigen Cerium und Thorium","Naturwissenschaften","1934","22","","206","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010407","4.48","0.003","4.48","0.003","4.48","0.003","90","","90","","90","","89.9","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium thorium oxide","","- Ba O3 Th -","- Ba O3 Th -","- Ba O3 Th -","1","0.0208333","","Hoffmann, N","Sauerstoffsaeuren des vierwertigen Cerium und Thorium","Naturwissenschaften","1934","22","","206","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010514","3.113","","3.113","","4.981","","90","","90","","120","","41.8","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Aluminium nitride","","- Al N -","- Al N -","- Al2 N2 -","2","0.166667","","Ott, H","Das Gitter des Aluminiumnitrids (Al N).","Zeitschrift fuer Physik","1924","22","","201","214","10.1007/BF01328124","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010836","4.48","0.02","4.48","0.02","6.96","0.03","90","","90","","120","","121","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Calcium iodide","","- Ca I2 -","- Ca I2 -","- Ca I2 -","1","0.0833333","","Blum, H","Die Kristallstruktur des wasserfreien Magnesiumjodids und Calciumjodids.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","22","","298","304","","","","","","","","","","","","","","","","","","","","","","has coordinates","209441","2020-10-21","18:00:00",""
"1011360","12.01","0.01","12.01","0.01","12.01","0.01","90","","90","","90","","1732.3","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Magnesium phosphide","","- Mg3 P2 -","- Mg3 P2 -","- Mg48 P32 -","16","0.333333","","Stackelberg, M von; Paulus, R","Untersuchungen ueber die Kristallstruktur der Nitride und Phosphide zweiwertiger Metalle.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1933","22","","305","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011380","6.559","","6.559","","6.559","","90","","90","","90","","282.2","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Lithium antimonide","","- Li3 Sb -","- Li3 Sb -","- Li12 Sb4 -","4","0.0208333","","Brauer, G; Zintl, E","Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1937","22","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100168","6.5185","0.0009","7.5119","0.0011","10.7736","0.0009","94.351","0.01","106.036","0.008","109.334","0.014","470.21","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br2 N8 O4 Pd -","- C14 H12 Br2 N8 O4 Pd -","- C14 H12 Br2 N8 O4 Pd -","1","0.5","","Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Polyhedron","2003","22","","483","488","10.1016/S0277-5387(02)01374-8","","","0.71073","MoKα","","0.0953","0.072","","","0.1998","0.2209","","","","","","1.074","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1501651","13.874","0.003","20.663","0.002","7.3166","0.0015","90","","101.44","0.02","90","","2055.8","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 B10 Fe O S2 -","- C15 H20 B10 Fe O S2 -","- C60 H80 B40 Fe4 O4 S8 -","4","1","","Wu, Chunhui; Ye, Hongde; Bai, Wenjuan; Li, Qingning; Guo, Dadong; Lv, Gang; Yan, Hong; Wang, Xuemei","New potential anticancer agent of carborane derivatives: selective cellular interaction and activity of ferrocene-substituted dithio-o-carborane conjugates.","Bioconjugate chemistry","2011","22","1","16","25","10.1021/bc100158b","","","0.71073","MoKα","","0.0848","0.0539","","","0.1139","0.1255","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501652","20.463","0.004","8.495","0.0017","12.692","0.003","90","","107.52","0.03","90","","2103.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Al F N3 O7 -","- C19 H27 Al F N3 O7 -","- C76 H108 Al4 F4 N12 O28 -","4","1","","D'Souza, Christopher A; McBride, William J.; Sharkey, Robert M.; Todaro, Louis J.; Goldenberg, David M.","High-yielding aqueous 18F-labeling of peptides via Al18F chelation.","Bioconjugate chemistry","2011","22","9","1793","1803","10.1021/bc200175c","","","0.71073","MoKα","","0.1023","0.0601","","","0.1181","0.1374","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504339","4.6343","0.0011","14.097","0.003","23.29","0.005","90","","95.506","0.004","90","","1514.5","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-bis(2-(4-pyrenyl)ethyl)-2,2'-bipyridine","","- C46 H32 N2 -","- C46 H32 N2 -","- C92 H64 N4 -","2","0.5","","Tan, Xiaoli; Fenniri, Hicham; Gray, Murray R.","Pyrene Derivatives of 2,2′-Bipyridine as Models for Asphaltenes: Synthesis, Characterization, and Supramolecular Organization†","Energy & Fuels","2008","22","2","715","","10.1021/ef700395g","","","0.71073","MoKα","","0.1269","0.066","","","0.1521","0.1834","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504340","8.5639","0.0017","8.7313","0.0017","9.1486","0.0018","107.85","0.03","99.4","0.03","111.59","0.03","575.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-(2-pentynyl)-3-methyl-imidazolium dicyanamide","","- C11 H13 N5 -","- C11 H13 N5 -","- C22 H26 N10 -","2","1","","Schneider, Stefan; Hawkins, Tommy; Rosander, Michael; Vaghjiani, Ghanshyam; Chambreau, Steven; Drake, Gregory","Ionic Liquids as Hypergolic Fuels","Energy & Fuels","2008","22","4","2871","","10.1021/ef800286b","","","0.71073","MoKα","","0.041","0.0368","","","0.0976","0.1021","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507214","24.946","0.003","24.946","0.003","24.946","0.003","90","","90","","90","","15524","3","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite","- Al71 Na71 O384 Si121 -","- Al71.04 Na70.56 O384 Si120.96 -","- Al71.04 Na70.56 O384 Si120.96 -","1","0.00520833","","Seo, S.M.; Kim, G.H.; Lee, H.S.; Ko, S.-O.; Lee, O.S.; Kim, Y.H.; Kim, S.H.; Heo, N.H.; Lim, W.T.","Single-crystal structure of fully dehydrated sodium zeolite Y (FAU), Na 71 (Si121 Al71 O384) - FAU","Analytical Sciences: X-ray Structure Analysis Online","2006","22","","x209","x210","10.2116/analscix.22.x209","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1509963","9.87","","9.87","","9.87","","90","","90","","90","","961.505","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ag7 N O11","","- Ag7 N O8 -","- Ag7 N O8 -","- Ag28 N4 O32 -","4","0.0208333","","Zvonkova, Z.V.; Zhdanov, G.S.","The crystal structure of Ag7 N O11","Zhurnal Fizicheskoi Khimii","1948","22","","1284","1289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510029","7.689","","6.66","","6.379","","90","","90","","90","","326.661","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Ag3 (P Se4)","","- Ag3 P Se4 -","- Ag3 P Se4 -","- Ag6 P2 Se8 -","2","0.5","","Guo Guocong; Zhou Guowei; Huang Jinshun; Deng Lei; Dong Zhenchao; Ma Hongwei; Chen Wentong","Synthesis and structure of Ag3 P Se4","Jiegon Huaxue","2003","22","","161","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510066","7.795","","10","","6.78","","90","","90","","90","","528.501","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Ca3 -","- Au Ca3 -","- Au4 Ca12 -","4","0.5","","Fornasini, M.L.; Pani, M.; Merlo, F.","Structures of Ca3 Au, Ca5 Au2, Sr3 Au2, Ba3 Au2 and alloying behaviour of the alkaline earths with Cu, Ag, Au","Revue de Chimie Minerale","1985","22","","791","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510069","3.296","","3.296","","3.296","","90","","90","","90","","35.806","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Au (Cd0.5 Mg0.5)","","- Au Cd0.5 Mg0.5 -","- Au Cd0.5 Mg0.5 -","- Au Cd0.5 Mg0.5 -","1","0.0208333","","Ktada, K.; Matsuo, Y.; Minamigawa, S.","Phase relation of the Au Cd - Au Mg and Au Cd - Au Zn quasibinary alloys","Transactions of the Japan Institute of Metals","1981","22","","367","368","10.2320/matertrans1960.22.367","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510071","3.243","","3.243","","3.243","","90","","90","","90","","34.107","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Au (Cd0.5 Zn0.5)","","- Au Cd0.5 Zn0.5 -","- Au Cd0.5 Zn0.5 -","- Au Cd0.5 Zn0.5 -","1","0.0208333","","Katada, K.; Minamigawa, S.; Matsuo, Y.","Phase relation of the Au Cd - Au Mg and Au Cd - Au Zn quasibinary alloys","Transactions of the Japan Institute of Metals","1981","22","","367","368","10.2320/matertrans1960.22.367","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510092","8.619","","6.35","","12.169","","90","","95.72","","90","","662.701","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K (Au Cl4)","","- Au Cl4 K -","- Au Cl4 K -","- Au4 Cl16 K4 -","4","1","","Bembenek, E.; Jones, P.G.","Low-temperature redetermination of the structures of three gold compounds","Journal of Crystallographic and Spectroscopic Research","1992","22","","397","401","10.1007/BF01195399","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510094","7.237","","14.52","","6.091","","90","","95.99","","90","","636.555","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(P Cl3) (Au Cl)","","- Au Cl4 P -","- Au Cl4 P -","- Au4 Cl16 P4 -","4","1","","Bembenek, E.; Jones, P.G.","Low-temperature redetermination of the structures of three gold compounds","Journal of Crystallographic and Spectroscopic Research","1992","22","","397","401","10.1007/BF01195399","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510322","3.147","","3.147","","3.147","","90","","90","","90","","31.167","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Zn -","- Au Zn -","- Au Zn -","1","0.0208333","","Matsuo, Y.; Katada, K.; Minamigawa, S.","Phase relation of the Au Cd - Au Mg and Au Cd - Au Zn quasibinary alloys","Transactions of the Japan Institute of Metals","1981","22","","367","368","10.2320/matertrans1960.22.367","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510371","16.857","","6.809","","7.746","","90","","97.26","","90","","881.953","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Au2 Ca5 -","- Au2 Ca5 -","- Au8 Ca20 -","4","0.5","","Merlo, F.; Fornasini, M.L.; Pani, M.","Structures of Ca3 Au, Ca5 Au2, Sr3 Au2, Ba3 Au2 and alloying behaviour of the alkaline earths with Cu, Ag, Au","Revue de Chimie Minerale","1985","22","","791","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510430","4.012","","4.012","","4.012","","90","","90","","90","","64.578","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Au0.8 Cu0.2 -","- Au0.8 Cu0.2 -","- Au3.2 Cu0.8 -","4","0.0208333","","Lu Hsueh-Shan; Liang Ching-Kwei","The superlattice fomation and lattice spacing changes in copper-gold alloys","Wu Li Hsueh Pao (= Acta Physica Sinica)","1966","22","","669","697","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510468","9.604","","9.604","","18.36","","90","","90","","120","","1466.59","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Au2 Sr3 -","- Au2 Sr3 -","- Au18 Sr27 -","9","0.5","","Fornasini, M.L.; Merlo, F.; Pani, M.","Structures of Ca3 Au, Ca5 Au2, Sr3 Au2, Ba3 Au2 and alloying behaviour of the alkaline earths with Cu, Ag, Au","Revue de Chimie Minerale","1985","22","","791","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510491","3.965","","3.965","","3.965","","90","","90","","90","","62.335","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au3 Cu -","- Au3 Cu -","- Au3 Cu -","1","0.0208333","","Lu Hsueh-Shan; Liang Ching-Kwei","The superlattice formation and lattice spacing changes in copper-gold alloys","Chinese Journal of Physics (Peking) (English Translation)","1966","22","","505","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510597","3.724","","3.724","","3.724","","90","","90","","90","","51.645","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Au0.2 Cu0.8 -","- Au0.2 Cu0.8 -","- Au0.8 Cu3.2 -","4","0.0208333","","Liang Ching-Kwei; Lu Hsueh-Shan","The superlattice fomation and lattice spacing changes in copper-gold alloys","Wu Li Hsueh Pao (= Acta Physica Sinica)","1966","22","","669","697","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510660","3.2874","","3.2874","","3.8393","","90","","90","","120","","35.933","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Dy B2","","- B2 Dy -","- B2 Dy -","- B2 Dy -","1","0.0416667","","Rogl, P.; Klesnar, H.P.","Phase relations in the ternary systems rare-earth metal(RE) - boron - nitrogen, where RE = Tb, Dy, Ho, Er, Tm, Lu, Sc and Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510664","3.2609","","3.2609","","3.779","","90","","90","","120","","34.8","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Er B2","","- B2 Er -","- B2 Er -","- B2 Er -","1","0.0416667","","Klesnar, H.P.; Rogl, P.","Phase relations in the ternary systems rare-earth metal(RE) - boron - nitrogen, where RE = Tb, Dy, Ho, Er, Tm, Lu, Sc and Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510749","3.2442","","3.2442","","3.7061","","90","","90","","120","","33.78","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Lu B2","","- B2 Lu -","- B2 Lu -","- B2 Lu -","1","0.0416667","","Rogl, P.; Klesnar, H.P.","Phase relations in the ternary systems rare.earth metal (RE)-boron-nitrogen, where RE= Tb, Dy, Ho, Er, Tm, Lu, Sc and Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510795","6.492","","11.645","","17.904","","90","","90","","90","","1353.53","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb6 O2 (B O3)2 S O4","","- B2 O12 Pb6 S -","- B2 O12 Pb6 S -","- B8 O48 Pb24 S4 -","4","0.5","","Aurivillius, B.","The crystal structure of a basic lead borate sulfate, Pb6 O2 (B O3)2 S O4","Chemica Scripta","1983","22","","168","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510844","3.2963","","3.2963","","3.8888","","90","","90","","120","","36.593","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Tb B2","","- B2 Tb -","- B2 Tb -","- B2 Tb -","1","0.0416667","","Klesnar, H.P.; Rogl, P.","Phase relations in the ternary systems rare-earth metal(RE) - boron - nitrogen, where RE= Tb, Dy, Ho, Er, Tm, Lu, Sc and Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510846","3.2573","","3.2573","","3.7473","","90","","90","","120","","34.432","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Tm B2","","- B2 Tm -","- B2 Tm -","- B2 Tm -","1","0.0416667","","Rogl, P.; Klesnar, H.P.","Phase relations in the ternary systems rare-earth metal(RE) - boron - nitrogen, where RE= Tb, Dy, Ho, Er, Tm, Lu, Sc and Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510853","3.3042","","3.3042","","3.8465","","90","","90","","120","","36.369","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Y B2","","- B2 Y -","- B2 Y -","- B2 Y -","1","0.0416667","","Rogl, P.; Klesnar, H.P.","Phase relations in the ternary systems rare-earth metal(RE) - boron - nitrogen, where RE= Tb, Dy, Ho, Er, Tm, Lu, Sc and Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510875","9.416","","9.416","","17.536","","90","","90","","120","","1346.46","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba3 Y (B O3)3","","- B3 Ba3 O9 Y -","- B3 Ba3 O9 Y -","- B18 Ba18 O54 Y6 -","6","0.5","","Wang Guofu; Pan Shangke","Structure of low temperature phase beta-(Ba3 Y (B O3)3) crystal","Jiegon Huaxue","2003","22","","187","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510917","7.17","","6.64","","16.46","","90","","90","","105","","756.939","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Li6 Ho (B O3)3","","- B3 Ho Li6 O9 -","- B3 Ho Li6 O9 -","- B12 Ho4 Li24 O36 -","4","1","","Mamedov, Kh.S.; Dzhafarov, G.G.; Abdullaev, G.K.; Guseinova, S.A.; Rza-Zade, P.F.","Synthesis and structural study of lithium and holmium double orthoborate crystals","Zhurnal Neorganicheskoi Khimii","1977","22","","3239","3242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510929","8.814","","14.143","","5.776","","90","","103.75","","90","","699.381","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li3 Nd2 (B O3)3","","- B3 Li3 Nd2 O9 -","- B3 Li3 Nd2 O9 -","- B12 Li12 Nd8 O36 -","4","1","","Mamedov, H.S.; Abdullaev, G.K.","Crystal structure of the double orthoborate of lithium and neodymium Li3 Nd2 (B O3)3","Kristallografiya","1977","22","","271","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510934","7.115","","6.578","","16.324","","90","","90","","105.06","","737.763","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Li6 Yb (B O3)3","","- B3 Li6 O9 Yb -","- B3 Li6 O9 Yb -","- B12 Li24 O36 Yb4 -","4","1","","Mamedov, H.S.; Abdullaev, G.K.","Crystal structure of the double lithium ytterbium orthoborate Li6 Yb (B O3)3","Kristallografiya","1977","22","","389","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511029","4.205","","4.205","","4.205","","90","","90","","90","","74.353","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ce Pd3 B","","- B Ce Pd3 -","- B Ce Pd3 -","- B Ce Pd3 -","1","0.0208333","","Dhar, S.K.; Malik, S.K.; Vijayaraghavan, R.","Studies on the valence state of Ce and Eu in some new boron and silicon containing rare earth intermetallic compounds","Pramana, Journal of Physics","1984","22","","329","344","10.1007/BF02846384","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511032","4.176","","4.176","","4.176","","90","","90","","90","","72.825","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ce Rh3 B","","- B Ce Rh3 -","- B Ce Rh3 -","- B Ce Rh3 -","1","0.0208333","","Vijayaraghavan, R.; Malik, S.K.; Dhar, S.K.","Studies on the valence state of Ce and Eu in some new boron and silicon containing rare earth intermetallic compounds","Pramana, Journal of Physics","1984","22","","329","344","10.1007/BF02846384","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511199","8.761","","6.081","","7.354","","90","","102.57","","90","","382.398","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","K2 Li B O3","","- B K2 Li O3 -","- B K2 Li O3 -","- B4 K8 Li4 O12 -","4","1","","Hoppe, R.; Miessen, M.","Neue Borate der Alkalimetalle:K2LiBo3","Physics and Chemistry of Minerals (Germany)","1985","22","","331","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511720","4.7441","","5.4773","","2.8659","","90","","90","","90","","74.47","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","Cr B4","","- B4 Cr -","- B4 Cr -","- B8 Cr2 -","2","0.125","","Andersson, S.; Lundstroem, T.","The crystal structure of Cr B4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","3103","3110","10.3891/acta.chem.scand.22-3103","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511753","7.7143","","16.779","","8.9478","","90","","90","","90","","1158.19","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd2 Ba3 (B O3)4","","- B4 Ba3 Nd2 O12 -","- B4 Ba3 Nd2 O12 -","- B16 Ba12 Nd8 O48 -","4","0.5","","Yan, J.F.; Hong, H.Y.-P.","Crystal structure of a new mini-laser material, Nd2 Ba3 (B O3)4","Materials Research Bulletin","1987","22","","1347","1353","10.1016/0025-5408(87)90299-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511757","9.786","","5.158","","8.078","","90","","136.63","","90","","280.002","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La2 Ni5 B4","","- B4 La2 Ni5 -","- B4 La2 Ni5 -","- B8 La4 Ni10 -","2","0.25","","Kuz'ma, Yu.B.","Crystal structure of the boride Nd2 Ni5 B4","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1986","22","","1683","1685","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514109","4.513","0.001","9.264","0.001","2.859","0.001","90","","90","","90","","119.53","0.05","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Manganese(IV) Oxide","Ramsdellite","- Mn O2 -","- Mn O2 -","- Mn4 O8 -","4","0.5","","Miura, H.; Kudou, H.; Choi, J. H.; Hariya, Y.","The crystal structure of ramsdellite from Pirika mine","Journal of the Faculty of Science, Hokkaido University, Series 4","1990","22","","611","617","","","","","","","0.125","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1517729","6.586","0.001","8.4","0.001","10.842","0.001","106.37","0.01","90.35","0.01","89.97","0.01","575.48","0.13","","","","","","","","","","","","3","P -1","-P 1","2","","Bis(oxoniobium) Tetraphosphate(V)","","- Nb2 O15 P4 -","- Nb2 O15 P4 -","- Nb4 O30 P8 -","2","1","","Nicolaev, V.P.; Sadikov, G.G.; Lavrov, A.V.; Porai Koshits, M.A.","The crystal structure of niobium tetraphosphate (Nb O)2 P4 O13","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1986","22","","1364","1368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518076","10.494","0.003","5.991","0.002","7.534","0.002","90","","110.5","0.1","90","","443.7","0.4","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Al2 As3 K3 -","- Al2 As3 K3 -","- Al4 As6 K6 -","2","0.5","","Cordier, Gerhard; Ochmann, Harald; Schafer, Herbert","Neuartige Al2As3-kettenverbande in der verbindung K3Al2As3","Revue de Chimie Minerale","1985","22","","58","63","","","x-ray","0.71069","MoKα","","","","","","0.034","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518077","10.162","0.003","12.396","0.003","9.499","0.003","90","","118.5","0.1","90","","1051.6","1.1","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- As2 Ba2 Se5 -","- As2 Ba2 Se5 -","- As8 Ba8 Se20 -","4","2","","Cordier, Gerhard; Schwidetzky, Cristoph; Schafer, Herbert","Darstellung und struktur von Ba2As2Se5","Revue de Chimie Minerale","1985","22","","93","100","","","x-ray","0.71069","MoKα","","","","","","0.089","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518078","8.821","0.002","28.185","0.006","17.524","0.003","90","","94.84","0.02","90","","4341.3","1.5","","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl2 O24 Pd6 -","- C25 Cl2 O24 Pd6 -","- C100 Cl8 O96 Pd24 -","4","1","","Cotton, F. Albert; Han, Scott","Further study of trinuclear palladium(II) acetate crystals from dichloromethane","Revue de Chimie Minerale","1985","22","","277","284","","","x-ray","0.71069","MoKα","","","0.057","","","0.07","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518085","23.349","0.045","13.296","0.075","16.91","0.062","90","","106.8","0.1","90","","5026","4","","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 Br4 Mo2 P4 -","- C52 Br4 Mo2 P4 -","- C208 Br16 Mo8 P16 -","4","1","","Agaskar, Pradyot A.; Cotton, F. Albert","The crystal and molecular structure of beta-Mo2Br4 (bis(diphenylphosphino)ethane)2","Revue de Chimie Minerale","1985","22","","302","311","","","x-ray","0.71069","MoKα","","","0.0761","","","0.0716","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518086","18.398","0.007","4.241","0.002","17.037","0.007","90","","90.58","0.02","90","","1329.3","1","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Bi6 Se13 Sr4 -","- Bi6 Se13 Sr4 -","- Bi12 Se26 Sr8 -","2","0.5","","Cordier, Gerhard; Schafer, Herbert; Schwidetzky, Christoph","Preparation and crystal structure of the new compound Sr4Bi6Se13","Revue de Chimie Minerale","1985","22","","631","638","","","x-ray","0.71069","MoKα","","","","","","0.085","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518088","9.43","0.002","9.43","0.002","7.629","0.002","90","","90","","120","","587.5","0.2","","","293","","","","","","","","","4","P -3","-P 3","147","","","","- K3 O8 P2 Sc -","- K3 O8 P2 Sc -","- K9 O24 P6 Sc3 -","3","0.5","","Efremov, V. A.; Melnikov, P. P.; Komissarova, L. N.","Sur de nouveaux composes de type glaserite","Revue de Chimie Minerale","1985","22","","666","675","","","x-ray","0.71069","MoKα","","","0.067","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518089","5.4836","0.0006","5.4836","0.0006","7.9157","0.0009","90","","90","","120","","206.13","0.04","","","293","","","","","","","","","5","P -3","-P 3","147","","","","- Cs K2 O8 P2 Sc -","- Cs0.333333 K0.666667 O2.66667 P0.666667 Sc0.333333 -","- Cs K2 O8 P2 Sc -","3","0.5","","Efremov, V. A.; Melnikov, P. P.; Komissarova, L. N.","Sur de nouveaux composes de type glaserite","Revue de Chimie Minerale","1985","22","","666","675","","","x-ray","1.542","CuKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518090","9.803","0.006","5.66","0.004","8.096","0.009","90","","90","0.05","90","","449.2","0.7","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Cs Ho K2 O8 P2 -","- Cs Ho K2 O8 P2 -","- Cs2 Ho2 K4 O16 P4 -","2","0.25","","Efremov, V. A.; Melnikov, P. P.; Komissarova, L. N.","Sur de nouveaux composes de type glaserite","Revue de Chimie Minerale","1985","22","","666","675","","","x-ray","0.71069","MoKα","","","0.028","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518091","27.733","0.013","4.177","0.004","13.286","0.007","90","","107.9","0.2","90","","1465","2","","","293","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- Bi7 Cs3 Se12 -","- Bi7 Cs3 Se12 -","- Bi14 Cs6 Se24 -","2","0.5","","Cordier, Gerhard; Schafer, Herbert; Schwidetzky, Christoph","0n Cs3Bi7Se12, a new layer selenidobismutate (III)","Revue de Chimie Minerale","1985","22","","676","683","","","x-ray","0.71069","MoKα","","","","","","0.091","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518092","6.66","0.002","7.043","0.002","7.857","0.003","90","","114.3","0.03","90","","335.9","0.2","","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Br2 H10 N2 O2 -","- Br2 H10 N2 O2 -","- Br4 H20 N4 O4 -","2","0.5","","Ducourant, B.; Mula, B.; Fourcade, R.","","Revue de Chimie Minerale","1985","22","","684","691","","","x-ray","0.71069","MoKα","","","0.029","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518093","15.39","0.005","9.41","0.004","16.908","0.005","90","","91.4","0.1","90","","2447.9","1.5","","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H30 O15 S5 Sb2 Sr2 -","- H30 O15 S5 Sb2 Sr2 -","- H120 O60 S20 Sb8 Sr8 -","4","0.5","","Cordier, Gerhard; Schafer, Herbert; Schwidetzky, Christoph","Sr2Sb2S5.15H2O, ein neues oligothioantimonat(III)","Revue de Chimie Minerale","1985","22","","722","727","","","x-ray","0.71069","MoKα","","","","","","0.077","","","","","","","","","","","has coordinates","189201","2020-10-21","18:00:00",""
"1518094","6.442","0.001","8.242","0.001","9.041","0.001","109.11","0.01","91.28","0.01","100","0.01","445.07","0.11","","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H17 Cl2 Na2 O16 Ru -","- C4 Cl2 Na2 O16 Ru -","- C4 Cl2 Na2 O16 Ru -","1","0.5","","Deloume, J. P.; Duc, G.; Faure, R.; Thomas-David, G.","","Revue de Chimie Minerale","1985","22","","728","738","","","x-ray","0.71069","MoKα","","","0.061","","","0.088","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518095","6.966","0.005","12.248","0.006","14.79","0.009","90","","128.12","0.05","90","","992.7","1.3","","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H6 K4 O20 Ru2 -","- C8 K4 O20 Ru2 -","- C16 K8 O40 Ru4 -","2","1","","Deloume, J. P.; Duc, G.; Faure, R.; Thomas-David, G.","","Revue de Chimie Minerale","1985","22","","728","738","","","x-ray","0.71069","MoKα","","","0.087","","","0.1","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518096","10.14","","10.14","","10.14","","90","","90","","90","","1042.59","","","","293","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl6 Rb2 Sb -","- Cl6 Rb2 Sb0.998 -","- Cl24 Rb8 Sb3.992 -","4","0.0208333","","Mascherpa-Corral, D.; Ducourant, B.; Fourcade, R.; Mascherpa, G.","Composes a valences mixtes RbxSbCl6. Structures cristallines et moleculaires de Rb2SbCl6 et Rb2.66SbCl6","Revue de Chimie Minerale","1985","22","","758","766","","","x-ray","0.71069","MoKα","","","0.07","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518100","17.794","0.013","6.189","0.003","12.182","0.009","90","","105.38","0.04","90","","1293.5","1.5","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cu3 H2 O9 P2 -","- Cu3 H2 O9 P2 -","- Cu24 H16 O72 P16 -","8","1","","Riou, A.; Gerault, Y.; Cudennec, Y.","Structure cristalline d'un nouveau phosphate de cuivre Cu3(PO4)2, H2O","Revue de Chimie Minerale","1985","22","","776","783","","","x-ray","0.71069","MoKα","","","0.039","","","0.057","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518101","12.773","0.003","25.564","0.006","8.052","0.001","90","","90","","90","","2629.2","0.9","","","293","","","","","","","","","4","C m m 2","C 2 -2","35","","","","- F11 H12 N3 Sn3 -","- F11 H12 N3 Sn3 -","- F88 H96 N24 Sn24 -","8","1","","Soufiane, A.; Vilminot, S.","Sur un fluorure mixte d'etain II et IV : (NH4)3Sn3F11","Revue de Chimie Minerale","1985","22","","799","808","","","x-ray","0.71069","MoKα","","","0.042","","","","","","","","","","","","","","has coordinates","186596","2020-10-21","18:00:00",""
"1518102","6.198","0.003","6.198","0.003","36.56","0.02","90","","90","","120","","1216.3","1.1","","","293","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Na2 O11 Ta4 -","- Na2 O11 Ta4 -","- Na12 O66 Ta24 -","6","0.166667","","Mattes, R.; Schaper, J.","Die struktur von Na2Ta4O11","Revue de Chimie Minerale","1985","22","","817","820","","","x-ray","0.71069","MoKα","","","0.048","","","0.044","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1522298","3.1956","","3.1956","","5.0546","","90","","90","","120","","44.702","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Hf0.96 Zr0.04)","","- Hf0.96 Zr0.04 -","- Hf0.96 Zr0.04 -","- Hf1.92 Zr0.08 -","2","0.0833333","","Krug, M.P.; Davis, B.E.","The anisotropic thermal expansion of the crystal lattice of hafnium","Journal of the Less-Common Metals","1970","22","","363","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","142519","2020-10-21","18:00:00",""
"1522360","3.967","","3.967","","12.58","","90","","90","","90","","197.973","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","U2 N2 Te","","- N2 Te U2 -","- N2 Te U2 -","- N4 Te2 U4 -","2","0.0625","","Leciejewicz, J.; Zolnierek, Z.; Troc, R.","The magnetic structure of U2 N2 Te","Solid State Communications","1977","22","","697","699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522395","6.34","","6.34","","6.34","","90","","90","","90","","254.84","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Ga0.286 Hg0.571) Te","","- Ga0.286 Hg0.571 Te -","- Ga0.286 Hg0.571 Te -","- Ga1.144 Hg2.284 Te4 -","4","0.0416667","","Lototskii, V.B.; Radevich, E.I.; Gavaleshko, N.P.","Physicochemical properties of (Ga2 Te3)x (Hg3 Te3)1-x solid solutions","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1986","22","","1916","1918","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522422","4.08","","4.08","","4.08","","90","","90","","90","","67.917","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Gd Pd3 -","- Gd Pd3 -","- Gd Pd3 -","1","0.0208333","","Malik, S.K.; Dhar, S.K.; Vijayaraghavan, R.","Studies on the valence state of Ce and Eu in some new boron and silicon containing rare earth internetallic compounds","Pramana, Journal of Physics","1984","22","","329","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522870","16.396","","3.594","","8.386","","90","","101.88","","90","","483.579","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","","","- Al3 Mo -","- Al3 Mo -","- Al24 Mo8 -","8","2","","Schuster, J.C.; Ipser, H.","The Al - Al8 Mo3 section of the binary system aluminum- molybdenum","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1991","22","","1729","1738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522871","4.945","","4.945","","4.945","","90","","90","","90","","120.92","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Al3.1 Mo0.9 -","- Al3.1 Mo0.9 -","- Al6.2 Mo1.8 -","2","0.0416667","","Schuster, J.C.; Ipser, H.","The Al - Al8 Mo3 section of the binary system aluminum- molybdenum","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1991","22","","1729","1738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522872","4.933","","4.933","","43.98","","90","","90","","120","","926.847","","","","","","","","","","","","","2","P 3","P 3","143","","","","- Al5 Mo -","- Al5 Mo -","- Al50 Mo10 -","10","3.33333","","Schuster, J.C.; Ipser, H.","The Al - Al8 Mo3 section of the binary system aluminum- molybdenum","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1991","22","","1729","1738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522873","4.951","","4.951","","26.23","","90","","90","","120","","556.82","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al5 Mo -","- Al5 Mo -","- Al30 Mo6 -","6","0.166667","","Schuster, J.C.; Ipser, H.","The Al - Al8 Mo3 section of the binary system aluminum- molybdenum","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1991","22","","1729","1738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522874","4.912","","4.912","","8.86","","90","","90","","120","","185.132","","","","","","","","","","","","","2","P 63","P 6c","173","","","","- Al5 Mo -","- Al5 Mo -","- Al10 Mo2 -","2","0.333333","","Schuster, J.C.; Ipser, H.","The Al - Al8 Mo3 section of the binary system aluminum- molybdenum","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1991","22","","1729","1738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523312","4.423","","13.063","","8.842","","90","","90","","90","","510.87","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","","","- Gd3 Zn11 -","- Gd3 Zn11 -","- Gd6 Zn22 -","2","0.125","","Bruzzone, G.; Fornasini, M.L.; Merlo, F.","Rare-earth intermediate phases with zinc","Journal of the Less-Common Metals","1970","22","","253","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523332","5.058","","5.058","","24.71","","90","","90","","120","","547.471","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- La2 Ni7 -","- La2 Ni7 -","- La8 Ni28 -","4","0.166667","","Buschow, K.H.J.; van der Goot, A.S.","The crystal structure of rare earth-nickel compounds of the type R2 Ni7","Journal of the Less-Common Metals","1970","22","","419","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523367","3.873","","3.873","","3.873","","90","","90","","90","","58.095","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Fe3 Sn -","- Fe3 Sn -","- Fe3 Sn -","1","0.0208333","","Cannon, J.F.","Effect of high pressure on the structures of A B3-type layered compounds","Materials Research Society Symposia Proceedings","1984","22","","113","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523393","4.99","","4.99","","3.974","","90","","90","","120","","85.696","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(La0.5 Nd0.5) Ni5","","- La0.5 Nd0.5 Ni5 -","- La0.5 Nd0.5 Ni5 -","- La0.5 Nd0.5 Ni5 -","1","0.0416667","","Che Guangcan; Liang Jingkui; Zu Yude","Studies of phase relations between mischmetal (Mm) and Mm Ni5 together with their hydrogen absorption properties","Jinshu Xuebao","1986","22","","206","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","144008","2020-10-21","18:00:00",""
"1523394","4.95","","4.95","","3.994","","90","","90","","120","","84.752","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(La0.5 Pr0.5) Ni5","","- La0.5 Ni5 Pr0.5 -","- La0.5 Ni5 Pr0.5 -","- La0.5 Ni5 Pr0.5 -","1","0.0416667","","Che Guangcan; Liang Jingkui; Zu Yude","Studies of phase relations between mischmetal (Mm) and Mm Ni5 together with their hydrogen absorption properties","Jinshu Xuebao","1986","22","","206","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","144009","2020-10-21","18:00:00",""
"1523925","8.9822","","8.9822","","8.9822","","90","","90","","90","","724.683","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Fe4 Zn9 -","- Fe4.001 Zn8.999 -","- Fe16.004 Zn35.996 -","4","0.0833333","","Johansson, A.; Ljung, H.; Westman, S.","X-ray and neutron diffraction studies on gamma-nickel, zinc and gamma-iron, zinc","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","2743","2753","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523926","8.9206","","8.9206","","8.9206","","90","","90","","90","","709.876","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Ni2 Zn11 -","- Ni2 Zn11 -","- Ni8 Zn44 -","4","0.0833333","","Johansson, A.; Ljung, H.; Westman, S.","X-ray and neutron diffraction studies on Ni-Zn and Fe-Zn","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","2743","2753","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523966","17.641","","18.031","","7.402","","90","","116.43","","90","","2108.37","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na4.12 (Si36 O72) (H2 O)23.12","","- H46.24 Na4.12 O95.12 Si36 -","- Na4.12 O95.12 Si36 -","- Na4.12 O95.12 Si36 -","1","0.125","","Alberti, A.","The crystal structure of two clinoptilolites","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1975","22","","25","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","144599","2020-10-21","18:00:00",""
"1524192","6.2365","","6.2365","","6.4347","","90","","90","","90","","250.271","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co Ga3 -","- Co Ga3 -","- Co4 Ga12 -","4","0.25","","Chang Tao-Fan; Liang Ching-Kwei","Concerning the crystal structure of Co Ga3","Wu Li Hsueh Pao (= Acta Physica Sinica)","1967","22","","701","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524200","5","","5","","3.98","","90","","90","","120","","86.17","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ce0.5 La0.5) Ni5","","- Ce0.5 La0.5 Ni5 -","- Ce0.5 La0.5 Ni5 -","- Ce0.5 La0.5 Ni5 -","1","0.0416667","","Che Guangcan; Liang Jingkui; Zu, Y.","Studies of phase relations between mischmetal (Mm) and Mn Ni5 together with their hydrogen absorbtion properties","Jinshu Xuebao","1986","22","","B206","B211","","","","","","","","","","","","","","","","","","","","","","has coordinates","144887","2020-10-21","18:00:00",""
"1524287","7.505","","7.505","","7.505","","90","","90","","90","","422.719","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Eu3 Ga4 Ni4 -","- Eu3 Ga4 Ni4 -","- Eu6 Ga8 Ni8 -","2","0.0416667","","Dwight, A.E.","Crystal structure of Eu3 Ni4 Ga4","Materials Research Bulletin","1987","22","","305","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524379","13.184","","13.184","","6.214","","90","","90","","90","","1080.1","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Eu5 Pb3 -","- Eu5 Pb3 -","- Eu20 Pb12 -","4","0.125","","Franceschi, E.","On the crystal structure of Eu5 Pb3","Journal of the Less-Common Metals","1970","22","","249","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524662","6.829","","6.829","","7.094","","90","","90","","90","","330.83","","","","","","","","","","","","","2","P -4 n 2","P -4 -2n","118","","","","- Co In3 -","- Co In3 -","- Co4 In12 -","4","0.5","","Katrich, M.V.; Titov, Yu.G.; Matyushenko, N.N.","Crystal structure of the ordered phase Co In3","Kristallografiya","1977","22","","188","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524735","5.398","","5.398","","4.559","","90","","90","","120","","115.045","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Fe3 Sn3 Ho0.5","","- Fe3 Ho0.5 Sn3 -","- Fe3 Ho0.5 Sn3 -","- Fe3 Ho0.5 Sn3 -","1","0.0416667","","Koretskaya, O.E.; Skolozdra, R.V.","New triple stannides with structure of the YCo6Fe6-type","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1986","22","","690","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","145562","2020-10-21","18:00:00",""
"1524746","5.911","","5.911","","5.911","","90","","90","","90","","206.53","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Cu Ga) Te2","","- Cu Ga Te2 -","- Cu Ga Te2 -","- Cu2 Ga2 Te4 -","2","0.0104167","","Kraft, A.; Vollstaedt, H.; Kuehn, G.; Moeller, W.","The crystal structure of Ca2 Cu2 Ga, Ca Cu Ga, Sr Cu2 Ga and Ba Cu2 Ga","Materials Research Society Symposia Proceedings","1984","22","","31","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525352","7.05","","9.54","","6.32","","90","","90","","90","","425.064","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Co Gd3 -","- Co Gd3 -","- Co4 Gd12 -","4","0.5","","Strydom, O.A.W.; Alberts, L.","The structure of Gd3 Co","Journal of the Less-Common Metals","1970","22","","511","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525600","24.732","","24.732","","24.732","","90","","90","","90","","15127.9","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Mn28 Cs36 (Al92 Si100 O384)","","- Al92 Cs36 Mn28 O384 Si100 -","- Al92.0064 Cs35.9952 Mn28 O384 Si99.9936 -","- Al92.0064 Cs35.9952 Mn28 O384 Si99.9936 -","1","0.00520833","","Bae, M.N.; Song, M.K.; Kim, Y.","Two anhydrous zeolite X crystal structures, Mn28 Cs36 - X and Mn21.5 Rb49 - X","Bulletin of the Korean Chemical Society","2001","22","","1081","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","146619","2020-10-21","18:00:00",""
"1525601","24.742","","24.742","","24.742","","90","","90","","90","","15146.2","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Mn21.5 Rb49 (Al92 Si100 O384)","","- Al92 Mn21.5 O384 Rb49 Si100 -","- Al91.9968 Mn21.4992 O384 Rb49 Si100.003 -","- Al91.9968 Mn21.4992 O384 Rb49 Si100.003 -","1","0.0104167","","Bae, M.N.; Song, M.K.; Kim, Y.","Two anhydrous zeolite X crystal structures, Mn28 Cs36 - X and Mn21.5 Rb49 - X","Bulletin of the Korean Chemical Society","2001","22","","1081","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","146620","2020-10-21","18:00:00",""
"1525785","12.247","","12.247","","12.247","","90","","90","","90","","1836.92","","","","","","","","","","","","","7","P m -3 m","-P 4 2 3","221","","(Cs3 Na8 H (Si12 Al12 O48)) (Kr)6","","- Al12 Cs3 H Kr6 Na8 O48 Si12 -","- Al12 Cs3 Kr6 Na8 O48 Si12 -","- Al12 Cs3 Kr6 Na8 O48 Si12 -","1","0.0208333","","Lim, W.T.; Chang, C.H.; Jung, K.J.; Heo, N.-H.","Kr atoms and their clustering in zeolite A","Bulletin of the Korean Chemical Society","2001","22","","1023","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525963","7.2548","","6.4471","","7.457","","90","","90","","90","","348.782","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Co Fe (P O4) O","","- Co Fe O5 P -","- Co Fe O5 P -","- Co4 Fe4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Roisnel, T.; Blanchard, N.; Bouree, F.; Andre, G.; Collin, G.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M = Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms of superexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525965","7.1882","","6.3924","","7.4847","","90","","90","","90","","343.921","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ni Fe (P O4) O","","- Fe Ni O5 P -","- Fe Ni O5 P -","- Fe4 Ni4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Andre, G.; Blanchard, N.; Roisnel, T.; Collin, G.; Bouree, F.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M =Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms ofsuperexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525967","7.5152","","6.3948","","7.1716","","90","","90","","90","","344.654","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu Fe (P O4) O","","- Cu Fe O5 P -","- Cu Fe O5 P -","- Cu4 Fe4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Andre, G.; Roisnel, T.; Bouree, F.; Blanchard, N.; Collin, G.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M = Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms ofsuperexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526203","8.3656","","8.3656","","8.3656","","90","","90","","90","","585.452","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","(Y0.6 Cu0.4) (Y0.2 Mo0.8) Ba2 O6","","- Ba2 Cu0.4 Mo0.8 O6 Y0.8 -","- Ba2 Cu0.4 Mo0.8 O6 Y0.8 -","- Ba8 Cu1.6 Mo3.2 O24 Y3.2 -","4","0.0208333","","Gu, L.-N.; Zhang, J.-W.; Li, R.-K.; Chen, Z.-Y.","The synthesis and structure of a new phase in Y - Ba- Cu - Mo - O system","Diwen Wuli Xuebao","2000","22","","77","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","147335","2020-10-21","18:00:00",""
"1526664","27.418","","15.647","","23.96","","90","","102.85","","90","","10021.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Ga O4 Al12 (O H)24 (H2 O)12) (Al (O H)6 Mo6 O18)2 (O H) (H2 O)30.165","","- Al14 Ga H121.33 Mo12 O119.165 -","- Al14 Ga Mo12 O118.165 -","- Al56 Ga4 Mo48 O472.659 -","4","0.5","","Son, J.-H.; Kwon, Y.-U.","Single crystal structure of pure inorganic nanocomposite (Ga O4 Al12 (O H)24 (H2 O)12) (Al (O H)6 Mo6 O18)2 (O H) * 30(H2 O)","Bulletin of the Korean Chemical Society","2001","22","","1224","1230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527028","24.935","","24.935","","24.935","","90","","90","","90","","15503.4","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Pd18 Tl56 (Si100 Al92 O384)","","- Al92 O384 Pd18 Si100 Tl56 -","- Al91.9968 O384 Pd18 Si100.003 Tl56.0032 -","- Al91.9968 O384 Pd18 Si100.003 Tl56.0032 -","1","0.0104167","","Yoon, B.Y.; Song, M.K.; Lee, S.H.; Kim, Y.","Two anhydrous zeolite X crystal structures, Pd18 Tl56 Si100 Al92 O384 and Pd21 Tl50 Si100 Al92 O384","Bulletin of the Korean Chemical Society","2001","22","","30","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","148316","2020-10-21","18:00:00",""
"1527029","24.914","","24.914","","24.914","","90","","90","","90","","15464.3","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Pd21 Tl50 Si100 Al92 O384","","- Al92 O384 Pd21 Si100 Tl50 -","- Al91.9968 O384 Pd21 Si100.003 Tl50 -","- Al91.9968 O384 Pd21 Si100.003 Tl50 -","1","0.0104167","","Yoon, B.Y.; Song, M.K.; Kim, Y.; Lee, S.H.","Two anhydrous zeolite X crystal structures, Pd18 Tl56 Si100 Al92 O384 and Pd21 Tl50 Si100 Al92 O384","Bulletin of the Korean Chemical Society","2001","22","","30","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","148317","2020-10-21","18:00:00",""
"1527272","6.045","","6.045","","8.29","","90","","90","","90","","302.933","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","Li2 Te O4","","- Li2 O4 Te -","- Li2 O4 Te -","- Li8 O16 Te4 -","4","0.5","","Daniel, F.; Moret, J.; Maurin, M.; Philippot, E.","Etude structurale de Li2 Te O4. Coordination du tellure VI et du lithium par les atomes d'oxygene","Journal of Solid State Chemistry","1977","22","","113","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527273","10.632","","5.161","","13.837","","90","","103.27","","90","","738.988","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na2 Te O4","","- Na2 O4 Te -","- Na2 O4 Te -","- Na16 O32 Te8 -","8","2","","Daniel, F.; Maurin, M.; Moret, J.; Philippot, E.","Etude structurale d'un nouveau tellurate alcalin: Na2 Te O4 . Evolution de la coordination du tellure(VI) et du cation quand on passe du cation lithium au sodium","Journal of Solid State Chemistry","1977","22","","385","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527361","7.527","","7.527","","43.17","","90","","90","","120","","2118.15","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rb12.20 Nb33.56 O90","","- Nb33 O90 Rb12.0012 -","- Nb33 O90 Rb12.0012 -","- Nb33 O90 Rb12.0012 -","1","0.0277778","","Fallon, G.D.; Gatehouse, B.M.","Crystal structures of some niobium and tantalum oxides. II. The 4Rb2 O : 11Nb2 O5 phase - a tunnel structure","Journal of Solid State Chemistry","1977","22","","405","409","","","","","","","","","","","","","","","","","","","","","","has coordinates","148885","2020-10-21","18:00:00",""
"1527408","9.06","","5.7721","","4.5203","","89.99","","91.4","","89.83","","236.318","","","","","","","","","","","","","2","P -1","-P 1","2","","V O2","","- O2 V -","- O2 V -","- O8 V4 -","4","2","","Ghedira, M.; Vincent, H.; Marezio, M.; Launay, J.C.","Structural aspects of the metal-insulator transitions in V0.985 Al0.015 O2","Journal of Solid State Chemistry","1977","22","","423","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527438","8.293","","8.293","","8.293","","90","","90","","90","","570.342","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.6 Ho0.07 U0.33 O3)","","- Ba Fe0.6 Ho0.07 O3 U0.33 -","- Ba0.995 Fe0.595 Ho0.07 O3 U0.33 -","- Ba7.96 Fe4.76 Ho0.56 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527439","8.344","","8.344","","8.344","","90","","90","","90","","580.929","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.54 Ho0.13 U0.33 O3)","","- Ba Fe0.54 Ho0.13 O3 U0.33 -","- Ba1.005 Fe0.525 Ho0.13 O3 U0.33 -","- Ba8.04 Fe4.2 Ho1.04 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527440","8.395","","8.395","","8.395","","90","","90","","90","","591.646","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.47 Ho0.2 U0.33 O3)","","- Ba Fe0.47 Ho0.2 O3 U0.33 -","- Ba Fe0.46 Ho0.2 O3 U0.33 -","- Ba8 Fe3.68 Ho1.6 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527441","8.445","","8.445","","8.445","","90","","90","","90","","602.281","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.4 Ho0.27 U0.33 O3)","","- Ba Fe0.4 Ho0.27 O3 U0.33 -","- Ba0.995 Fe0.395 Ho0.27 O3 U0.33 -","- Ba7.96 Fe3.16 Ho2.16 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Poix, P.; Berthon, J.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527442","8.49","","8.49","","8.49","","90","","90","","90","","611.96","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.34 Ho0.33 U0.33 O3)","","- Ba Fe0.34 Ho0.33 O3 U0.33 -","- Ba1.005 Fe0.33 Ho0.33 O3 U0.33 -","- Ba8.04 Fe2.64 Ho2.64 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527443","8.533","","8.533","","8.533","","90","","90","","90","","621.306","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba (Fe0.27 Ho0.4 U0.33 O3)","","- Ba Fe0.27 Ho0.4 O3 U0.33 -","- Ba1.005 Fe0.265 Ho0.395 O3 U0.33 -","- Ba8.04 Fe2.12 Ho3.16 O24 U2.64 -","8","0.0416667","","Grenet, J.C.; Berthon, J.; Poix, P.","Etude structurale et magnetique de perovskites de formule Ba3 Fe2-x Hox U O9","Journal of Solid State Chemistry","1977","22","","411","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527491","5.176","","10.794","","5.68","","90","","90","","90","","317.34","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K V O3","","- K O3 V -","- K O3 V -","- K4 O12 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527492","5.261","","11.425","","5.715","","90","","90","","90","","343.511","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Rb (V O3)","","- O3 Rb V -","- O3 Rb V -","- O12 Rb4 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527493","5.393","","12.249","","5.786","","90","","90","","90","","382.217","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Cs V O3","","- Cs O3 V -","- Cs O3 V -","- Cs4 O12 V4 -","4","0.5","","Hawthorne, F.C.; Calvo, C.","The crystal chemistry of the M(+) V O3 (M(+) = Li, Na, K, N H4, Tl, Rb, and Cs) pyroxenes","Journal of Solid State Chemistry","1977","22","","157","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527599","4.1726","","4.1726","","6.2332","","90","","90","","90","","108.524","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Sb Mn0.89 Zn0.94","","- Mn0.89 Sb Zn0.94 -","- Mn0.889 Sb Zn0.942 -","- Mn1.778 Sb2 Zn1.884 -","2","0.125","","Johnson, V.; Jeitschko, W.","Ferromagnetic anti-Pb F Cl-type Zn Mn Sb","Journal of Solid State Chemistry","1977","22","","71","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527617","5.542","","5.542","","10.908","","90","","90","","90","","335.026","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Cu3.75 Hg1.75 Sn2 S8","","- Cu3.75 Hg1.75 S8 Sn2 -","- Cu3.76 Hg1.75 S8 Sn2 -","- Cu3.76 Hg1.75 S8 Sn2 -","1","0.0625","","Kaplunnik, L.N.; Pobedimskaya, E.A.; Belov, N.V.","Crystal structure of velikite Cu3.75 Hg1.75 Sn2 S8","Kristallografiya","1977","22","","175","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","149287","2020-10-21","18:00:00",""
"1527646","4.8481","","4.8481","","4.8481","","90","","90","","90","","113.95","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Er N -","- Er N -","- Er4 N4 -","4","0.0208333","","Klesnar, H.P.; Rogl, P.","Phase relations in the ternary systems rare-earth metal (RE)-boron-nitrogen, where RE= Tb, Dy, Ho, Er, Tm, Lu, Sc and Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527746","3.998","","3.998","","17.28","","90","","90","","90","","276.204","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Al3 Zr -","- Al3 Zr -","- Al12 Zr4 -","4","0.125","","Ma, Y.; Gjoennes, J.; Taftoe, J.","Structure refinement of Al3 Zr using lacbed technique","Micron and Microscopica Acta","1991","22","","163","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527911","5.73","","5.73","","5.73","","90","","90","","90","","188.133","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(U0.6 Y0.4) Se","","- Se U0.6 Y0.4 -","- Se U0.6 Y0.4 -","- Se4 U2.4 Y1.6 -","4","0.0208333","","Palewski, T.; Horn, J.","Magnetically induced rhombohedral distortion in the Ux Th1-x Se and Ux Y1-x Se solid solutions","Crystal Research and Technology","1987","22","","1047","1054","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529512","11.506","","11.506","","5.644","","90","","90","","90","","747.198","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Cu (B2 O4)","","- B2 Cu O4 -","- B2 Cu O4 -","- B24 Cu12 O48 -","12","0.75","","Abdullaev, G.K.; Mamedov, H.S.","The refinement of the crystal structure of copper metaborate Cu B2 O4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","184","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529604","5.5675","","5.5952","","7.8734","","90","","90","","90","","245.266","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La2 Ni (Ru O6)","","- La2 Ni O6 Ru -","- La2 Ni O6 Ru -","- La4 Ni2 O12 Ru2 -","2","0.25","","Battle, P.D.; Jones, C.W.","The crystal structure of La2 Ni Ru O6","Materials Research Bulletin","1987","22","","1623","1627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529621","9.295","","9.295","","7.243","","90","","90","","120","","541.936","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Y Al3 (B O3)4","","- Al3 B4 O12 Y -","- Al3 B4 O12 Y -","- Al9 B12 O36 Y3 -","3","0.166667","","Belokoneva, E.L.; Azizov, A.V.; Leonjuk, N.I.; Belov, N.V.; Simonov, M.A.","The crystal structure of Y Al3 (B O3)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","196","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529641","6.926","","6.926","","10.177","","90","","90","","120","","422.781","","","","","","","","","","","","","4","P 3","P 3","143","","K2 Zr (Si3 O9)","","- K2 O9 Si3 Zr -","- K2 O9 Si3 Zr -","- K4 O18 Si6 Zr2 -","2","0.666667","","Blinov, V.A.; Shumyatskaya, N.G.; Ilyukhin, V.V.; Belov, N.V.; Voronkov, A.A.","Refinement of the crystal structure of wadeite K2 Zr (Si3 O9) and its relation to kindred structural types","Kristallografiya","1977","22","","59","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529665","15.669","","9.246","","9.055","","90","","90","","124.2","","1085","","","","","","","","","","","","","5","B 1 1 2/b","-B 2b","15","","Na3.12 Zr2 Si2.12 P.88 O12","","- Na3.12 O12 P0.88 Si2.12 Zr2 -","- Na3.12 O12 P0.9 Si2.1 Zr2 -","- Na12.48 O48 P3.6 Si8.4 Zr8 -","4","0.5","","Boilot, J.P.; Collin, G.; Colomban, P.","Crystal structure of the true Nasicon Na3 Zr2 Si2 P O12","Materials Research Bulletin","1987","22","","669","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529666","5.63","","5.63","","34.00999","","90","","90","","120","","933.585","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","K1.58 Al11 O17","","- Al11 K1.58 O17 -","- Al11 K1.58 O17 -","- Al33 K4.74 O51 -","3","0.0833333","","Boilot, J.P.; Collin, G.; Colomban, P.; Comes, R.","X-ray scattering study of the fast-ion conductor beta'-alumina","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1980","22","","5912","5923","","","","","","","","","","","","","","","","","","","","","","has coordinates","154153","2020-10-21","18:00:00",""
"1529667","5.61","","5.61","","33.53999","","90","","90","","120","","914.154","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na1.68 Al11 O17","","- Al11 Na1.68 O17 -","- Al11 Na1.68 O17 -","- Al33 Na5.04 O51 -","3","0.0833333","","Boilot, J.P.; Collin, G.; Colomban, P.; Comes, R.","X-ray scattering study of the fast-ion conductor beta'-alumina","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1980","22","","5912","5923","","","","","","","","","","","","","","","","","","","","","","has coordinates","154154","2020-10-21","18:00:00",""
"1529696","9.139","","9.139","","3.3025","","90","","90","","120","","238.875","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","K.2 V6 S8","","- K0.2 S8 V6 -","- K0.22 S8 V6 -","- K0.22 S8 V6 -","1","0.0833333","","Bronsema, K.D.; Wiegers, G.A.","Structures and some physical properties of phases in the system K-V-S: K.2 V6 S8 and K.6 V S2","Materials Research Bulletin","1987","22","","1073","1080","","","","","","","","","","","","","","","","","","","","","","has coordinates","154196","2020-10-21","18:00:00",""
"1530004","10.698","","10.698","","9.345","","90","","90","","90","","1069.51","","","","","","","","","","","","","4","I 4","I 4","79","","Ca2 (Si O3 Cl2)","","- Ca2 Cl2 O3 Si -","- Ca2 Cl2 O3 Si -","- Ca16 Cl16 O24 Si8 -","8","1","","Golovastikov, N.I.; Kazak, V.F.","The crystal structure of calcium chlorosilicate Ca2 Si O3 Cl2","Kristallografiya","1977","22","","962","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530023","8.899","","3.605","","13.506","","90","","90","","90","","433.285","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn1.2 Ti.8 S3","","- S3 Sn1.2 Ti0.8 -","- S3 Sn1.206 Ti0.794 -","- S12 Sn4.824 Ti3.176 -","4","0.5","","Gressier, P.; Meerschaut, A.; Rouxel, J.","Structural determination and transport properties of a new phase with approximate composition Sn1.2 Ti.8 S3","Materials Research Bulletin","1987","22","","1573","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","154982","2020-10-21","18:00:00",""
"1530137","17.661","","11.854","","8.698","","90","","90","","132.32","","1346.41","","","","","","","","","","","","","4","B 1 1 2/b","-B 2b","15","","K2 Ce Si6 O15","","- Ce K2 O15 Si6 -","- Ce K2 O15 Si6 -","- Ce4 K8 O60 Si24 -","4","0.5","","Karpov, O.G.; Pobedimskaya, E.A.; Belov, N.V.","Crystal structure of a K, Ce silicate with a three-dimensional anion framework: K2 Ce Si6 O15","Kristallografiya","1977","22","","382","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530150","4.59","","4.59","","2.96","","90","","90","","90","","62.362","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Ti O2","","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Khitrova, V.I.; Bundule, M.F.; Pinsker, Z.G.","An electron-diffraction investigation of titanium dioxide in thin films","Kristallografiya","1977","22","","1253","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530151","3.78","","3.78","","9.51","","90","","90","","90","","135.883","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Ti O2","","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Khitrova, V.I.; Bundule, M.F.; Pinsker, Z.G.","An electron-diffraction investigation of titanium dioxide in thin films","Kristallografiya","1977","22","","1253","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530174","10.2","","11.85","","13.12","","90","","119","","90","","1386.98","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K8 Zr (Mo O4)6","","- K8 Mo6 O24 Zr -","- K8 Mo6 O24 Zr -","- K16 Mo12 O48 Zr2 -","2","0.5","","Klevtsova, R.F.; Glinskaya, L.A.; Pasechnyuk, N.P.","Crystal structure of the binary molybdates K8 Zr (Mo O4)6 and K8 Hf (Mo O4)6","Kristallografiya","1977","22","","1191","1195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530175","10.175","","11.771","","13.102","","90","","118.82","","90","","1374.86","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K8 Hf (Mo O4)6","","- Hf K8 Mo6 O24 -","- Hf K8 Mo6 O24 -","- Hf2 K16 Mo12 O48 -","2","0.5","","Klevtsova, R.F.; Glinskaya, L.A.; Pasechnyuk, N.P.","Crystal structure of the binary molybdates K8 Zr (Mo O4)6 and K8 Hf (Mo O4)6","Kristallografiya","1977","22","","1191","1195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530213","7.133","","10.37","","10.512","","113.93","","93.5","","107.63","","662.08","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)4 (Se O4) (H Se O4)2","","- H18 N4 O12 Se3 -","- N4 O12 Se3 -","- N8 O24 Se6 -","2","1","","Kruglik, A.I.; Simonov, M.A.","The crystal structure of (N H4)2 Se O4 (N H4 H Se O4)2","Kristallografiya","1977","22","","1082","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","155276","2020-10-21","18:00:00",""
"1530270","5.865","","5.865","","22.99","","90","","90","","120","","684.866","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","La0.96 Mn In0.5 Ga10.5 O19","","- Ga10.5 In0.5 La0.96 Mn O19 -","- Ga10.5 In0.5 La0.96 Mn O19 -","- Ga21 In La1.92 Mn2 O38 -","2","0.0833333","","Lefebvre, D.; Kahn, A.; Thery, J.","Substituted lanthanum hexagallates as epitaxial growth substrates","Materials Research Bulletin","1987","22","","1039","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530356","7.096","","7.486","","14.614","","90","","103.01","","90","","756.378","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ta2 Te2 O9","","- O9 Ta2 Te2 -","- O9 Ta2 Te2 -","- O36 Ta8 Te8 -","4","1","","Martinez-Carrera, S.; Gaitan, M.; Pico, C.; Sanz, J.; Jerez, A.; Veiga, M.L.","Mixed oxides of the system M(V) Te(IV) O2 (M=Nb,Ta,Sb); II. Crystal structure of Ta2 Te2 O9","Materials Research Bulletin","1987","22","","1405","1412","","","","","","","","","","","","","","","","","","","","","","has coordinates","155441","2020-10-21","18:00:00",""
"1530359","9.737","","8.998","","5.27","","90","","106.11","","90","","443.592","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ca0.90 Mg0.71 Fe0.25 Si2 O6","","- Ca0.9 Fe0.25 Mg0.71 O6 Si2 -","- Ca0.91 Fe0.25 Mg0.71 O6 Si2 -","- Ca3.64 Fe Mg2.84 O24 Si8 -","4","0.5","","Maslenikov, A.V.; Nikitina, L.P.; Rozhdestvenskaya, I.V.","Refinement of the structure of a diopside of altered composition calcined at various temperatures","Kristallografiya","1977","22","","753","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","155444","2020-10-21","18:00:00",""
"1530424","14.079","","14.079","","14.187","","90","","90","","120","","2435.37","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Cu I) (Se3)","","- Cu I Se3 -","- Cu I Se3 -","- Cu18 I18 Se54 -","18","0.5","","Milius, W.; Rabenau, A.","The crystal structure of copper iodide triselenide Cu I Se3, a reactant in an n-Cu In Se2 based solar cell","Materials Research Bulletin","1987","22","","1493","1497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530500","17.909","","6.243","","5.899","","90","","90","","90","","659.543","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb H3 (Se O3)2","","- H3 O6 Rb Se2 -","- H3 O6 Rb Se2 -","- H12 O24 Rb4 Se8 -","4","1","","Nozik, Yu.Z.; Fykin, L.E.; Muradyan, L.A.; Sarin, V.A.","Location of the hydrogen atoms in the crystal structure of rubidium trihydroselenite Rb H3 (Se O3)2 by neutron diffraction","Kristallografiya","1977","22","","69","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530505","3.87","","3.869","","11.715","","90","","90","","90","","175.409","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Ba2 Y Cu2.88 O6.61","","- Ba2 Cu2.88 O6.61 Y -","- Ba2 Cu2.88 O6.61 Y -","- Ba2 Cu2.88 O6.61 Y -","1","0.125","","Okamura, F.P.; Sueno, S.; Nakai, I.; Ono, A.","Crystal structure of Ba2 Y Cu3-x O7-y. A superconductive compound determined by X-ray single crystal diffraction method","Materials Research Bulletin","1987","22","","1081","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530506","3.8693","","3.8693","","11.715","","90","","90","","90","","175.391","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Ba2 Y Cu2.89 O6.66","","- Ba2 Cu2.89 O6.66 Y -","- Ba2 Cu2.89 O6.66 Y -","- Ba2 Cu2.89 O6.66 Y -","1","0.0625","","Okamura, F.P.; Sueno, S.; Nakai, I.; Ono, A.","Crystal structure of Ba2 Y Cu3-x O7-y. A superconductive compound determined by X-ray single crystal diffraction method","Materials Research Bulletin","1987","22","","1081","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530549","7.588","","7.588","","7.588","","90","","90","","90","","436.9","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","D.99 Mo O3","","- D0.99 Mo O3 -","- D0.99 Mo O3 -","- D7.92 Mo8 O24 -","8","0.166667","","Parise, J.B.; McCarron, E.M.; Sleight, A.W.","A new modification of Re O3 -type Mo O3 and the deuterated intercalation compound from which it is derived: D0.99 Mo O3","Materials Research Bulletin","1987","22","","803","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530561","4.206","","4.116","","20.89","","90","","90","","90","","361.646","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- La Re2 Si2 -","- La Re2 Si2 -","- La4 Re8 Si8 -","4","0.25","","Pecharskii, V.K.; Bodak, O.I.; Gladyshevskii, E.I.","Crystal structure of the compound La Re2 Si2","Kristallografiya","1977","22","","630","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530565","6.509","","6.509","","6.509","","88.83","","88.83","","88.83","","275.597","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Ce Mo6 S8 -","- Ce0.978 Mo6 S8 -","- Ce0.978 Mo6 S8 -","1","0.166667","","Pena, O.; Padiou, J.; Horyn, R.; Potel, M.; Geantet, C.; Sergent, M.","Crystal growth, crystal structure and physical characterization of Ce Mo6 S8","Materials Research Bulletin","1987","22","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530628","17.859","","3.433","","8.804","","90","","104.26","","90","","523.141","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tl.97 Ti5 S8","","- S8 Ti5 Tl0.97 -","- S8 Ti5 Tl0.971 -","- S16 Ti10 Tl1.942 -","2","0.25","","Quint, R.; Boller, H.","On the crystal chemistry of hollandite-like phases with Tl V5 S8 structure: The crystal structures of Tlx Ti5 S8, Tlx V5 S8 and Tl Cr5 S8","Materials Research Bulletin","1987","22","","1499","1504","","","","","","","","","","","","","","","","","","","","","","has coordinates","155763","2020-10-21","18:00:00",""
"1530633","4.4839","","4.5385","","3.136","","90","","90","","90","","63.818","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Pt O2","","- O2 Pt -","- O2 Pt -","- O4 Pt2 -","2","0.25","","Range, K.J.; Klement, U.; Rau, F.; Heyns, A.M.","beta-Pt O2: High pressure synthesis of single crystals and structure refinement","Materials Research Bulletin","1987","22","","1541","1547","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530651","8.786","","9.907","","17.73","","90","","92.09","","90","","1542.24","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Hf (S O4)2 (Na2 (S O4))2 (H2 O)2","","- H4 Hf Na4 O18 S4 -","- Hf Na4 O18 S4 -","- Hf4 Na16 O72 S16 -","4","1","","Rogachev, D.L.; Sadikov, G.G.; Dikareva, L.M.; Kuznetsov, V.J.","The structure of hafnium and sodium disulfate Hf (S O4)2 (Na2 S O4)2 (H2 O)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530652","7.091","","7.791","","22.179","","90","","90","","90","","1225.3","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na2 Hf (S O4)3 (H2 O)3","","- H6 Hf Na2 O15 S3 -","- Hf Na2 O15 S3 -","- Hf4 Na8 O60 S12 -","4","1","","Rogachev, D.L.; Dikareva, L.M.; Nikolaev, V.P.; Kuznetsov, V.J.","The structure of hafnium and sodium sulfate Hf (S O4)2 (Na2 S O4) (H2 O)3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","194","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530701","12.07","","12.07","","4.39","","90","","90","","90","","639.557","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Rb F H2 O2","","- F H2 O2 Rb -","- F H2 O2 Rb -","- F8 H16 O16 Rb8 -","8","1","","Sarin, V.A.; Dudarev, V.Ya.; Dobrynina, T.A.; Zavodnik, V.E.; Fykin, L.E.","X-ray and neutron structural investigation of Rb F * H2 O2 crystals","Kristallografiya","1977","22","","982","987","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530733","5.5688","","5.5984","","7.8764","","90","","90.18","","90","","245.556","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 Ni Ru O6","","- La2 Ni O6 Ru -","- La2 Ni O6 Ru -","- La4 Ni2 O12 Ru2 -","2","0.5","","Seinen, P.A.; van Berkel, F.P.F.; Groen, W.A.; Ijdo, D.J.W.","The ordered perovskite system Ln2 Ni Ru O6","Materials Research Bulletin","1987","22","","535","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530735","5.358","","9.297","","10.318","","90","","100.02","","90","","506.134","","","","","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","(K.92 Na.08) (Mg2.88 Fe.12) (Si3.0 Fe.88 Al.12) O10 (O H)2","","- Al0.12 Fe H2 K0.92 Mg2.88 Na0.08 O12 Si3 -","- Al0.12 Fe K0.92 Mg2.88 Na0.08 O12 Si3 -","- Al0.24 Fe2 K1.84 Mg5.76 Na0.16 O24 Si6 -","2","0.25","","Semenova, T.F.; Rozhdestvenskaya, I.V.; Frank-Kamenetskii, V.A.","Refinement of the crystal structure of tetraferriphlogopite","Kristallografiya","1977","22","","1196","1201","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530743","14.653","","10.799","","12.664","","90","","119.95","","90","","1736.32","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(U O2) (Se O4) (H2 O)4","","- H8 O10 Se U -","- O10 Se U -","- O80 Se8 U8 -","8","1","","Serezhkin, V.N.; Soldatkina, M.A.; Efremov, V.A.","The crystal structure of the uranyl selenate tetrahydrate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","171","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530744","11.334","","7.715","","21.709","","90","","102.22","","90","","1855.26","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Mg U O2 (S O4)2 (H2 O)11","","- H22 Mg O21 S2 U -","- Mg O21 S2 U -","- Mg4 O84 S8 U4 -","4","0.5","","Serezhkin, V.N.; Soldatkina, M.A.; Efremov, V.A.","The crystal structure of Mg U O2 (S O4)2 (H2 O)11","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","174","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530759","5.135","","8.894","","19.36499","","90","","94.17","","90","","882.071","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na Al2 (Si2.98 Al1.02 O10) (O H)2","","- Al3.02 H2 Na O12 Si2.98 -","- Al3.02 Na O12 Si2.98 -","- Al12.08 Na4 O48 Si11.92 -","4","0.5","","Sidorenko, O.V.; Zvyagin, B.B.; Soboleva, S.V.","Refinment of the crystal structure of 2M1 paragonite by the method of high-voltage electron diffraction","Kristallografiya","1977","22","","971","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530760","5.132","","5.132","","28.71999","","90","","90","","120","","655.071","","","","","","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","Na Al2 (Al Si3 O10) (O H)2","","- Al3 H2 Na O12 Si3 -","- Al3 Na O12 Si3 -","- Al9 Na3 O36 Si9 -","3","0.5","","Sidorenko, O.V.; Zvyagin, B.B.; Soboleva, S.V.","The crystal structure of 3T paragonite","Kristallografiya","1977","22","","976","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530764","9.09","","8.64","","9.99","","106.833","","106.666","","81.666","","717.786","","","","","","","","","","","","","4","P -1","-P 1","2","","Ni (B6 O7 (O H)6 ) (H2 O)5","","- B6 H16 Ni O18 -","- B6 Ni O18 -","- B12 Ni2 O36 -","2","1","","Silin', E.Ya.; Levin'sh, A.F.","Crystal structure of the octahydrate of nickel hexaborate Ni (B6 O7 (O H)6 ) (H2 O)5","Kristallografiya","1977","22","","505","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530775","10.204","","5.3852","","9.669","","90","","90","","102.23","","519.259","","","","","","","","","","","","","3","B 1 1 2/b","-B 2b","15","","Cd (Ge O3)","","- Cd Ge O3 -","- Cd Ge O3 -","- Cd8 Ge8 O24 -","8","1","","Simonov, M.A.; Belokoneva, E.L.; Belov, N.V.","The refinement of the crystal structure of Cd2 (Ge O4) and Cd2 (Ge2 O6)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","199","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530779","7.632","","7.632","","5.566","","90","","90","","90","","324.205","","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","Li Eu (S O4)2","","- Eu Li O8 S2 -","- Eu Li O8 S2 -","- Eu2 Li2 O16 S4 -","2","0.5","","Sirotinkin, S.P.; Efremov, V.A.; Kovba, L.M.; Pokrovskii, A.N.","Crystal structure of lithium-europium double sulfate","Kristallografiya","1977","22","","966","970","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530780","21.72","","6.904","","6.673","","90","","90","","109.78","","941.61","","","","","","","","","","","","","3","B 1 1 2/b","-B 2b","15","","Nd2 (S O4)3","","- Nd2 O12 S3 -","- Nd2 O12 S3 -","- Nd8 O48 S12 -","4","0.5","","Sirotinkin, S.P.; Efremov, V.A.; Kovba, L.M.; Pokrovskii, A.N.","The crystal structure of anhydrous neodymium sulfate Nd2 (S O4)3","Kristallografiya","1977","22","","1272","1273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530797","5.135","","8.89","","9.74","","90","","99.67","","90","","438.315","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na.91 Al2 (Si3.09 Al.91) O10 (O H)2","","- Al2.91 H2 Na0.91 O12 Si3.09 -","- Al2.91 Na0.91 O12 Si3.09 -","- Al5.82 Na1.82 O24 Si6.18 -","2","0.25","","Soboleva, S.V.; Sidorenko, O.V.; Zvyagin, B.B.","Crystal structure of paragonite 1M","Kristallografiya","1977","22","","510","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530882","6.385","","6.385","","18.04","","90","","90","","120","","636.926","","","","","","","","","","","","","2","P 61","P 61","169","","","","- Ga2 S3 -","- Ga2.02 S3 -","- Ga12.12 S18 -","6","1","","Tomas, A.; Guymont, M.; Pardo, M.P.; Guittard, M.; Famery, R.","Determination des structures des formes alpha and beta de Ga2 S3","Materials Research Bulletin","1987","22","","1549","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530883","3.682","","3.682","","6.031","","90","","90","","120","","70.809","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","(Ga2 S3)0.667","","- Ga1.334 S2.001 -","- Ga1.334 S2 -","- Ga1.334 S2 -","1","0.0833333","","Tomas, A.; Guymont, M.; Pardo, M.P.; Guittard, M.; Famery, R.","Determination des structures des formes alpha and beta de Ga2 S3","Materials Research Bulletin","1987","22","","1549","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","156113","2020-10-21","18:00:00",""
"1530900","13.004","","9.268","","8.873","","90","","90","","90","","1069.38","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Cu S O4 (C O (N H2)2 )3","","- C3 H12 Cu N6 O7 S -","- C3 H12 Cu N6 O7 S -","- C12 H48 Cu4 N24 O28 S4 -","4","0.5","","Treushnikov, E.N.; Kuskov, V.I.; Belov, N.V.","X-ray structural study of the electron structure of cupric sulfate tricarbamide Cu S O4 * 3C O (N H2)2","Kristallografiya","1977","22","","994","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530950","5.867","","5.867","","13.489","","90","","90","","120","","402.108","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba Fe2 Ru4 O11","","- Ba Fe2 O11 Ru4 -","- Ba Fe1.998 O11 Ru3.99 -","- Ba2 Fe3.996 O22 Ru7.98 -","2","0.0833333","","Verdoes, D.; Zandbergen, H.W.; Ijdo, D.J.W.","Equilibria description for the system Ba O - Ru O2 - Fe2 O3 with less than 55 mol% Ba O at 1300 deg.C in platinum capsules; A crystallographic and leaching study","Materials Research Bulletin","1987","22","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530956","8.8056","","8.8056","","4.7232","","90","","90","","120","","317.165","","","","","","","","","","","","","3","P 3","P 3","143","","Mn (Sb2 O6)","","- Mn O6 Sb2 -","- Mn O6 Sb2 -","- Mn3 O18 Sb6 -","3","1","","Vincent, H.; Turrillas, X.M.; Rasines, I.","A novel structure type of hexagonal closest packing: The ternary oxide, beta Mn Sb2 O6","Materials Research Bulletin","1987","22","","1369","1379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531009","3.831","","9.862","","13.003","","90","","90","","90","","491.271","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Hf3 Ni2 Si3 -","- Hf3 Ni2 Si3 -","- Hf12 Ni8 Si12 -","4","0.25","","Yarmolyuk, Ya.P.; Grin', Yu.; Gladyshevskii, E.I.","Crystal structure of Hf3 Ni2 Si3","Kristallografiya","1977","22","","726","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531019","12.34","","9.95","","7.85","","90","","92.1","","90","","963.199","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ca B4 O7","","- B4 Ca O7 -","- B4 Ca O7 -","- B32 Ca8 O56 -","8","2","","Zayakina, N.V.; Brovkin, A.A.","Crystal structure of Ca B4 O7","Kristallografiya","1977","22","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531022","5.23","","9.05","","10.15","","90","","100.58","","90","","472.247","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","K ((Fe1.5 Mg0.5) Si4 O10) (O H)2","","- Fe1.5 H2 K Mg0.5 O12 Si4 -","- Fe1.5 K Mg0.5 O12 Si4 -","- Fe3 K2 Mg O24 Si8 -","2","0.25","","Zhukhlistov, A.P.; Zvyagin, B.B.; Pavlishin, V.I.; Lazarenko, E.K.","Refinement of the crystal structure of ferrous celadonite","Kristallografiya","1977","22","","498","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531207","6.671","","19.054","","8.839","","90","","94.55","","90","","1119.98","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs (Pr (H2 O)3 (S O4)2) (H2 O)","","- Cs H8 O12 Pr S2 -","- Cs O12 Pr S2 -","- Cs4 O48 Pr4 S8 -","4","1","","Bukovec, P.; Golic, L.","The salts and double salts of rare earths. II. Crystal structure of cesium bis-sulfato tri-aquo praseodimate(III) monohydrate","Documenta Chemica Yugoslavica. Vestnik Slovenskega Kemijskega Drustva","1975","22","","19","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531421","7.8137","","7.8137","","5.6935","","90","","90","","120","","301.039","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","(Nd0.34 Si9.83 Al2.17) O1.15 N14.85","","- Al2.17 N14.85 Nd0.34 O1.15 Si9.83 -","- Al2.172 N14.848 Nd0.34 O1.152 Si9.828 -","- Al2.172 N14.848 Nd0.34 O1.152 Si9.828 -","1","0.166667","","Herrmann, M.; Kurama, S.; Mandal, H.","Investigation of the phase composition and stability of the alpha-(Si Al O N)s by the Rietveld method","Journal of the European Ceramic Society","2002","22","","2997","3005","","","","","","","","","","","","","","","","","","","","","","has coordinates","156888","2020-10-21","18:00:00",""
"1531424","7.8106","","7.8106","","5.6935","","90","","90","","120","","300.801","","","","","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","(Y0.34 Si9.91 Al2.09) O1.07 N14.93","","- Al2.09 N14.93 O1.07 Si9.91 Y0.34 -","- Al2.088 N14.928 O1.072 Si9.912 Y0.34 -","- Al2.088 N14.928 O1.072 Si9.912 Y0.34 -","1","0.166667","","Herrmann, M.; Kurama, S.; Mandal, H.","Investigation of the phase composition and stability of the alpha-(Si Al O N)s by the Rietveld method","Journal of the European Ceramic Society","2002","22","","2997","3005","","","","","","","","","","","","","","","","","","","","","","has coordinates","156891","2020-10-21","18:00:00",""
"1531508","8.8043","","8.8043","","22.7585","","90","","90","","120","","1527.79","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na Zr2 (P O4)3","","- Na O12 P3 Zr2 -","- Na O12 P3 Zr2 -","- Na6 O72 P18 Zr12 -","6","0.166667","","Hagman, L.O.; Kierkegaard, P.","The crystal structure of Na Me2 (P O4)3, Me = Ge, Ti, Zr","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","1822","1832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531631","9.89","","18.03","","5.31","","90","","105.2","","90","","913.737","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(K0.3 Na0.6) (Ca1.7 Mg0.3) (Mg3 Fe Fe0.5 Al0.3 Ti0.2) (Al1.6 Si6.4 O22.5 (O H)1.5)","","- Al1.9 Ca1.7 Fe1.5 H1.5 K0.3 Mg3.3 Na0.6 O24 Si6.4 Ti0.2 -","- Al1.9 Ca1.7 Fe1.5 K0.3 Mg3.3 Na0.6 O24 Si6.4 Ti0.2 -","- Al3.8 Ca3.4 Fe3 K0.6 Mg6.6 Na1.2 O48 Si12.8 Ti0.4 -","2","0.25","","Kawahara, A.; Ohno, M.; Takano, Y.","Structural study of the amphibole in volcanic tuff","Scientific Papers of the College of General Education, University of Tokyo","1972","22","","67","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531786","5.365","","8.509","","13.804","","90","","111.45","","90","","586.516","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Y0.333 Ce0.667) Y (Si2 O7)","","- Ce0.667 O7 Si2 Y1.333 -","- Ce0.665 O7 Si2 Y1.335 -","- Ce2.66 O28 Si8 Y5.34 -","4","1","","Monteverde, F.; Celotti, G.","Structural data from X-ray powder diffraction for new high-temperature phases (Y1-x Lnx)2 Si2 O7 with Ln = Ce, Pr, Nd","Journal of the European Ceramic Society","2002","22","","721","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","157346","2020-10-21","18:00:00",""
"1531787","5.37","","8.542","","13.838","","90","","111.76","","90","","589.527","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Y Pr (Si2 O7)","","- O7 Pr Si2 Y -","- O7 Pr Si2 Y -","- O28 Pr4 Si8 Y4 -","4","1","","Monteverde, F.; Celotti, G.","Structural data from X-ray powder diffraction for new high-temperature phases (Y1-x Lnx)2 Si2 O7 with Ln = Ce, Pr, Nd","Journal of the European Ceramic Society","2002","22","","721","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531789","5.362","","8.496","","13.782","","90","","111.46","","90","","584.32","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Y1.2 Nd0.8) (Si2 O7)","","- Nd0.8 O7 Si2 Y1.2 -","- Nd0.8 O7 Si2 Y1.2 -","- Nd3.2 O28 Si8 Y4.8 -","4","1","","Monteverde, F.; Celotti, G.","Structural data from X-ray powder diffraction for new high-temperature phases (Y1-x Lnx)2 Si2 O7 with Ln = Ce, Pr, Nd","Journal of the European Ceramic Society","2002","22","","721","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","157352","2020-10-21","18:00:00",""
"1532016","10.724","","4.447","","4.2392","","90","","90","","90","","202.166","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Sr (B4 O7)","","- B4 O7 Sr -","- B4 O7 Sr -","- B8 O14 Sr2 -","2","0.5","","Pan, F.; Wang, R.-J.; Wei, J.-Z.; Shen, G.-Q.; Wang, X.-Q.; Shen, D.-Z.","The crystal structure and NLO property of strontium tetraborate Sr B4 O7","Gaodeng Xuexiao Huaxue Xuebao","2001","22","","154","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532262","6.6011","","6.6011","","5.9811","","90","","90","","90","","260.624","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Zr (Si0.993 V0.007) O4","","- O4 Si0.993 V0.007 Zr -","- O4 Si0.993 V0.007 Zr -","- O16 Si3.972 V0.028 Zr4 -","4","0.125","","Torres, F.J.; Tena, M.A.; Alarcon, J.","Rietveld refinement study of vanadium distribution in V(+4) - (Zr Si O4) solid solutions obtained from gels","Journal of the European Ceramic Society","2002","22","","1991","1994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533462","7.5981","","11.322","","11.3254","","90","","109.8","","90","","916.676","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dy2 (W O4)3","","- Dy2 O12 W3 -","- Dy2 O12 W3 -","- Dy8 O48 W12 -","4","0.5","","Shen Rong; Wang Cong; Dong Cheng; Wang Tianmin; Liang Jingkui; Chen Xiaolong","Crystal structures of Dy2 (W O4)3 and Gd Y (W O4)3","Rare Metals","2003","22","","49","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","159707","2020-10-21","18:00:00",""
"1533466","7.6175","","11.3543","","11.3496","","90","","109.801","","90","","923.6","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Gd Y (W O4)3","","- Gd O12 W3 Y -","- Gd O12 W3 Y -","- Gd4 O48 W12 Y4 -","4","0.5","","Shen Rong; Wang Cong; Chen Xiaolong; Dong Cheng; Wang Tianmin; Liang Jingkui","Crystal structures of Dy2 (W O4)3 and Gd Y (W O4)3","Rare Metals","2003","22","","49","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533478","9.447","","9.447","","15.83","","90","","90","","120","","1223.49","","","","","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","Na (Co (H2 O)2) (B P2 O8) (H2 O)","","- B Co H6 Na O11 P2 -","- B Co H4 Na O11 P2 -","- B6 Co6 H24 Na6 O66 P12 -","6","0.5","","Shi Hengzhen; Shan Yongkui; Dai Liyi; Liu Yuyan; Weng Linhong","Crystal structure of borophosphate with 61 screw axis helices","Jiegon Huaxue","2003","22","","391","394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534048","15.319","","15.319","","30.645","","90","","90","","90","","7191.52","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","H10 (Ni Mo12 O40 (Ni (H2 O)3)4)","","- H34 Mo12 Ni5 O52 -","- Mo12 Ni5 O52 -","- Mo48 Ni20 O208 -","4","0.125","","Lin Zhihua; Zhang Hanhui; Wu Xiaoyuan; Huang Changcang; Sun Ruiqing","Hydrothermal synthesis and crystal structure of H10 (Ni Mo(V)12 O40 (Ni (H2 O)3)4)","Jiegon Huaxue","2003","22","","07","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534213","8.26","","17.953","","13.735","","90","","129.09","","90","","1580.87","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","((O H)2 (O H)4 ((N H3)4 Cr)2 ((N H3)2 Cr)2) Cl6 (H2 O)4","","- Cl6 Cr4 H50 N12 O10 -","- Cl6 Cr4 H50 N12 O10 -","- Cl12 Cr8 H100 N24 O20 -","2","0.5","","Bang, E.","The crystal structure of a bridged chromium(III) complex: Di-mue-hydroxo-tetrakis-mue-hydroxo-bis(tetraammine- chromium(III))-bis(diamminechromium(III))","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","2671","2684","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1534510","13.113","","20.098","","16.278","","90","","95.917","","90","","4267.13","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(N H4)10 (P2 W18 Cd4 (H2 O)2 O68) (H2 O)27","","- Cd4 H98 N10 O97 P2 W18 -","- Cd4 N10 O97 P2 W18 -","- Cd8 N20 O194 P4 W36 -","2","0.5","","Alizadeh, M.H.; Mohammadi Zonoz, F.; Razavi, H.; Mohammadi, M.R.","Synthesis, single-crystal structural determination and solution characterization of a new sandwich-type cadmium - containing heteropolytungstate","Polyhedron","2003","22","","933","939","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534700","5.623","","5.623","","23.119","","90","","90","","90","","730.98","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Pb O)6 Nb O2.5 Pb Br2","","- Br2 Nb O8.5 Pb7 -","- Br2 Nb O8 Pb7 -","- Br2 Nb O8 Pb7 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of Some Non-Stoichiometric Mixed Lead Oxide Halides and Their Relation to the Minerals ""Lorettoite"" and Sundiusite","Chemica Scripta","1983","22","","5","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534702","3.9473","","3.9473","","23.221","","90","","90","","90","","361.811","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Pb O)6.5 (Cr O3).5 Pb Cl2","","- Cl2 Cr0.5 O8 Pb7.5 -","- Cl2 Cr0.5 O8 Pb7.5 -","- Cl2 Cr0.5 O8 Pb7.5 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of Some Non-Stoichiometric Mixed Lead Oxide Halides and Their Relation to the Minerals ""Lorettoite"" and Sundiusite","Chemica Scripta","1983","22","","5","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","161650","2020-10-21","18:00:00",""
"1534705","3.9346","","3.9346","","23.209","","90","","90","","90","","359.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Pb O)6.5 (S O3).5 Pb Cl2","","- Cl2 O8 Pb7.5 S0.5 -","- Cl2 O8 Pb7.5 S0.5 -","- Cl2 O8 Pb7.5 S0.5 -","1","0.03125","","Aurivillius, B.","On the Crystal Structure of Some Non-Stoichiometric Mixed Lead Oxide Halides and Their Relation to the Minerals ""Lorettoite"" and Sundiusite","Chemica Scripta","1983","22","","5","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","161655","2020-10-21","18:00:00",""
"1534880","11.992","","17.1","","18.038","","90","","105.89","","90","","3557.59","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Na3 (N H4)3 (V10 O28) (H2 O)12","","- H36 N3 Na3 O40 V10 -","- H36 N3 Na3 O40 V10 -","- H144 N12 Na12 O160 V40 -","4","1","","Maciejewska, G.; Nosek, M.; Glovyak, T.; Starosta, J.; Cieslak-Golonka, M.","Catalytical decomposition of L-glutamic acid and L-glutamine vanadium species. Electronic spectra of ammonium-sodium oligovanadates isolated from the system (Na V O3 (V O S O4) - Glu(Gln)). Crystal structure of Na3 (N H4)3 (V10 O28) * 12(H2 O)","Polyhedron","2003","22","","1415","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535857","8.98","","5.75","","10.23","","90","","115","","90","","478.735","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","(Ca1.2 Ce0.8) Fe Al2 O (Si2 O7) (Si O4) (O H)","","- Al2 Ca1.2 Ce0.8 Fe H O13 Si3 -","- Al2 Ca1.2 Ce0.8 Fe O13 Si3 -","- Al4 Ca2.4 Ce1.6 Fe2 O26 Si6 -","2","0.5","","Ueda, T.","The crystal structure of Allanite, (O H) (Ca Ce)2 (Fe(III) Fe(II)) Al2 O (Si2 O7) (Si O4)","Memoirs of the College of Science, University of Kyoto, Series B","1955","22","","145","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536573","6.4724","","7.9651","","9.4229","","104.447","","108.919","","101.741","","423.022","","","","","","","","","","","","","3","P -1","-P 1","2","","Fe2 Fe1.5 (P O4)3","","- Fe3.5 O12 P3 -","- Fe3.5 O12 P3 -","- Fe7 O24 P6 -","2","1","","Duan Liying; Wang Enbo; Liu Fuchen; Li Yangguang; Hu Changwen; Xu Lin","Hydrothermal synthesis and properties of open-framework mixed-valence iron phosphates Fe2(III) Fe1.5(II) (P O4)3 with three-dimensional structure","Chinese Journal of Chemistry","2004","22","","55","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","164330","2020-10-21","18:00:00",""
"1536798","7.7436","","7.7436","","11.6403","","90","","90","","90","","697.991","","","","","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","(N H4)2 (Re I6)","","- H8 I6 N2 Re -","- H8 I6 N2 Re -","- H16 I12 N4 Re2 -","2","0.125","","Kochel, A.","Synthesis, structure and magnetic susceptibility of ammonium hexaiodorhenate(IV)","Materials Science","2004","22","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537586","4.8122","","4.8122","","7.6157","","90","","90","","90","","176.359","","","","","","","","","","","","","2","P 41 21 2","P 4abw 2nw","92","","Te O2","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","0.5","","Lindqvist, O.","Refinement of the structure of alpha-Te O2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","977","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537645","5.8646","","5.8646","","3.1798","","90","","90","","90","","109.365","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Sb20 Sn80)0.04","","- Sb0.8 Sn3.2 -","- Sb0.8 Sn3.2 -","- Sb0.8 Sn3.2 -","1","0.03125","","Allen, W.P.; Perepezko, J.H.","Solidification of undercooled Sn-Sb peritectic alloys: Part I. Microstructural evolution","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1991","22","","753","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538441","8.48","","8.48","","6.671","","90","","90","","120","","415.445","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Yb4.7 As3","","- As3 Yb4.7 -","- As3 Yb4.7 -","- As6 Yb9.4 -","2","0.0833333","","Ono, S.; Calvert, L.D.; Despault, J.G.; Taylor, J.B.","Rare-earth arsenides","Journal of the Less-Common Metals","1970","22","","51","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","166991","2020-10-21","18:00:00",""
"1538487","5.1864","","5.1864","","18.87","","90","","90","","120","","439.577","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co3 Ta -","- Co3 Ta -","- Co27 Ta9 -","9","0.25","","Ponsioen, J.C.M.A.; van Vucht, J.H.N.","The Structure of beta-Ta Co3 and the Effect of the Substitution of Ta and Co by Related Elements","Philips Research Reports","1967","22","","161","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538751","4.5092","","4.5092","","4.5092","","90","","90","","90","","91.685","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sc N","","- N Sc -","- N Sc -","- N4 Sc4 -","4","0.0208333","","Klesnar, H.P.; Rogl, P.","Phase relations in the ternary systems rare-earth metal (RE)- boron - nitrogen, where RE= Tb, Dy, Ho, Er, Tm, Lu, Sc und Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538753","4.8935","","4.8935","","4.8935","","90","","90","","90","","117.181","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Y N","","- N Y -","- N Y -","- N4 Y4 -","4","0.0208333","","Klesnar, H.P.; Rogl, P.","Phase relations in the ternary systems rare-earth metal (RE)- boron - nitrogen, where RE= Tb, Dy, Ho, Er, Tm, Lu, Sc und Y","High Temperatures-High Pressures","1990","22","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538837","5.407","","5.407","","5.407","","90","","90","","90","","158.077","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Cu Ga) Se2","","- Cu Ga Se2 -","- Cu Ga Se2 -","- Cu2 Ga2 Se4 -","2","0.0104167","","Kraft, A.; Vollstaedt, H.; Kuehn, G.; Moeller, W.","Behaviour of Cu Ga Se2 and Cu Ga Te2 under high pressure","Materials Research Society Symposia Proceedings","1984","22","","31","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538883","3.446","","3.446","","4.381","","90","","90","","90","","52.024","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(In3 Sn)0.5","","- In1.5 Sn0.5 -","- In1.5 Sn0.5 -","- In1.5 Sn0.5 -","1","0.03125","","Kubiak, R.; Lukaszewicz, K.","Crystal structure and thermal expansion of indium tin (In3 Sn and In Sn4)","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1974","22","","281","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","167581","2020-10-21","18:00:00",""
"1538894","5.489","","5.489","","5.489","","90","","90","","90","","165.379","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li Tb S2","","- Li S2 Tb -","- Li S2 Tb -","- Li2 S4 Tb2 -","2","0.0104167","","Ohtani, T.; Honjo, H.; Wada, H.","Synthesis, order-disorder transition and magnetic properties of LiLnS2, LiLnSe2, NaLnS2 and NaLnSe2 (Ln=Lanthanides)","Materials Research Bulletin","1987","22","","829","840","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538963","7.6898","","7.478","","10.6816","","90","","135.96","","90","","426.994","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Mo O3 -","- Mo O3 -","- Mo8 O24 -","8","2","","Parise, J.B.; McCarron, E.M.; Sleight, A.W.","A new modification of Re O3 -type Mo O3 and the deuterated intercalation compound from which it is derived: D0.99 Mo O3","Materials Research Bulletin","1987","22","","803","811","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539115","7.2019","","7.2019","","6.0315","","90","","90","","120","","270.926","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs Co Cl3","","- Cl3 Co Cs -","- Cl3 Co Cs -","- Cl6 Co2 Cs2 -","2","0.0833333","","Soling, H.","The Crystal Structure and Magnetic Susceptibility of Cs Co Cl3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","2793","2802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539452","7.4298","","7.4298","","7.4298","","90","","90","","90","","410.139","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Ti4 P3","","- P3 Ti4 -","- P3 Ti4 -","- P12 Ti16 -","4","0.0833333","","Snell, P.O.","Phase relationships in the Ti-P system with some notes on the crystal structures of TiP2 and ZrP2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","1942","1952","","","","","","","","","","","","","","","","","","","","","","has coordinates","168372","2020-10-21","18:00:00",""
"1539465","4.042","","4.042","","9.707","","90","","90","","90","","158.591","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ho Ir2 Si2 -","- Ho Ir2 Si2 -","- Ho2 Ir4 Si4 -","2","0.0625","","Zhong, W.X.; Lloret, B.; Hagenmuller, P.; Chevalier, B.; Ng, W.L.; Etourneau, J.","Crystallochemical aspects and the existance of MTSi3-type ternary silicides of the structure type barium-nickel-tin (Ba Ni Sn3) (M= thorium, yttrium, lanthanide and T= ruthenium, osmium, cobalt, rhodium, iridium)","Revue de Chimie Minerale","1985","22","","711","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539467","4.078","","4.078","","10.097","","90","","90","","90","","167.914","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ir2 Nd Si2 -","- Ir2 Nd Si2 -","- Ir4 Nd2 Si4 -","2","0.0625","","Zhong, W.X.; Etourneau, J.; Ng, W.L.; Lloret, B.; Chevalier, B.; Hagenmuller, P.","Crystallochemical aspects and the existance of MTSi3-type ternary silicides of the structure type barium-nickel-tin (Ba Ni Sn3) (M= thorium, yttrium, lanthanide and T= ruthenium, osmium, cobalt, rhodium, iridium)","Revue de Chimie Minerale","1985","22","","711","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539471","4.063","","4.063","","10.016","","90","","90","","90","","165.344","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ir2 Sm Si2","","- Ir2 Si2 Sm -","- Ir2 Si2 Sm -","- Ir4 Si4 Sm2 -","2","0.0625","","Zhong, W.X.; Lloret, B.; Etourneau, J.; Chevalier, B.; Ng, W.L.; Hagenmuller, P.","Crystallochemical aspects and the existance of MTSi3-type ternary silicides of the structure type barium-nickel-tin (Ba Ni Sn3) (M= thorium, yttrium, lanthanide and T= ruthenium, osmium, cobalt, rhodium, iridium)","Revue de Chimie Minerale","1985","22","","711","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539907","8.769","","8.769","","8.769","","90","","90","","90","","674.295","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Co4 Y3 Ge13","","- Co4 Ge13 Y3 -","- Co4 Ge13 Y3 -","- Co8 Ge26 Y6 -","2","0.0416667","","Bruskov, V.A.; Pecharskii, V.K.; Bodak, O.I.","Crystal structure of the compound Y3 Co4 Ge13","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1986","22","","1289","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","168991","2020-10-21","18:00:00",""
"1540118","11.53","","9.18","","4.67","","89.22","","95.2","","95.13","","490.284","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Cs2 S6 -","- Cs2 S6 -","- Cs4 S12 -","2","1","","Hordvik, A.; Sletten, E.","Least squares refinement of the molecular structure of cesium hexasulfide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","3029","3052","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541034","7.467","","13.394","","19.904","","90","","90","","90","","1990.66","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","U (H2 P O2)4","","- H8 O8 P4 U -","- O8 P4 U -","- O64 P32 U8 -","8","1","","Tanner, P.A.; Sze, T.; Mak, T.C.W.; Yip, W.","Synthesis, crystal structure and vibrational spectra of uranium(IV)hypophosphite","Journal of Crystallographic and Spectroscopic Research","1992","22","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541403","8.258","","8.258","","8.258","","90","","90","","90","","563.151","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ni Ga2 O4","","- Ga2 Ni O4 -","- Ga2 Ni O4 -","- Ga16 Ni8 O32 -","8","0.0416667","","Greenwald, S.; Grannis, F.H.; Pickart, S.J.","Cation distribution and g-Factors of certain spinels containing Ni(II), Mn(II), Co(II), Al(III), Ga(III), and Fe(III)","Journal of Chemical Physics","1954","22","","1597","1600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541413","6.1635","0.0005","6.1635","0.0005","6.1635","0.0005","90","","90","","90","","234.144","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","sodium tetrahydridoborate","sodium boranuide","","- B H4 Na -","- B H4 Na -","- B4 H16 Na4 -","4","0.0208333","","Abrahams, S. C.; Kalnajs, J.","The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride","Journal of Chemical Physics","1954","22","3","434","436","10.1063/1.1740085","","","","","","","","","","","","","","","","","","","","","has coordinates","205221","2020-10-21","18:00:00",""
"1541415","6.7272","0.0005","6.7272","0.0005","6.7272","0.0005","90","","90","","90","","304.441","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","potassium tetrahydridoborate","potassium boranuide","","- B H4 K -","- B H4 K -","- B4 H16 K4 -","4","0.0208333","","Abrahams, S. C.; Kalnajs, J.","The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride","Journal of Chemical Physics","1954","22","3","434","436","10.1063/1.1740085","","","","","","","","","","","","","","","","","","","","","has coordinates","205221","2020-10-21","18:00:00",""
"1541417","7.029","0.001","7.029","0.001","7.029","0.001","90","","90","","90","","347.281","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","rubidium tetrahydridoborate","rubidium boranuide","","- B H4 Rb -","- B H4 Rb -","- B4 H16 Rb4 -","4","0.0208333","","Abrahams, S. C.; Kalnajs, J.","The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride","Journal of Chemical Physics","1954","22","3","434","436","10.1063/1.1740085","","","","","","","","","","","","","","","","","","","","","has coordinates","205221","2020-10-21","18:00:00",""
"1541419","7.419","0.001","7.419","0.001","7.419","0.001","90","","90","","90","","408.353","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","cesium tetrahydridoborate","cesium boranuide","","- B Cs H4 -","- B Cs H4 -","- B4 Cs4 H16 -","4","0.0208333","","Abrahams, S. C.; Kalnajs, J.","The lattice constants of the alkali borohydrides and the low-temperature phase of sodium borohydride","Journal of Chemical Physics","1954","22","3","434","436","10.1063/1.1740085","","","","","","","","","","","","","","","","","","","","","has coordinates","205221","2020-10-21","18:00:00",""
"1541518","10.811","","12.27","","10.776","","97.31","","119.36","","95.42","","1215.21","","","","","","","","","","","","","6","P -1","-P 1","2","","(Na (C H3 O H)5)2 (Br8 (Mo (C H3 O))6)","","- C16 H58 Br8 Mo6 Na2 O16 -","- C16 H58 Br8 Mo6 Na2 O16 -","- C16 H58 Br8 Mo6 Na2 O16 -","1","0.5","","Brnicevic, N.; Basic, I.; McCarley, R.E.; Hoxha, B.; Planinic, P.","Molybdenum and tungsten methoxo clusters with differently bonded methoxo groups. Crystal structure of (Na (C H3 O H)5)2 (Mo6 (mue3-Br)8 (O C H3)6)","Polyhedron","2003","22","","1553","1559","","","","","","","","","","","","","","","","","","","","","","has coordinates","172863","2020-10-21","18:00:00",""
"1541523","6.032","","6.032","","6.032","","90","","90","","90","","219.474","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Buehrer, W.; Haelg, W.","Crystal structure of high temperature cuprous iodide and cuprous bromide","Electrochimica Acta","1977","22","","701","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541526","5.684","","5.684","","5.684","","90","","90","","90","","183.638","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Cu Br","","- Br Cu -","- Br Cu -","- Br4 Cu4 -","4","0.0416667","","Buehrer, W.; Haelg, W.","Crystal structure of high temperature cuprous iodide and cuprous bromide","Electrochimica Acta","1977","22","","701","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541528","4.601","","4.601","","4.601","","90","","90","","90","","97.399","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Cu Br","","- Br Cu -","- Br Cu1.002 -","- Br2 Cu2.004 -","2","0.0208333","","Buehrer, W.; Haelg, W.","Crystal structure of high temperature cuprous iodide and cuprous bromide","Electrochimica Acta","1977","22","","701","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542003","15.6","","7.2","","11.7","","90","","90","","90","","1314.14","","","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","K3 V (C N)5 N O (H2 O)2","","- C5 H4 K3 N6 O3 V -","- C5 K3 N6 O3 V -","- C20 K12 N24 O12 V4 -","4","0.5","","Jagner, S.; Vannerberg, N.G.","Note on the crystal structure of potassium","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","3330","3331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542092","9.791","","22.662","","7.653","","90","","90","","90","","1698.08","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cr (O2)2 (N H3)3","","- Cr H9 N3 O4 -","- Cr H9 N3 O4 -","- Cr12 H108 N36 O48 -","12","1.5","","Stomberg, R.","The crystal and molecular structure of diperoxotriamminechromium(IV) (Cr (O2)2 (N H3)3)","Arkiv foer Kemi","1964","22","","49","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1542122","8.9104","","5.4035","","13.1054","","90","","90","","90","","630.99","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sr2 (P2 O7)","","- O7 P2 Sr2 -","- O7 P2 Sr2 -","- O28 P8 Sr8 -","4","0.5","","Hagman, L.O.; Jansson, I.; Magneli, C.","The crystal structure of alpha-Sr2 P2 O7","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","1419","1429","","","","","","","","","","","","","","","","","","","","","","has coordinates","174129","2020-10-21","18:00:00",""
"1542123","13.3","","10.6","","7","","90","","90","","90","","986.86","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Cr (O N O) (N H3)5 ) Cl2","","- Cl2 Cr H15 N6 O2 -","- Cl2 Cr H15 N6 O2 -","- Cl8 Cr4 H60 N24 O8 -","4","0.5","","Hansson, M.; Boertin, O.","On the crystal structure of nitritopentamminechromium(III) chloride","Acta Chemica Scandinavica (1-27,1973-42,1988)","1968","22","","1689","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","186628","2020-10-21","18:00:00",""
"1552848","7.52","","38.53","","8.44","","90","","107.82","","90","","2328.13","","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","227484","2020-10-21","18:00:00",""
"1552849","4.99","","11.92","","22.95","","90","","90","","90","","1365.08","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","227486","2020-10-21","18:00:00",""
"1552850","5.045","0.0004","12.4178","0.0011","23.187","0.002","90","","90","","90","","1452.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.0813","0.0672","","","0.179","0.2043","","","","","","1.028","","","","has coordinates","227488","2020-10-21","18:00:00",""
"1552851","7.627","0.001","38.007","0.004","8.5629","0.0012","90","","108.118","0.015","90","","2359.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.1196","0.0772","","","0.2324","0.2528","","","","","","1.176","","","","has coordinates,has disorder","227489","2020-10-21","18:00:00",""
"1552852","10.0671","0.0003","10.4134","0.0003","16.284","0.0005","90","","97.398","0.001","90","","1692.89","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 F2 N O3 -","- C20 H17 F2 N O3 -","- C80 H68 F8 N4 O12 -","4","2","","Smith, Aaron C.; Kung, Daniel W.; Shavnya, Andre; Brandt, Thomas A.; Dent, Philip D.; Genung, Nathan E.; Cabral, Shawn; Panteleev, Jane; Herr, Michael; Yip, Ka Ning; Aspnes, Gary E.; Conn, Edward L.; Dowling, Matthew S.; Edmonds, David J.; Edmonds, Ian D.; Fernando, Dilinie P.; Herrinton, Paul M.; Keene, Nandell F.; Lavergne, Sophie Y.; Li, Qifang; Polivkova, Jana; Rose, Colin R.; Thuma, Benjamin A.; Vetelino, Michael G.; Wang, Guoqiang; Weaver, John D.; Widlicka, Daniel W.; Price Wiglesworth, Kristin E.; Xiao, Jun; Zahn, Todd; Zhang, Yingxin","Evolution of the Synthesis of AMPK Activators for the Treatment of Diabetic Nephropathy: From Three Preclinical Candidates to the Investigational New Drug PF-06409577","Organic Process Research & Development","2018","22","6","681","","10.1021/acs.oprd.8b00059","","","1.54178","CuKα","","0.0362","0.0347","","","0.0876","0.0894","","","","","","1.052","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1552853","5.9578","0.0003","9.7092","0.0005","10.302","0.0006","106.092","0.002","104.979","0.002","94.998","0.001","544.97","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O3 S -","- C10 H10 N2 O3 S -","- C20 H20 N4 O6 S2 -","2","1","","Luo, Zhongfeng; Liu, Tingting; Guo, Weijie; Wang, Zijia; Huang, Jingjun; Zhu, Yulin; Zeng, Zhuo","N-Acyl-5,5-dimethylhydantoin, a New Mild Acyl-Transfer Reagent in Pd Catalysis: Highly Efficient Synthesis of Functionalized Ketones","Organic Process Research & Development","2018","22","9","1188","","10.1021/acs.oprd.8b00182","","","0.71073","MoKα","","0.0516","0.047","","","0.1289","0.1351","","","","","","1.085","","","","has coordinates","227491","2020-10-21","18:00:00",""
"1566108","8.431","0.003","12.696","0.004","21.701","0.007","85.465","0.007","84.808","0.006","82.95","0.007","2290.4","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 O8 Zn -","- C22 H14 N4 O8 Zn -","- C88 H56 N16 O32 Zn4 -","4","2","","Tella, Adedibu C.; Obaleye, Joshua A.; Olawale, Margaret D.; Vianney Ngororabanga, Jean Marie; Ogunlaja, Adeniyi S.; Bourne, Susan A.","Synthesis, crystal structure, and density functional theory study of a zinc(II) complex containing terpyridine and pyridine-2,6-dicarboxylic acid ligands: Analysis of the interactions with amoxicillin","Comptes Rendus Chimie","2019","22","1","3","12","10.1016/j.crci.2018.11.007","","","0.71073","MoKα","","0.1011","0.0554","","","0.1292","0.1527","","","","","","1.034","","","","has coordinates","272209","2022-01-24","08:35:26",""
"1566559","11.6212","","3.4067","","7.3247","","90","","99.9889","","90","","285.589","","298","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Bi O2 -","- Bi O2 -","- Bi4 O8 -","4","1","","Feng, Xuezhen; Zou, Haiyuan; Zheng, Renji; Wei, Wenfei; Wang, Ranhao; Zou, Wensong; Lim, Gukhyun; Hong, Jihyun; Duan, Lele; Chen, Hong","Bi<sub>2</sub>O<sub>3</sub>/BiO<sub>2</sub> Nanoheterojunction for Highly Efficient Electrocatalytic CO<sub>2</sub> Reduction to Formate.","Nano letters","2022","22","4","1656","1664","10.1021/acs.nanolett.1c04683","","","","","","","","","","","","","","","","","","","","","has coordinates","273318","2022-03-04","01:54:46",""
"2000125","20.0746","0.0002","20.0746","0.0002","8.5839","0.0001","90","","90","","120","","2995.77","","","","","","","","","","","","","7","P 3","P 3","143","","","","- C22 H52 F4 Ga4 N4 O16 P4 -","- C22 H52 F10 Ga11 N4 O47 P10 -","- C66 H156 F30 Ga33 N12 O141 P30 -","3","1","","Reinert, P.; Patarin, J.; Loiseau, T.; Férey, G.; Kessler, H.","Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-3) prepared in the presence of ethylene glycol as main solvent","Microporous and Mesoporous Materials","1998","22","1-3","43","55","10.1016/S1387-1811(98)00085-7","","","","","","","0.0576","","","0.0576","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2300515","4.958","","4.958","","4.958","","90","","90","","90","","121.876","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ir0.94 Mo3.06 -","- Ir0.94 Mo3.06 -","- Ir1.88 Mo6.12 -","2","0.0416667","","Koksbang, R.; Rasmussen, S.E.; Hazell, R.G.","Critical temperatures of superconductivity and neutron diffraction studies at 293 and at 10 K of Mo-Ir single crystal of A15 structure","Journal of Applied Crystallography","1989","22","","23","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2300553","5.827","","5.827","","5.827","","90","","90","","90","","197.85","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Th P","","- P Th -","- P Th -","- P4 Th4 -","4","0.0208333","","Staun Olsen, J.; Gerward, L.; Benedict, U.; Vogt, O.; Luo, H.","Crystal structure and the equation of state of thorium monophosphide for pressures up to 50 GPa","Journal of Applied Crystallography","1989","22","","61","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300582","3.4203","","10.0292","","11.0295","","90","","90","","90","","378.344","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Cd3 (O H)5 (N O3)","","- Cd3 H5 N O8 -","- Cd3 N O8 -","- Cd6 N2 O16 -","2","0.25","","Plevert, J.; Louer, D.; Louer, M.","The Ab Initio Structure Determination of Cd3 (O H)5 N O3 from X-ray Powder Diffraction Data","Journal of Applied Crystallography","1989","22","","470","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300630","3.8108","0.0003","3.8108","","6.141","0.0005","90","","90","","120","","77.233","0.009","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin selenide","","- Se2 Sn -","- Se2 Sn -","- Se2 Sn -","1","0.0833333","","Palosz, B.; Salje, E.","Lattice parameters and spontaneous strain in A X2 polytypes: Cd I2, Pb I2, Sn, S2 and SnSe2","Journal of Applied Crystallography","1989","22","","622","623","10.1107/S0021889889006916","","","","","","","","","","","","","","","","","","","","","has coordinates","287953","2023-12-03","18:10:14",""
"2310011","5.697","","3.971","","5.72","","90","","90","","90","","129.402","","","","","","","","","","","","","3","B m m 2","B 2 -2","38","","","","- K Nb O3 -","- K Nb O3 -","- K2 Nb2 O6 -","2","0.25","","Katz, L.; Megaw, H. D.","The structure of potassium niobate at room temperature: the solution of a pseudosymmetric structure by Fourier methods","Acta Crystallographica","1967","22","5","639","","10.1107/S0365110X6700129X","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310211","13.935","","8.8797","","11.6927","","90","","90","","90","","1446.84","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- Na2 Tl -","- Na2 Tl -","- Na32 Tl16 -","16","2","","Hansen, D.A.; Smith, J.F.","Structure and bonding model for Na2 Tl","Acta Crystallographica (1,1948-23,1967)","1967","22","","836","845","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310216","8.915","","8.915","","6.541","","90","","90","","120","","450.212","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Ho5 Pb3 -","- Ho5 Pb3 -","- Ho10 Pb6 -","2","0.0833333","","Jeitschko, W.; Parthe, E.","D8,8 phases of the rare earth elements with tin and lead","Acta Crystallographica (1,1948-23,1967)","1967","22","","551","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310217","8.847","","8.847","","6.458","","90","","90","","120","","437.745","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Ho5 Sn3 -","- Ho5 Sn3 -","- Ho10 Sn6 -","2","0.0833333","","Jeitschko, W.; Parthe, E.","D8,8 phases of the rare earth elements with tin and lead","Acta Crystallographica (1,1948-23,1967)","1967","22","","551","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310263","14.352","","14.352","","14.218","","90","","90","","120","","2536.26","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Gd13 Zn58 -","- Gd13 Zn58 -","- Gd26 Zn116 -","2","0.166667","","Wang, F.E.","The crystal structure of Gd13 Zn58","Acta Crystallographica (1,1948-23,1967)","1967","22","","579","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310297","14.78","","14.78","","10.43","","90","","90","","90","","2278.42","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Ce5 Mg41 -","- Ce5 Mg41 -","- Ce10 Mg82 -","2","0.125","","Johnson, Q.; Smith, G.S.","The crystal structure of Ce5 Mg42","Acta Crystallographica (1,1948-23,1967)","1967","22","","360","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310346","6.44","","3.899","","7.651","","90","","90","","90","","192.113","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pb F2","","- F2 Pb -","- F2 Pb -","- F8 Pb4 -","4","0.5","","Boldrini, P.; Loopstra, B.O.","Neutron diffraction investigation of orthorhombic lead(II) fluoride","Acta Crystallographica (1,1948-23,1967)","1967","22","","744","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310363","13.461","","7.783","","15.967","","90","","90","","90","","1672.81","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cd (S C (N H2)2) S O4 (H2 O)2","","- C H4 Cd N2 O6 S2 -","- C H4 Cd N2 O6 S2 -","- C8 H32 Cd8 N16 O48 S16 -","8","1","","Cavalca, L.; Domiano, P.; Gasparri, G.F.; Boldrini, P.","The Crystal Structure of Monothiourea-cadmium Sulphate Dihydrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","878","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310370","12.243","","12.243","","12.243","","90","","90","","90","","1835.12","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","(N D4) Al (S O4)2 (D2 O)12","","- Al D28 N O20 S2 -","- Al D28 N O20 S2 -","- Al4 D112 N4 O80 S8 -","4","0.166667","","Cromer, D.T.; Kay, M.I.","Refinement of the alum structures IV. Neutron diffraction study of deuterated ammonium alum, N D4 Al (S O4)2 (D2 O)12, an alpha-Alum","Acta Crystallographica (1,1948-23,1967)","1967","22","","800","805","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310374","7.97","","11.35","","8.36","","90","","105.4","","90","","729.089","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Pa Cl5","","- Cl5 Pa -","- Cl5 Pa -","- Cl20 Pa4 -","4","0.5","","Dodge, R.P.; Elson, R.E.; Smith, G.S.; Johnson, Q.","The crystal structure of protactinium pentachloride","Acta Crystallographica (1,1948-23,1967)","1967","22","","85","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310377","20.646","","5.129","","19.213","","90","","93.62","","90","","2030.47","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Fe3 (O H)2.5 (P O4)2 (H2 O)3","","- Fe3 H8.5 O13.5 P2 -","- Fe3 H8.5 O13.5 P2 -","- Fe24 H68 O108 P16 -","8","1","","Fanfani, L.; Zanazzi, P.F.","The crystal structure of beraunite","Acta Crystallographica (1,1948-23,1967)","1967","22","","173","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310383","12.34","","12.85","","6.29","","90","","90","","90","","997.399","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Zn (H2 O)6) (N O3)2","","- H12 N2 O12 Zn -","- H12 N2 O12 Zn -","- H48 N8 O48 Zn4 -","4","0.5","","Ferrari, A.; Tiripicchio, A.; Braibanti, A.; Lanfredi, A.M.M.","Crystal structures of nitrates of divalent hexaquocations I. Hexaquozinc nitrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","240","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310387","5.305","","27.24","","5.705","","90","","114","","90","","753.144","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ni (N O3)2 (H2 O)4","","- H8 N2 Ni O10 -","- H8 N2 Ni O10 -","- H32 N8 Ni4 O40 -","4","1","","Gallezot, P.; Prettre, M.; Weigel, D.","Structure du nitrate de nickel tetrahydrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","699","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310388","8.38","","3.99","","6.02","","90","","90","","90","","201.286","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- La Si -","- La Si -","- La4 Si4 -","4","0.5","","Gaman, A.; Steinfink, H.","The Crystal Structures of Rare-Earth Monosilicides","Acta Crystallographica (1,1948-23,1967)","1967","22","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310390","6.63","","13.36","","14.43","","90","","90","","90","","1278.16","","","","","","","","","","","","","3","P c m n","-P 2n 2ac","62","","P3 N3 Br6","","- Br6 N3 P3 -","- Br6 N3 P3 -","- Br24 N12 P12 -","4","0.5","","Giglio, E.; Puliti, R.","Crystal structure of trimeric phosphonitrilic bromide","Acta Crystallographica (1,1948-23,1967)","1967","22","","304","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310391","13.39","","12.075","","5.294","","90","","89.17","","90","","855.867","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na3 Fe5 O9","","- Fe5 Na3 O9 -","- Fe5 Na3 O9 -","- Fe20 Na12 O36 -","4","0.5","","Gomers, C.; Rooymans, C.J.M.; de Graaff, R.A.G.","The preparation, crystal structure and magnetic properties of Na3 Fe5 O9","Acta Crystallographica (1,1948-23,1967)","1967","22","","766","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","149001","2020-10-21","18:00:00",""
"2310401","3.5315","","9.8989","","10.4","","90","","90","","90","","363.563","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Y2 Be O4","","- Be O4 Y2 -","- Be O4 Y2 -","- Be4 O16 Y8 -","4","0.5","","Harris, L.A.; Yakel, H.L.jr.","The crystal structure of Y2 Be O4","Acta Crystallographica (1,1948-23,1967)","1967","22","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310407","6.507","","17.796","","8.377","","90","","96.57","","90","","963.674","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 B8 O13","","- B8 Na2 O13 -","- B8 Na2 O13 -","- B32 Na8 O52 -","4","1","","Hyman, A.; Perloff, A.; Block, S.; Mauer, F.","The crystal structure of sodium tetraborate","Acta Crystallographica (1,1948-23,1967)","1967","22","","815","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310412","11.57","","5.96","","6.39","","90","","102.1","","90","","430.847","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 (H2 Si O4) (H2 O)5","","- H12 Na2 O9 Si -","- Na2 O9 Si -","- Na4 O18 Si2 -","2","1","","Jamieson, P.B.; Dent Glasser, L.S.","Sodium silicate hydrates. III. The crystal structure of Na2 O Si O2 (H2 O)6 and of the isostructural Na2 O Ge O2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1967","22","","507","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310413","11.51","","6.15","","6.36","","90","","102.1","","90","","440.2","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 H2 Ge O4 (H2 O)5","","- Ge H12 Na2 O9 -","- Ge Na2 O9 -","- Ge2 Na4 O18 -","2","1","","Jamieson, P.B.; Dent Glasser, L.S.","Sodium silicate hydrates. III. The crystal structure of Na2 O Si O2 (H2 O)6 and of the isostructural Na2 O Ge O2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1967","22","","507","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310425","9.22","","7.54","","10.35","","90","","109.2","","90","","679.497","","","","","","","","","","","","","2","A 1 2/a 1","-A 2ya","15","","","","- H2 O -","- H2 O -","- H56 O28 -","28","3.5","","Kamb, B.; Prakash, A.; Knobler, C.","Structure of Ice V","Acta Crystallographica (1,1948-23,1967)","1967","22","","706","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310442","17.01","","6.96","","14.85","","90","","112","","90","","1630.07","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na4 P2 O7 (H2 O)10","","- H20 Na4 O17 P2 -","- H20 Na4 O17 P2 -","- H80 Na16 O68 P8 -","4","0.5","","McDonald, W.S.; Cruickshank, D.W.J.","A reinvestigation of the structure of Na4 P2 O7 (H2 O)10","Acta Crystallographica (1,1948-23,1967)","1967","22","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","149528","2020-10-21","18:00:00",""
"2310447","9.42","","12.76","","6.22","","90","","107.2","","90","","714.203","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","V (N H4)2 (S O4)2 (H2 O)6","","- H20 N2 O14 S2 V -","- H20 N2 O14 S2 V -","- H40 N4 O28 S4 V2 -","2","0.5","","Montgomery, H.; Chastain, R.V.; Lingafelter, E.C.; Natt, J.J.; Witkowska, A.M.","The Crystal Structure of Tutton's Salts. VI. Vanadium(II), Iron(II) and Cobalt(II) Ammonium Sulfate Hexahydrates","Acta Crystallographica (1,1948-23,1967)","1967","22","","775","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310448","9.32","","12.65","","6.24","","90","","106.8","","90","","704.284","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Fe (N H4)2 (S O4)2 (H2 O)6","","- Fe H20 N2 O14 S2 -","- Fe H20 N2 O14 S2 -","- Fe2 H40 N4 O28 S4 -","2","0.5","","Montgomery, H.; Chastain, R.V.; Natt, J.J.; Witkowska, A.M.; Lingafelter, E.C.","The Crystal Structure of Tutton's Salts. VI. Vanadium(II), Iron(II) and Cobalt(II) Ammonium Sulfate Hexahydrates","Acta Crystallographica (1,1948-23,1967)","1967","22","","775","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310458","6.95","","5.95","","7.7","","90","","120.8","","90","","273.505","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H3 (O H)) Cl","","- Cl H4 N O -","- Cl H4 N O -","- Cl4 H16 N4 O4 -","4","1","","Padmanabhan, V.M.; Smith, H.G.; Peterson, S.W.","Meutron diffraction study of hydroxylammonium chloride, N H3 O H Cl","Acta Crystallographica (1,1948-23,1967)","1967","22","","928","930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310466","4.19","","10.35","","3.78","","90","","90","","90","","163.925","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Er Si -","- Er Si -","- Er4 Si4 -","4","0.25","","Raman, A.; Steinfink, H.","The Crystal Structures of Rare-Earth Monosilicides","Acta Crystallographica (1,1948-23,1967)","1967","22","","688","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310469","5.033","","12","","4.493","","90","","90","","90","","271.359","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Sn Sr -","- Sn Sr -","- Sn4 Sr4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310483","12.42","","12.42","","12.42","","90","","90","","90","","1915.86","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ca4 Na4 (Al12 Si12 O48)","","- Al12 Ca4 Na4 O48 Si12 -","- Al12 Ca4 Na4 O48 Si12 -","- Al12 Ca4 Na4 O48 Si12 -","1","0.0208333","","Seff, K.; Shoemaker, D.P.","The structures of zeolite sorption complexes. I. The structures of dehydrated zeolite 5A and its iodine sorption complex","Acta Crystallographica (1,1948-23,1967)","1967","22","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","149932","2020-10-21","18:00:00",""
"2310484","12.29","","12.29","","12.29","","90","","90","","90","","1856.33","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Na4 Ca4 Si12 Al12 O48 (I2)5.52","","- Al12 Ca4 I11.04 Na4 O48 Si12 -","- Al12 Ca4 I11.04 Na4 O48 Si12 -","- Al12 Ca4 I11.04 Na4 O48 Si12 -","1","0.0208333","","Seff, K.; Shoemaker, D.P.","The structures of zeolite sorption complexes. I. The structures of dehydrated zeolite 5A and its iodine sorption complex","Acta Crystallographica (1,1948-23,1967)","1967","22","","162","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","149933","2020-10-21","18:00:00",""
"2310812","3.82","","3.82","","50.07999","","90","","90","","120","","632.88","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Zn S","","- S Zn -","- S Zn -","- S16 Zn16 -","16","1.33333","","Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T.","Polytype families in zinc sulfide crystals","Acta Crystallographica (1,1948-23,1967)","1967","22","","808","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310813","3.82","","3.82","","150.24","","90","","90","","120","","1898.64","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Zn S","","- S Zn -","- S Zn -","- S48 Zn48 -","48","2.66667","","Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T.","Polytype families in zinc sulfide crystals","Acta Crystallographica (1,1948-23,1967)","1967","22","","808","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310814","3.82","","3.82","","187.8","","90","","90","","120","","2373.3","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Zn S","","- S Zn -","- S Zn -","- S60 Zn60 -","60","3.33333","","Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T.","Polytype families in zinc sulfide crystals","Acta Crystallographica (1,1948-23,1967)","1967","22","","808","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310815","3.82","","3.82","","62.59999","","90","","90","","120","","791.1","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","Zn S","","- S Zn -","- S Zn -","- S20 Zn20 -","20","3.33333","","Mardix, S.; Alexander, E.; Steinberger, I.T.; Brafman, O.","Polytype families in zinc sulfide crystals","Acta Crystallographica (1,1948-23,1967)","1967","22","","808","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310828","7.671","","7.671","","8.271","","90","","90","","90","","486.701","","","","","","","","","","","","","6","P 4/n :2","-P 4a","85","","N H4 Cu Ti F7 (H2 O)4","","- Cu F7 H12 N O4 Ti -","- Cu F7 N O4 Ti -","- Cu2 F14 N2 O8 Ti2 -","2","0.25","","Decian, A.; Fischer, J.; Weiss, R.","Structure Cristalline de l'Heptafluorotitanate de Cuivre et d'Ammonium Tetrahydrate N H4 Cu Ti F7 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1967","22","","340","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310856","5.509","","9.82","","7.413","","90","","104.25","","90","","388.692","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cu Ti F6 (H2 O)4","","- Cu F6 H8 O4 Ti -","- Cu F6 O4 Ti -","- Cu2 F12 O8 Ti2 -","2","0.5","","Fischer, J.; Keib, G.; Weiss, R.","Structure Cristalline du Fluorotitanate de Cuivre Tetrahydrate, Cu Ti F6 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1967","22","","338","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310925","10.28","","6.075","","8.648","","90","","90","","90","","540.076","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4) (Br I Cl)","","- Br Cl H4 I N -","- Br Cl H4 I N -","- Br4 Cl4 H16 I4 N4 -","4","0.5","","Migchelsen, T.; Vos, A.","Reinvestigation of the crystal structure of ammonium bromochloroiodate(I), N H4 Br I Cl, at 140 K","Acta Crystallographica (1,1948-23,1967)","1967","22","","812","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310967","7.99","","10.69","","8.48","","90","","91.5","","90","","724.055","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","(Cl4 U Cl2 U Cl4)","","- Cl10 U2 -","- Cl10 U2 -","- Cl20 U4 -","2","0.5","","Smith, G.S.; Johnson, Q.; Elson, R.E.","The Crystal Structure of Uranium Pentachloride","Acta Crystallographica (1,1948-23,1967)","1967","22","","300","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310978","5.31","","9.19","","40.57999","","90","","100.05","","90","","1949.87","","","","","","","","","","","","","7","C 1","C 1","1","","K.86 Mg2.31 Li.69 Al.16 Si3.84 O10 F2","","- Al0.16 F2 K0.86 Li0.69 Mg2.31 O10 Si3.84 -","- Al0.16 F2 K0.86 Li0.69 Mg2.31 O10 Si3.84 -","- Al1.28 F16 K6.88 Li5.52 Mg18.48 O80 Si30.72 -","8","","","Takeda, H.","Determination of the Layer Stacking Sequence of a New Complex Mica Polytype: A 4-layer Lithium Fluorophlogopite","Acta Crystallographica (1,1948-23,1967)","1967","22","","845","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"2311022","5.36","","11.76","","21.07999","","85.13","","90","","103.22","","1288.61","","","","","","","","","","","","","8","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","H5 Na K2 Fe6 Mn Ti2 Si8 O31","","- Fe6 H5 K2 Mn Na O31 Si8 Ti2 -","- Fe6.01 K2 Mn0.99 Na O31 Si8 Ti2 -","- Fe12.02 K4 Mn1.98 Na2 O62 Si16 Ti4 -","2","","","Woodrow, P.J.","The Crystal Structure of Astrophyllite","Acta Crystallographica (1,1948-23,1967)","1967","22","","673","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311050","5.057","","11.942","","4.299","","90","","90","","90","","259.62","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Ge -","- Ba Ge -","- Ba4 Ge4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311051","5.028","","11.929","","4.131","","90","","90","","90","","247.773","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Si -","- Ba Si -","- Ba4 Si4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311052","5.31","","12.485","","4.65","","90","","90","","90","","308.273","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Sn -","- Ba Sn -","- Ba4 Sn4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311053","4.808","","11.36","","4.169","","90","","90","","90","","227.706","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Sr Ge","","- Ge Sr -","- Ge Sr -","- Ge4 Sr4 -","4","0.25","","Rieger, W.; Parthe, E.","Alkaline earth silicides, germanides and stannides with Cr B structure type","Acta Crystallographica (1,1948-23,1967)","1967","22","","919","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000838","7.203","0.001","7.349","0.0008","11.965","0.002","93.495","0.008","75.196","0.007","97.368","0.008","607.02","0.15","300","2","300","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0711","0.0542","","","0.1498","0.1635","","","","","","1.092","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000839","7.199","0.0009","7.336","0.0008","11.959","0.0018","93.433","0.007","75.131","0.006","97.349","0.007","605.17","0.14","285","2","285","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.069","0.0544","","","0.1524","0.1641","","","","","","1.107","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000840","7.197","0.0011","7.324","0.0009","11.952","0.0019","93.346","0.009","75.079","0.007","97.358","0.008","603.53","0.15","270","2","270","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0708","0.0571","","","0.1579","0.1684","","","","","","1.115","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000841","7.194","0.0016","7.319","0.0013","11.932","0.003","93.239","0.012","75.099","0.011","97.384","0.012","601.9","0.2","260","2","260","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0779","0.0607","","","0.1697","0.1833","","","","","","1.082","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000842","9.753","0.006","10.95","0.004","11.442","0.006","101.81","0.03","99.24","0.03","90.64","0.03","1179.3","1.1","260","2","260","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1384","0.0779","","","0.1961","0.2404","","","","","","0.946","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000843","9.765","0.005","10.969","0.003","11.415","0.006","101.8","0.03","99.37","0.02","90.4","0.03","1179.9","0.9","250","2","250","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1194","0.0699","","","0.1795","0.2092","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000844","9.778","0.004","11.03","0.002","11.319","0.004","101.67","0.018","99.762","0.015","89.71","0.02","1177.7","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0953","0.0623","","","0.1727","0.1921","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000845","9.76","0.003","11.083","0.0018","11.203","0.003","101.661","0.016","100.219","0.013","88.723","0.017","1167.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0713","0.0471","","","0.1234","0.1339","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000846","9.736","0.003","11.087","0.0017","11.127","0.003","101.646","0.015","100.553","0.012","87.977","0.015","1156.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0597","0.0423","","","0.1104","0.1179","","","","","","1.066","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000847","7.205","0.0007","7.35","0.0016","11.982","0.002","93.527","0.009","75.232","0.009","97.288","0.009","608.33","0.18","300","2","300","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0726","0.0541","","","0.1621","0.1797","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000848","7.2","0.0007","7.326","0.0015","11.97","0.002","93.387","0.009","75.134","0.009","97.3","0.01","605.07","0.17","270","2","270","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.066","0.05","","","0.1498","0.1622","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000849","7.198","0.0006","7.312","0.0014","11.962","0.002","93.288","0.008","75.048","0.008","97.309","0.01","603.12","0.16","250","2","250","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0609","0.0478","","","0.1412","0.15","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000850","7.195","0.0006","7.302","0.0013","11.955","0.002","93.214","0.008","75.002","0.008","97.305","0.009","601.59","0.16","240","2","240","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.06","0.0463","","","0.1343","0.1442","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000851","9.618","0.005","10.918","0.006","11.881","0.007","101.87","0.03","98.4","0.03","90.83","0.03","1206.6","1.2","230","2","230","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.2453","0.1554","","","0.4291","0.4968","","","","","","1.563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000852","9.805","0.003","10.998","0.004","11.487","0.004","101.766","0.017","99.688","0.018","89.901","0.018","1194.7","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1231","0.0749","","","0.1928","0.2234","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000853","9.778","0.0012","11.065","0.0016","11.268","0.002","101.666","0.008","100.121","0.008","88.786","0.008","1175.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.095","0.0649","","","0.1765","0.1941","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000854","9.759","0.0011","11.087","0.0015","11.162","0.0017","101.643","0.007","100.52","0.008","87.955","0.007","1163","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0674","0.0462","","","0.1137","0.1232","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000855","7.211","0.0006","7.354","0.0011","12.022","0.0015","93.608","0.006","75.377","0.007","97.105","0.008","611.8","0.13","300","2","300","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0754","0.0667","","","0.1845","0.1951","","","","","","1.195","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000856","7.2","0.0006","7.315","0.001","12.004","0.0016","93.38","0.006","75.248","0.007","97.045","0.007","606.52","0.13","250","2","250","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0719","0.0646","","","0.1719","0.1814","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000857","7.192","0.0006","7.277","0.0007","11.981","0.0014","93.097","0.005","75.109","0.007","97.041","0.006","601.25","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0714","0.0659","","","0.1812","0.1901","","","","","","1.14","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000858","9.552","0.001","10.815","0.0009","11.95","0.0014","101.836","0.006","99.191","0.006","90.42","0.007","1191.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1043","0.0825","","","0.2607","0.2937","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000859","9.517","0.0014","10.806","0.0011","11.928","0.0019","101.663","0.009","99.631","0.007","90.246","0.008","1183.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0871","0.0561","","","0.1827","0.2029","","","","","","1.136","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000860","7.2405","0.0018","7.355","0.0016","12.1","0.003","93.735","0.018","75.445","0.016","96.877","0.014","618.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Me0.22EDO-TTF)2PF6","","","- C16.44 H12.88 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1273","0.0919","","","0.2451","0.2843","","","","","","1.011","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000861","7.237","0.003","7.376","0.0016","12.128","0.005","93.88","0.03","75.44","0.02","96.92","0.02","621.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Me0.37EDO-TTF)2PF6","","","- C16.74 H13.48 F6 O4 P S8 -","- C16.74 F6 O4 P S8 -","- C16.74 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1369","0.0716","","","0.2014","0.2562","","","","","","1.047","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000862","7.271","0.003","7.372","0.003","12.219","0.005","93.8","0.03","75.47","0.03","96.7","0.02","629.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Me0.44EDO-TTF)2PF6","","","- C16.88 H13.76 F6 O4 P S8 -","- C16.88 F6 O4 P S8 -","- C16.88 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1598","0.0824","","","0.239","0.296","","","","","","0.909","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000863","7.286","0.0011","7.355","0.0017","12.258","0.003","93.91","0.012","75.497","0.011","96.689","0.012","631.1","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","(Me0.48EDO-TTF)2PF6","","","- C16.96 H13.92 F6 O4 P S8 -","- C16.96 F6 O4 P S8 -","- C16.96 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1076","0.075","","","0.2042","0.2318","","","","","","1.001","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000864","7.23","0.0009","7.261","0.0011","12.169","0.002","93.31","0.009","75.702","0.01","96.155","0.008","615.16","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Me0.48EDO-TTF)2PF6","","","- C16.96 H13.92 F6 O4 P S8 -","- C16.96 F6 O4 P S8 -","- C16.96 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0728","0.0529","","","0.151","0.1635","","","","","","1.08","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000865","29.658","0.004","12.608","0.0015","6.99","0.0012","90","","90","","90","","2613.8","0.6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.91EDO-TTF)2PF6","","","- C17.82 H15.64 F6 O4 P S8 -","- C17.82 H7.42 F6 O4 P S8 -","- C71.28 H29.68 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.121","0.0734","","","0.2129","0.2552","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000866","29.662","0.003","12.615","0.0013","6.994","0.0005","90","","90","","90","","2617.1","0.4","300","2","300","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H8 F6 O4 P S8 -","- C72 H32 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0878","0.0696","","","0.2008","0.2183","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000867","29.459","0.004","12.607","0.002","6.947","0.0005","90","","90","","90","","2580","0.6","250","2","250","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0962","0.0739","","","0.1822","0.2062","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000868","29.396","0.003","12.564","0.0018","6.906","0.0005","90","","90","","90","","2550.6","0.5","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.068","0.0501","","","0.1437","0.1553","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000869","29.313","0.012","12.572","0.007","6.818","0.0019","90","","90","","90","","2512.6","1.9","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.157","0.064","","","0.1551","0.203","","","","","","0.893","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000870","29.672","0.003","12.609","0.0014","6.992","0.0004","90","","90","","90","","2615.9","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.97EDO-TTF)2PF6","","","- C17.94 H15.88 F6 O4 P S8 -","- C18 H8 F6 O4 P S8 -","- C72 H32 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0951","0.0789","","","0.2347","0.2596","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000871","5.0575","0.0004","10.4562","0.001","17.5105","0.0017","90","","90","","90","","925.99","0.15","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3 Mo3 O12 V -","- Li2.96 Mo3 O12 V1.044 -","- Li11.84 Mo12 O48 V4.176 -","4","0.5","","Mikhailova, D.; Sarapulova, A.; Voss, A.; Thomas, A.; Oswald, S.; Gruner, W.; Trots, D. M.; Bramnik, N. N.; Ehrenberg, H.","Li3V(MoO4)3: A New Material for Both Li Extraction and Insertion","Chemistry of Materials","2010","22","10","3165","","10.1021/cm100213a","","","0.71073","MoKα","","0.0282","0.0248","","","0.0757","0.0775","","","","","","1.133","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000872","20.1503","0.0006","9.3143","0.0003","19.2849","0.0007","90","","90","","90","","3619.5","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H61 Li Mg3 O5 -","- C31 H61 Li Mg3 O5 -","- C124 H244 Li4 Mg12 O20 -","4","1","","Heitz, Stephan; Epping, Jan-Dirk; Aksu, Yilmaz; Driess, Matthias","Molecular Heterobimetallic Approach to Li-Containing MgO Nanoparticles with Variable Li-Concentrations Using Lithium-Methylmagnesium Alkoxide Clusters","Chemistry of Materials","2010","22","16","4563","","10.1021/cm100415m","","","0.71073","MoKα","","0.0951","0.0732","","","0.1424","0.1502","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000873","9.5228","","5.4869","","5.4818","","90","","125.222","","90","","233.99","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce0.4 O3 Sr0.4 Ti -","- Ce0.666667 O4 Sr0.666667 Ti1.33333 -","- Ce2 O12 Sr2 Ti4 -","3","0.375","","Ubic, Rick; Subodh, Ganesanpotti; Gout, Delphine; Sebastian, Mailadil T.; Proffen, Thomas","Correction to Crystal Structure of Sr0.4Ce0.4TiO3Ceramics","Chemistry of Materials","2010","22","6","2174","","10.1021/cm100457f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000874","10.4278","0.0004","10.4278","0.0004","14.2602","0.0012","90","","90","","90","","1550.64","0.16","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","Nd(C6H3(CO2)3)(H2O)","","","- C9 H3 Nd O7 -","- C9 H3 Nd O7 -","- C36 H12 Nd4 O28 -","4","1","","Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong","A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity","Chemistry of Materials","2010","22","11","3316","","10.1021/cm100503q","","","0.71073","MoKα","","0.0314","0.0282","","","0.0564","0.0572","","","","","","0.956","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000875","10.452","0.0002","10.452","0.0002","13.8486","0.0009","90","","90","","90","","1512.88","0.11","453","2","453","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","Nd(C6H3(CO2)3)","","","- C9 H3 Nd O6 -","- C9 H3 Nd O6 -","- C36 H12 Nd4 O24 -","4","0.5","","Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong","A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity","Chemistry of Materials","2010","22","11","3316","","10.1021/cm100503q","","","0.71073","MoKα","","0.075","0.036","","","0.0535","0.0567","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000876","10.241","0.0003","10.241","0.0003","14.4026","0.0005","90","","90","","90","","1510.52","0.08","100","2","100","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","Yb(C6H3(CO2)3)H2O","","","- C9 H3 O7 Yb -","- C9 H3 O7 Yb -","- C36 H12 O28 Yb4 -","4","0.5","","Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong","A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity","Chemistry of Materials","2010","22","11","3316","","10.1021/cm100503q","","","0.907","synchrotron","","0.0296","0.0292","","","0.0793","0.0795","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000877","23.515","0.019","4.611","0.004","21.347","0.018","90","","90.744","0.009","90","","2314","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 O4 S4 -","- C50 H76 O4 S4 -","- C100 H152 O8 S8 -","2","0.5","","McEntee, Greg J.; Skabara, Peter J.; Vilela, Filipe; Tierney, Steven; Samuel, Ifor D. W.; Gambino, Salvatore; Coles, Simon J.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","Synthesis and Electropolymerization of Hexadecyl Functionalized Bithiophene and Thieno[3,2-b]thiophene End-Capped with EDOT and EDTT Units","Chemistry of Materials","2010","22","9","3000","","10.1021/cm100514r","","","0.6941","synchrotron","","0.2312","0.1245","","","0.3058","0.37","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000878","7.1255","0.0001","11.4922","0.0002","16.5104","0.0003","71.958","0.001","83.543","0.001","82.168","0.001","1269.98","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H76 S8 -","- C50 H76 S8 -","- C50 H76 S8 -","1","0.5","","McEntee, Greg J.; Skabara, Peter J.; Vilela, Filipe; Tierney, Steven; Samuel, Ifor D. W.; Gambino, Salvatore; Coles, Simon J.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","Synthesis and Electropolymerization of Hexadecyl Functionalized Bithiophene and Thieno[3,2-b]thiophene End-Capped with EDOT and EDTT Units","Chemistry of Materials","2010","22","9","3000","","10.1021/cm100514r","","","0.71073","MoKα","","0.0542","0.0431","","","0.0868","0.0932","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000879","7.09109","0.00005","7.09109","","11.50958","0.0001","90","","90","","120","","501.206","0.006","300","","300","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- H4 I Li3 N2 -","- H4.0005 I Li3 N2 -","- H16.002 I4 Li12 N8 -","4","0.333333","","Matsuo, Motoaki; Sato, Toyoto; Miura, Yohei; Oguchi, Hiroyuki; Zhou, Yu; Maekawa, Hideki; Takamura, Hitoshi; Orimo, Shin-ichi","Synthesis and Lithium Fast-Ion Conductivity of a New Complex Hydride Li3(NH2)2I with Double-Layered Structure","Chemistry of Materials","2010","22","9","2702","","10.1021/cm1006857","powder diffraction","","0.800562","Synchrotron","","","","","","","","","","2.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000880","18.641","0.0002","19.8492","0.0003","21.2347","0.0004","108.682","0.001","108.736","0.001","95.74","0.001","6866","0.2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C123 H96 B F4 N9 O4 Pt3 S13 -","- C123 H96 B F4 N9 O4 Pt3 S13 -","- C246 H192 B2 F8 N18 O8 Pt6 S26 -","2","1","","Milum, Kristen M.; Kim, Young Nam; Holliday, Bradley J.","Pt-[NCN] Pincer Conducting Metallopolymers That Display Redox-Attenuated Metal−Ligand Interactions","Chemistry of Materials","2010","22","8","2414","","10.1021/cm100762s","","","0.71069","MoKα","","0.1269","0.0613","","","0.1505","0.1717","","","","","","0.955","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000881","15.1009","0.0004","29.7497","0.0007","22.8254","0.0005","90","","106.558","0.001","90","","9829","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 N3 Pt S4 -","- C45 H32 N3 Pt S4 -","- C360 H256 N24 Pt8 S32 -","8","2","","Milum, Kristen M.; Kim, Young Nam; Holliday, Bradley J.","Pt-[NCN] Pincer Conducting Metallopolymers That Display Redox-Attenuated Metal−Ligand Interactions","Chemistry of Materials","2010","22","8","2414","","10.1021/cm100762s","","","0.71073","MoKα","","0.0843","0.044","","","0.1132","0.1229","","","","","","0.984","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000882","17.8638","0.0012","7.548","0.0007","9.7506","0.0007","90","","90","","90","","1314.73","0.18","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Co3 H6 K2 O16 S3 -","- Co3 H6 K2 O16 S3 -","- Co12 H24 K8 O64 S12 -","4","0.5","","Vilminot, Serge; Baker, Peter J.; Blundell, Stephen J.; Sugano, Tadashi; André, Gilles; Kurmoo, Mohamedally","Giant Magnetic Hardness in the Synthetic Mineral Ferrimagnet K2CoII3(OH)2(SO4)3(H2O)2","Chemistry of Materials","2010","22","13","4090","","10.1021/cm1009515","","","0.71073","MoKα","","0.0315","0.0283","","","0.0559","0.059","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000883","6.66027","0.000079","6.66027","0.000079","10.82919","0.00012","90","","90","","90","","480.374","0.01","293","","293","","","","","","","","","7","I 4/m c m","-I 4 2c","140","","Strontium Calcium Aluminum Silicon Oxygen Fluoride","","- Al0.6 Ca1.2 Ce0.0225 F0.5775 O4.4225 Si0.4 Sr1.7775 -","- Al0.6 Ca1.2 Ce0.0225 F0.5775 O4.4225 Si0.4 Sr1.7775 -","- Al2.4 Ca4.8 Ce0.09 F2.31 O17.69 Si1.6 Sr7.11 -","4","0.125","","Setlur, Anant A.; Radkov, Emil V.; Henderson, Claire S.; Her, Jae-Hyuk; Srivastava, Alok M.; Karkada, Nagaveni; Kishore, M. Satya; Kumar, N. Prasanth; Aesram, Danny; Deshpande, Anirudha; Kolodin, Boris; Grigorov, Ljudmil S.; Happek, Uwe","Energy-Efficient, High-Color-Rendering LED Lamps Using Oxyfluoride and Fluoride Phosphors","Chemistry of Materials","2010","22","13","4076","","10.1021/cm100960g","powder diffraction","","0.77442","synchrotron","","","","","","","","","0.04","2.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000884","10.4094","0.0016","5.8636","0.0009","18.465","0.003","90","","99.965","0.003","90","","1110","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 N4 S3 -","- C7 H12 N4 S3 -","- C28 H48 N16 S12 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.0835","0.0751","","","0.1779","0.1826","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000885","13.978","0.002","9.226","0.0015","18.155","0.003","90","","90","","90","","2341.3","0.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H24 Cl4 Co N6 S4 -","- C12 H24 Cl4 Co N6 S4 -","- C48 H96 Cl16 Co4 N24 S16 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.0421","0.0354","","","0.0635","0.0655","","","","","","1.022","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000886","14.872","0.002","13.832","0.002","13.4507","0.0019","90","","90","","90","","2766.9","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H36 Co N9 S6 -","- C18 H36 Co N9 S6 -","- C72 H144 Co4 N36 S24 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.089","0.0432","","","0.068","0.0754","","","","","","0.676","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000887","9.5808","0.0008","42.691","0.004","9.6376","0.0008","90","","97.435","0.002","90","","3908.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Co N9 S6 -","- C30 H60 Co N9 S6 -","- C120 H240 Co4 N36 S24 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.1117","0.0599","","","0.0789","0.0918","","","","","","0.891","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000888","14.435","0.005","18.35","0.006","25.972","0.008","90","","91.433","0.006","90","","6877","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 Co N6 O2 S2 -","- C28 H56 Co N6 O2 S2 -","- C224 H448 Co8 N48 O16 S16 -","8","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.1424","0.1052","","","0.2104","0.2261","","","","","","1.206","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000889","14.0445","0.0008","14.0445","0.0008","23.235","0.003","90","","90","","120","","3969","0.6","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15.43 H25.71 Cl0.57 Co2 N1.71 O10.86 -","- C15.4286 H25.7143 Cl0.571429 Co2 N1.71429 O10.8571 -","- C108 H180 Cl4 Co14 N12 O76 -","7","0.583333","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.068","0.0538","","","0.1479","0.1603","","","","","","1.062","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000890","14.2295","0.0001","14.2295","0.0001","23.5443","0.0003","90","","90","","120","","4128.53","0.07","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","- C120 H156 Cl4 Co14 N12 O52 -","2","0.166667","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.0845","0.0709","","","0.1869","0.2074","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000891","14.1074","0.0008","14.1074","0.0008","23.882","0.003","90","","90","","120","","4116.2","0.6","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C54 H60 Cl2 Co7 N24 O20 -","- C54 H60 Cl2 Co7 N24 O20 -","- C108 H120 Cl4 Co14 N48 O40 -","2","0.166667","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.0911","0.0771","","","0.2361","0.2556","","","","","","1.109","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000892","12.057","0.004","3.7374","0.0013","11.694","0.003","90","","90","","90","","527","0.3","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","CaCr0.84Fe3.16As3","","","- As3 Ca Cr0.84 Fe3.16 -","- As3 Ca Cr0.836 Fe3.164 -","- As12 Ca4 Cr3.344 Fe12.656 -","4","0.5","","Todorov, Iliya; Chung, Duck Young; Claus, Helmut; Gray, Kenneth E.; Li, Qing’an; Schleuter, John; Bakas, Thomas; Douvalis, Alexios P.; Gutmann, Matthias; Kanatzidis, Mercouri G.","Selective Substitution of Cr in CaFe4As3and Its Effect on the Spin Density Wave","Chemistry of Materials","2010","22","17","4996","","10.1021/cm1012679","","neutron","","neutron","","0.0747","0.0747","","","0.1825","0.1825","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000893","12.022","0.004","3.7211","0.0015","11.652","0.003","90","","90","","90","","521.3","0.3","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","CaCr0.84Fe3.16As3","","","- As3 Ca Cr0.84 Fe3.16 -","- As3 Ca Cr0.844 Fe3.156 -","- As12 Ca4 Cr3.376 Fe12.624 -","4","0.5","","Todorov, Iliya; Chung, Duck Young; Claus, Helmut; Gray, Kenneth E.; Li, Qing’an; Schleuter, John; Bakas, Thomas; Douvalis, Alexios P.; Gutmann, Matthias; Kanatzidis, Mercouri G.","Selective Substitution of Cr in CaFe4As3and Its Effect on the Spin Density Wave","Chemistry of Materials","2010","22","17","4996","","10.1021/cm1012679","","neutron","","neutron","","0.0803","0.0803","","","0.1974","0.1974","","","","","","1.076","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000894","10.4063","0.0006","6.2187","0.0003","4.9469","0.0003","90","","90","","90","","320.13","0.03","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium iron phosphate","","- Fe Na O4 P -","- Fe Na1.003 O4 P -","- Fe4 Na4.012 O16 P4 -","4","0.5","","Moreau, P.; Guyomard, D.; Gaubicher, J.; Boucher, F.","Structure and Stability of Sodium Intercalated Phases in Olivine FePO4","Chemistry of Materials","2010","22","14","4126","","10.1021/cm101377h","powder diffraction","","1.5418","CuKα","","0.0163","0.0163","","","0.0183","0.0183","","0.0258","1.18","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000895","10.2886","0.0007","6.0822","0.0004","4.9372","0.0004","90","","90","","90","","308.96","0.04","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium iron phosphate","","- Fe Na0.71 O4 P -","- Fe Na0.71 O4 P -","- Fe4 Na2.84 O16 P4 -","4","0.5","","Moreau, P.; Guyomard, D.; Gaubicher, J.; Boucher, F.","Structure and Stability of Sodium Intercalated Phases in Olivine FePO4","Chemistry of Materials","2010","22","14","4126","","10.1021/cm101377h","powder diffraction","","1.5418","CuKα","","0.0145","0.0145","","","0.0175","0.0175","","0.026","1.37","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000896","11.616","0.003","12.503","0.003","14.891","0.004","90","","90","","90","","2162.7","1","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C40 H22 Mn N10 -","- C40 H22 Mn N10 -","- C80 H44 Mn2 N20 -","2","0.25","","Shimomura, Satoru; Matsuda, Ryotaro; Kitagawa, Susumu","Flexibility of Porous Coordination Polymers Strongly Linked to Selective Sorption Mechanism","Chemistry of Materials","2010","22","14","4129","","10.1021/cm101410h","","","0.7107","MoKα","","","0.0841","","","","0.0945","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000897","7.4043","0.00031","7.21277","0.00026","7.28756","0.00031","90","","118.346","0.0017","90","","342.53","0.02","300","","300","","","","","","","","","3","C 1 c 1","C -2yc","9","beta_MoOPO4","","","- Mo O5 P -","- Mo O5 P -","- Mo4 O20 P4 -","4","1","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000898","16.2213","0.0011","3.89355","0.00027","6.27724","0.00043","90","","90","","90","","396.46","0.05","300","","300","","","","","","","","","3","C 2 2 21","C 2c 2","20","delta-(MoO2)2P2O7","","","- Mo2 O11 P2 -","- Mo2 O11 P2 -","- Mo4 O22 P4 -","2","0.25","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","0.35285","synchrotron","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000899","17.3171","0.0038","3.73005","0.00078","6.4173","0.0012","90","","90","","90","","414.52","0.15","300","","300","","","","","","","","","4","C 2 2 21","C 2c 2","20","Li2Mo2P2O11","","","- Li2 Mo2 O11 P2 -","- Li2 Mo2 O11 P2 -","- Li4 Mo4 O22 P4 -","2","0.25","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","1.5418","CuKα","","6.503","","","","","","","","1.281","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000900","11.105","0.002","9.934","0.002","16.338","0.003","90","","96.17","0.003","90","","1791.9","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Cu N2 O2 -","- C16 H28 Cu N2 O2 -","- C64 H112 Cu4 N8 O8 -","4","0.5","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold","Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD","Chemistry of Materials","2010","22","17","4844","","10.1021/cm101442e","","","0.71073","MoKα","","0.0418","0.0331","","","0.0804","0.0849","","","","","","1.045","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000901","11.924","0.003","5.2521","0.0013","14.989","0.004","90","","90","","90","","938.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Cu N2 O2 -","- C10 H8 Cu N2 O2 -","- C40 H32 Cu4 N8 O8 -","4","0.5","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold","Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD","Chemistry of Materials","2010","22","17","4844","","10.1021/cm101442e","","","0.71073","MoKα","","0.0442","0.0403","","","0.0922","0.0944","","","","","","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000902","9.7348","0.0009","9.0159","0.0009","23.491","0.002","90","","101.282","0.002","90","","2021.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H26 Cu2 N4 -","- C19.5 H26 Cu2 N4 -","- C78 H104 Cu8 N16 -","4","1","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Blackwell, James M.; Clendenning, Scott B.; Britten, James F.","Solution Reactions of a Bis(pyrrolylaldiminate)copper(II) Complex with Peralkyl Zinc, Aluminum, and Boron Reagents: Investigation of the Pathways Responsible for Copper Metal Deposition","Chemistry of Materials","2010","22","17","4854","","10.1021/cm101443x","","","0.71073","MoKα","","0.036","0.0295","","","0.0753","0.0794","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4000903","23.1805","0.0003","9.2975","0.0001","16.7106","0.0002","90","","100.235","0.001","90","","3544.17","0.07","96","2","96","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Al N4 -","- C17 H25 Al N4 -","- C136 H200 Al8 N32 -","8","2","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Blackwell, James M.; Clendenning, Scott B.; Britten, James F.","Solution Reactions of a Bis(pyrrolylaldiminate)copper(II) Complex with Peralkyl Zinc, Aluminum, and Boron Reagents: Investigation of the Pathways Responsible for Copper Metal Deposition","Chemistry of Materials","2010","22","17","4854","","10.1021/cm101443x","","","1.54178","CuKα","","0.0573","0.0505","","","0.1403","0.1464","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000904","12.9816","0.0014","8.3146","0.0009","10.8375","0.0011","90","","108.644","0.002","90","","1108.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 Zn -","- C10 H16 N2 Zn -","- C40 H64 N8 Zn4 -","4","1","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Blackwell, James M.; Clendenning, Scott B.; Britten, James F.","Solution Reactions of a Bis(pyrrolylaldiminate)copper(II) Complex with Peralkyl Zinc, Aluminum, and Boron Reagents: Investigation of the Pathways Responsible for Copper Metal Deposition","Chemistry of Materials","2010","22","17","4854","","10.1021/cm101443x","","","0.71073","MoKα","","0.0539","0.0317","","","0.0747","0.0846","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000905","21.559","0.003","21.559","0.003","16.642","0.005","90","","90","","120","","6699","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85 H36 Cl Co6 N13 O28 -","- C84.96 H36 Cl Co6 N13 O28.02 -","- C254.88 H108 Cl3 Co18 N39 O84.06 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.1297","0.0719","","","0.2257","0.2636","","","","","","1.178","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000906","21.53","0.0016","21.53","","16.5418","0.0013","90","","90","","120","","6640.5","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85 H36 Co6 F N13 O28 -","- C85.02 H36 Co6 F N13 O28.02 -","- C255.06 H108 Co18 F3 N39 O84.06 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.1463","0.084","","","0.2565","0.311","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000907","21.842","0.007","21.842","0.007","14.502","0.009","90","","90","","120","","5992","5","353","2","353","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H36 Cl Co6 N12 O24 -","- C84 H36 Cl Co6 N12 O24 -","- C252 H108 Cl3 Co18 N36 O72 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.2858","0.1217","","","0.241","0.396","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000908","10.68","0.002","11.343","0.003","12.629","0.003","73.756","0.004","77.772","0.003","85.484","0.004","1435.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Co N7 O9 -","- C29 H27 Co N7 O9 -","- C58 H54 Co2 N14 O18 -","2","1","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.1253","0.073","","","0.1786","0.2128","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000909","16.305","0.006","3.5304","0.0011","17.788","0.006","90","","116.87","0.04","90","","913.4","0.6","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C5 H4 Mn N O6.62 V2 -","- C5 H4 Mn N O6.64 V2 -","- C20 H16 Mn4 N4 O26.56 V8 -","4","0.5","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Vidal, Karmele; Lezama, Luis; Rojo, Teófilo; Arriortua, María I.","Short-Range and Long-Range Magnetic Ordering, in Third Generation Brannerite Type Inorganic−Organic Vanadates: [{Mn(Bpy)}(VO3)2]≈(H2O)1.16and [{Mn(Bpy)0.5}(VO3)2]≈(H2O)0.62","Chemistry of Materials","2010","22","19","5543","","10.1021/cm1015433","","","0.71073","MoKα","","0.0543","0.029","","","0.0509","0.0533","","","","","","0.824","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000910","16.706","0.005","3.5265","0.0004","11.558","0.005","90","","100.77","0.05","90","","668.9","0.4","293","2","293","2","","","","","","","synthesised by authors, see text","6","C 1 2/m 1","-C 2y","12","","","","- C10 H8 Mn N2 O7.2 V2 -","- C10 H8 Mn N2 O7.2 V2 -","- C20 H16 Mn2 N4 O14.4 V4 -","2","0.25","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Vidal, Karmele; Lezama, Luis; Rojo, Teófilo; Arriortua, María I.","Short-Range and Long-Range Magnetic Ordering, in Third Generation Brannerite Type Inorganic−Organic Vanadates: [{Mn(Bpy)}(VO3)2]≈(H2O)1.16and [{Mn(Bpy)0.5}(VO3)2]≈(H2O)0.62","Chemistry of Materials","2010","22","19","5543","","10.1021/cm1015433","","","0.71073","MoKα","","0.0921","0.0511","","","0.1175","0.129","","","","","","0.84","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000911","6.986813","0.000009","6.986813","0.000009","12.037947","0.000002","90","","90","","120","","508.91","0.0009","","","300","","","","","","","","","5","P 63 m c","P 6c -2c","186","Cs-Mn-struvite (hexagonal)","struvite","","- Cs2 H12 Mn2 O20 P2 -","- Cs Mn O9.99982 P -","- Cs2 Mn2 O19.9996 P2 -","2","0.166667","","Ferdov, Stanislav; Lin, Zhi","Selective Detection of Cs+in Water Solutions via One-Step Formation of a New Type of Struvite-Like Phosphate","Chemistry of Materials","2010","22","18","5345","","10.1021/cm101657z","powder diffraction","","1.5406","CuKα","","","","","","","","","4.3604","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000912","15.436","0.001","15.436","0.001","28.831","0.002","90","","90","","90","","6869.6","0.8","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H88 Li N8 O8 -","- C80 H88 Li N8 O8 -","- C320 H352 Li4 N32 O32 -","4","0.5","","Pandian, Ramasamy P.; Raju, Nandyala P.; Gallucci, Judith C.; Woodward, Patrick M.; Epstein, Arthur J.; Kuppusamy, Periannan","A New Tetragonal Crystalline Polymorph of Lithium Octa-n-Butoxy-Naphthalocyanine (LiNc-BuO) Radical: Structural, Magnetic and Oxygen-Sensing Properties","Chemistry of Materials","2010","22","23","6254","","10.1021/cm101733h","","","0.7749","synchrotron","","0.1586","0.072","","","0.1896","0.2496","","","","","","0.996","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000913","5.56","0.0011","5.56","0.0011","22.83","0.005","90","","90","","120","","611.2","0.2","300","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- O3 Ru0.821 Sr -","- O3 Ru0.8212 Sr -","- O30 Ru8.212 Sr10 -","10","0.416667","","Yamamoto, Ayako; Hashizume, Daisuke; Katori, Hiroko Aruga; Sasaki, Takahiko; Ohmichi, Eiji; Nishizaki, Terukazu; Kobayashi, Norio; Takagi, Hidenori","Ten Layered Hexagonal Perovskite Sr5Ru5−xO15(x= 0.90), a Weak Ferromagnet with a Giant Coercive FieldHcσim 12 T","Chemistry of Materials","2010","22","20","5712","","10.1021/cm1017954","","","0.71073","MoKα","","0.0551","0.0535","","","0.1139","0.1145","","","","","","1.429","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000914","9.4941","0.0015","11.4556","0.0017","13.758","0.002","89.628","0.003","89.726","0.003","67.548","0.003","1382.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 N6 Ni S4 -","- C20 H40 N6 Ni S4 -","- C40 H80 N12 Ni2 S8 -","2","1","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.0651","0.0477","","","0.0991","0.1037","","","","","","1.112","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000915","10.6895","0.0018","18.763","0.003","25.788","0.004","90","","90","","90","","5172.2","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 N6 Ni O2 S2 -","- C20 H40 N6 Ni O2 S2 -","- C160 H320 N48 Ni8 O16 S16 -","8","1","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.042","0.0295","","","0.0646","0.0679","","","","","","0.966","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000916","13.888","0.003","6.9629","0.0014","18.451","0.003","90","","90","","90","","1784.2","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H24 N6 Ni O2 S2 -","- C12 H24 N6 Ni O2 S2 -","- C48 H96 N24 Ni4 O8 S8 -","4","0.5","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.0904","0.0643","","","0.1193","0.1288","","","","","","1.16","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000917","8.1434","0.0016","17.389","0.004","8.304","0.0017","90","","110.001","0.004","90","","1105","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 N6 Ni S4 -","- C16 H32 N6 Ni S4 -","- C32 H64 N12 Ni2 S8 -","2","0.5","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.106","0.0586","","","0.0755","0.0853","","","","","","0.915","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000918","14.3821","0.0005","4.7383","0.0001","18.2103","0.0008","90","","99.526","0.0012","90","","1223.86","0.07","295","2","418","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DADF","DADF","","- C36 H20 N2 O2 -","- C36 H20 N2 O2 -","- C72 H40 N4 O4 -","2","0.5","","Ahmed, Eilaf; Earmme, Taeshik; Ren, Guoqiang; Jenekhe, Samson A.","Novel n-Type Conjugated Ladder Heteroarenes: Synthesis, Self-Assembly of Nanowires, Electron Transport, and Electroluminescence of Bisindenoanthrazolines","Chemistry of Materials","2010","22","20","5786","","10.1021/cm102147n","","","0.71073","MoKα","","0.0799","0.0558","","","0.1449","0.1601","","","","","","1.079","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000919","7.1904","0.0003","27.9435","0.0005","13.7","0.0015","90","","108.429","0.0014","90","","2611.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DADK","DADK","","- C38 H20 N2 O2 -","- C38 H20 N2 O2 -","- C152 H80 N8 O8 -","4","1","","Ahmed, Eilaf; Earmme, Taeshik; Ren, Guoqiang; Jenekhe, Samson A.","Novel n-Type Conjugated Ladder Heteroarenes: Synthesis, Self-Assembly of Nanowires, Electron Transport, and Electroluminescence of Bisindenoanthrazolines","Chemistry of Materials","2010","22","20","5786","","10.1021/cm102147n","","","0.71073","MoKα","","0.13","0.0618","","","0.1355","0.1667","","","","","","0.999","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000920","5.3675","0.0001","11.1072","0.0003","14.7787","0.0003","90","","90","","90","","881.07","0.03","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Ca2 Co Fe O5 -","- Ca2 Co Fe O5 -","- Ca16 Co8 Fe8 O40 -","8","1","","Ramezanipour, Farshid; Greedan, John E.; Grosvenor, Andrew P.; Britten, James F.; Cranswick, Lachlan M. D.; Garlea, V. Ovidiu","Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca2FeCoO5","Chemistry of Materials","2010","22","21","6008","","10.1021/cm1023025","","","0.71073","MoKα","","0.0668","0.0329","","","0.0767","0.091","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000921","3.8023","0.0006","3.8023","0.0006","24.575","0.004","90","","90","","90","","355.29","0.1","298","2","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu2 Ge3.58 Hf3 Sb1.42 -","- Cu2 Ge3.583 Hf3 Sb1.417 -","- Cu4 Ge7.166 Hf6 Sb2.834 -","2","0.125","","Guch, Mykhailo; Sankar, Cheriyedath Raj; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Antimonide Hf3Cu2Ge3.58Sb1.42","Chemistry of Materials","2010","22","23","6433","","10.1021/cm102632a","","","0.71073","MoKα","","0.0246","0.024","","","0.0563","0.0567","","","","","","1.257","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000922","8.9181","0.0003","8.9181","0.0003","7.9708","0.0006","90","","90","","90","","633.94","0.06","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- H2 O7 Se2 V -","- H O3.5 Se V0.5 -","- H8 O28 Se8 V4 -","8","1","","Kim, Sang-Hwan; Yeon, Jeongho; Sefat, Athena S.; Mandrus, David G.; Halasyamani, P. Shiv","Stereo-Active Lone-Pair Control on the Ferromagnetic Behavior in VO(SeO2OH)2: A New Acentric Ferromagnetic Material","Chemistry of Materials","2010","22","24","6665","","10.1021/cm102659w","","","0.71073","MoKα","","0.0186","0.0125","","","","0.0303","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000923","4.8938","0.0003","5.6273","0.0003","14.6838","0.0009","93.057","0.001","92.422","0.001","98.455","0.001","398.9","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H4 F8 O2 -","- C22 H4 F8 O2 -","- C22 H4 F8 O2 -","1","0.5","","Liang, Zhixiong; Tang, Qin; Liu, Jing; Li, Jinhua; Yan, Feng; Miao, Qian","N-Type Organic Semiconductors Based on π-Deficient Pentacenequinones: Synthesis, Electronic Structures, Molecular Packing, and Thin Film Transistors","Chemistry of Materials","2010","22","23","6438","","10.1021/cm102681p","","","0.71073","MoKα","","0.0545","0.0381","","","0.112","0.1326","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000924","10.5911","0.0007","16.0352","0.0011","3.8021","0.0002","90","","95.607","0.001","90","","642.62","0.07","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H8 N4 O2 -","- C18 H8 N4 O2 -","- C36 H16 N8 O4 -","2","0.25","","Liang, Zhixiong; Tang, Qin; Liu, Jing; Li, Jinhua; Yan, Feng; Miao, Qian","N-Type Organic Semiconductors Based on π-Deficient Pentacenequinones: Synthesis, Electronic Structures, Molecular Packing, and Thin Film Transistors","Chemistry of Materials","2010","22","23","6438","","10.1021/cm102681p","","","0.71073","MoKα","","0.0457","0.0365","","","0.0989","0.1093","","","","","","1.08","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000925","5.7196","0.0002","5.7196","0.0002","35.805","0.0013","90","","90","","120","","1014.39","0.06","","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba F0.174 Fe O2.65 -","- Ba1.0008 F0.174 Fe O2.6556 -","- Ba15.012 F2.61 Fe15 O39.834 -","15","0.416667","","Sturza, Mihai; Daviero-Minaud, Sylvie; Kabbour, Houria; Gardoll, Olivier; Mentré, Olivier","Fluorination of Iron Hexagonal Perovskites Promoting Low Temperature Oxygen Mobility","Chemistry of Materials","2010","22","24","6726","","10.1021/cm102724k","","","0.71073","MoKα","","0.0287","0.0246","","","0.0234","0.0273","","","","1.25","1.25","1.39","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000926","11.2064","0.0007","14.4508","0.0009","14.4693","0.0009","90","","99.516","0.001","90","","2310.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H44 N7 Ta -","- C17 H44 N7 Ta -","- C68 H176 N28 Ta4 -","4","1","","Chen, Tianniu; Xu, Chongying; Baum, Thomas H.; Stauf, Gregory T.; Roeder, Jeffrey F.; DiPasquale, Antonio G.; Rheingold, Arnold L.","New Tantalum Amido Complexes with Chelate Ligands as Metalorganic (MO) Precursors for Chemical Vapor Deposition (CVD) of Tantalum Nitride Thin Films","Chemistry of Materials","2010","22","1","27","","10.1021/cm9009767","","","0.71073","MoKα","","0.0257","0.024","","","0.0623","0.0633","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000927","17.835","0.002","17.835","0.002","14.457","0.002","90","","90","","90","","4598.6","1","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C17 H44 N7 Ta -","- C17 H40 N7 Ta -","- C136 H320 N56 Ta8 -","8","0.5","","Chen, Tianniu; Xu, Chongying; Baum, Thomas H.; Stauf, Gregory T.; Roeder, Jeffrey F.; DiPasquale, Antonio G.; Rheingold, Arnold L.","New Tantalum Amido Complexes with Chelate Ligands as Metalorganic (MO) Precursors for Chemical Vapor Deposition (CVD) of Tantalum Nitride Thin Films","Chemistry of Materials","2010","22","1","27","","10.1021/cm9009767","","","0.71073","MoKα","","0.0552","0.0445","","","0.1109","0.1188","","","","","","1.072","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000928","9.29997","0.00006","9.29997","0.00006","9.29997","0.00006","90","","90","","90","","804.349","0.009","296","2","296","2","","","","","","","","3","I m -3","-I 2 2 3","204","Iodine-filled skutterudite","Iodine rhodium antimonide","","- I0.9 Rh4 Sb12 -","- I0.905 Rh4 Sb12 -","- I1.81 Rh8 Sb24 -","2","0.0416667","","Fukuoka, Hiroshi; Yamanaka, Shoji","High-Pressure Synthesis, Structure, and Electrical Property of Iodine-Filled Skutterudite I0.9Rh4Sb12—First Anion-Filled Skutterudite","Chemistry of Materials","2010","22","1","47","","10.1021/cm901594q","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.3955","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000929","22.014","0.0017","12.2313","0.001","4.6081","0.0004","90","","90","","90","","1240.78","0.18","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Mn4.18 Sb9 Yb9 -","- Mn4.18 Sb9 Yb9 -","- Mn8.36 Sb18 Yb18 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0299","0.0241","","","0.0525","0.0549","","","","","","1.067","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000930","21.668","0.002","12.3168","0.0012","4.5234","0.0004","90","","90","","90","","1207.21","0.19","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Sb9 Yb9 Zn4.18 -","- Sb9 Yb9 Zn4.172 -","- Sb18 Yb18 Zn8.344 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.028","0.0243","","","0.0587","0.0599","","","","","","1.126","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000931","21.874","0.003","12.2929","0.0014","4.5796","0.0005","90","","90","","90","","1231.4","0.3","90","2","120","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Mn2.78 Sb9 Yb9 Zn1.63 -","- Mn2.76 Sb9 Yb9 Zn1.616 -","- Mn5.52 Sb18 Yb18 Zn3.232 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0385","0.0276","","","0.0565","0.0606","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000932","21.7391","0.0019","12.3474","0.0011","4.5384","0.0004","90","","90","","90","","1218.2","0.19","90","2","120","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Mn0.45 Sb9 Yb9 Zn3.9 -","- Mn0.46 Sb9 Yb9 Zn3.88 -","- Mn0.92 Sb18 Yb18 Zn7.76 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0395","0.0311","","","0.074","0.0781","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000933","22.265","0.002","12.4098","0.0013","4.707","0.0005","90","","90","","90","","1300.6","0.2","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Mn4 Yb9 -","- Bi9 Mn4 Yb9 -","- Bi18 Mn8 Yb18 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0278","0.026","","","0.068","0.0687","","","","","","1.098","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000934","22.367","0.005","12.499","0.003","4.706","0.001","90","","90","","90","","1315.6","0.5","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Ca9 Mn4 -","- Bi9 Ca9 Mn4 -","- Bi18 Ca18 Mn8 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0275","0.0231","","","0.0509","0.052","","","","","","1.078","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000935","9.5351","0.0018","9.4676","0.0016","14.329","0.004","90","","107.82","0.02","90","","1231.5","0.5","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H40 Mg4 O4 -","- C16 H40 Mg4 O4 -","- C32 H80 Mg8 O8 -","2","0.5","","Heitz, Stephan; Aksu, Yilmaz; Merschjann, Christoph; Driess, Matthias","Methylmagnesium Alkoxide Clusters with Mg4O4Cubane- and Mg7O8Biscubane-Like Cores: Organometallic Precursors for Low-Temperature Formation of MgO Nanoparticles with Variable Surface Defects","Chemistry of Materials","2010","22","4","1376","","10.1021/cm9021535","","","0.71073","MoKα","","0.2191","0.0847","","","0.1062","0.1337","","","","","","0.944","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000936","10.2934","0.0006","10.8204","0.0004","11.5065","0.0006","79.617","0.004","68.439","0.005","74.077","0.004","1141.64","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H74 Mg7 O8 -","- C30 H74 Mg7 O8 -","- C30 H74 Mg7 O8 -","1","0.5","","Heitz, Stephan; Aksu, Yilmaz; Merschjann, Christoph; Driess, Matthias","Methylmagnesium Alkoxide Clusters with Mg4O4Cubane- and Mg7O8Biscubane-Like Cores: Organometallic Precursors for Low-Temperature Formation of MgO Nanoparticles with Variable Surface Defects","Chemistry of Materials","2010","22","4","1376","","10.1021/cm9021535","","","0.71073","MoKα","","0.0893","0.0539","","","0.1309","0.1425","","","","","","1.045","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000937","9.768","0.002","5.1552","0.001","14.316","0.003","90","","93.8","0.03","90","","719.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag6 Fe2 O16 V4 -","- Ag6 Fe2 O16 V4 -","- Ag12 Fe4 O32 V8 -","2","0.25","","Becht, Gregory A.; Vaughey, John T.; Hwu, Shiou-Jyh","Ag3Fe(VO4)2and AgFeV2O7: Synthesis, Structure, and Electrochemical Characteristics of Two New Silver Iron(III) Vanadates†","Chemistry of Materials","2010","22","3","1149","","10.1021/cm9024342","","","0.71073","MoKα","","0.0416","0.0316","","","0.0784","0.0868","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000938","5.6027","0.0011","7.4851","0.0015","7.6437","0.0015","65.07","0.03","89.48","0.03","78.98","0.03","284.4","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag Fe O7 V2 -","- Ag Fe O7 V2 -","- Ag2 Fe2 O14 V4 -","2","1","","Becht, Gregory A.; Vaughey, John T.; Hwu, Shiou-Jyh","Ag3Fe(VO4)2and AgFeV2O7: Synthesis, Structure, and Electrochemical Characteristics of Two New Silver Iron(III) Vanadates†","Chemistry of Materials","2010","22","3","1149","","10.1021/cm9024342","","","0.71073","MoKα","","0.093","0.0885","","","0.281","0.2836","","","","","","1.139","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000939","5.3707","0.0002","11.7032","0.0005","17.9205","0.0007","88.6792","0.0018","84.198","0.002","82.7165","0.0017","1111.51","0.08","110","","110","","","","","","","","","7","P -1","-P 1","2","","[IM101TFSI]1[LiTFSI]1","","- C9 H9 F12 Li N4 O8 S4 -","- C9 H9 F12 Li N4 O8 S4 -","- C18 H18 F24 Li2 N8 O16 S8 -","2","1","","Zhou, Qian; Fitzgerald, Kendall; Boyle, Paul D.; Henderson, Wesley A.","Phase Behavior and Crystalline Phases of Ionic Liquid-Lithium Salt Mixtures with 1-Alkyl-3-methylimidazolium Salts†","Chemistry of Materials","2010","22","3","1203","","10.1021/cm902691v","","","0.71073","MoKα","","0.0411","0.0297","","","0.0766","0.0829","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000940","6.76552","0.00046","22.7353","0.0032","13.4648","0.0014","90","","90","","90","","2071.1","0.4","298","","298","","","","","","","","synthesis","4","I m m a","-I 2b 2","74","","1,4-bis(4-pyrazolato)-benzene nickel(ii)","","- C12 H8 N4 Ni -","- C12 H8 N4 Ni -","- C48 H32 N16 Ni4 -","4","0.25","","Galli, S.; Masciocchi, N.; Colombo, V.; Maspero, A.; Palmisano, G.; López-Garzón, F. J.; Domingo-García, M.; Fernández-Morales, I.; Barea, E.; Navarro, J. A. R.","Adsorption of Harmful Organic Vapors by Flexible Hydrophobic Bis-pyrazolate Based MOFs","Chemistry of Materials","2010","22","5","1664","","10.1021/cm902899t","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000941","13.26573","0.00067","13.26573","0.00067","7.2474","0.0011","90","","90","","90","","1275.4","0.2","298","","298","","","","","","","","synthesis","4","P 42/m m c","-P 4c 2","131","","1,4-bis(4-pyrazolato)-benzene zinc(ii) bis-benzonitrile solvate","","- C26 H18 N6 Zn -","- C26 H18 N6 Zn -","- C52 H36 N12 Zn2 -","2","0.125","","Galli, S.; Masciocchi, N.; Colombo, V.; Maspero, A.; Palmisano, G.; López-Garzón, F. J.; Domingo-García, M.; Fernández-Morales, I.; Barea, E.; Navarro, J. A. R.","Adsorption of Harmful Organic Vapors by Flexible Hydrophobic Bis-pyrazolate Based MOFs","Chemistry of Materials","2010","22","5","1664","","10.1021/cm902899t","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000942","9.1139","0.0013","5.2146","0.0005","9.2164","0.0014","90","","111.298","0.008","90","","408.1","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H2 I2 Na O9 V -","- H2 I2 Na O9 V -","- H4 I4 Na2 O18 V2 -","2","1","","Yang, Bing-Ping; Hu, Chun-Li; Xu, Xiang; Sun, Chuan-Fu; Zhang, Jian-Han; Mao, Jiang-Gao","NaVO2(IO3)2(H2O): A Unique Layered Material Produces A Very Strong SHG Response","Chemistry of Materials","2010","22","4","1545","","10.1021/cm902902j","","","0.71073","MoKα","","0.0296","0.0266","","","0.0545","0.0555","","","","","","1.013","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000943","14.0954","0.0002","13.6059","0.0002","16.2976","0.0002","90","","90","","90","","3125.56","0.07","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C136 H136 N24 O32 -","8","1","","Schreiter, Katja; Hofmann, Katja; Seifert, Andreas; Oehlke, Alexander; Ladewig, Katharina; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Novel Periphery-Functionalized Solvatochromic Nitrostilbenes As Precursors for Class II Hybrid Materials","Chemistry of Materials","2010","22","9","2720","","10.1021/cm903048u","","","1.54184","CuKα","","0.0426","0.0355","","","0.1025","0.1056","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000944","6.6544","0.0003","14.0082","0.0005","17.2852","0.0007","90","","98.891","0.004","90","","1591.9","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O6 -","- C17 H17 N3 O6 -","- C68 H68 N12 O24 -","4","1","","Schreiter, Katja; Hofmann, Katja; Seifert, Andreas; Oehlke, Alexander; Ladewig, Katharina; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Novel Periphery-Functionalized Solvatochromic Nitrostilbenes As Precursors for Class II Hybrid Materials","Chemistry of Materials","2010","22","9","2720","","10.1021/cm903048u","","","1.54184","CuKα","","0.1008","0.0821","","","0.2173","0.2268","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000945","7.5411","0.0016","6.6118","0.0014","27.999","0.006","90","","97.065","0.003","90","","1385.4","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H20 Ca2 O14 -","- C30 H20 Ca2 O14 -","- C60 H40 Ca4 O28 -","2","1","","Furman, Joshua D.; Warner, Alina Y.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Tunable, Ligand-Based Emission from Inorganic−Organic Frameworks: A New Approach to Phosphors for Solid State Lighting and Other Applications","Chemistry of Materials","2010","22","7","2255","","10.1021/cm9030733","","","0.7749","synchrotron","","0.0856","0.0818","","","0.2182","0.222","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000946","8.578","0.002","11.836","0.003","15.626","0.004","72.437","0.004","78.722","0.005","85.437","0.004","1483","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Strontium Fluorenonate","","","- C30 H26 O17 Sr2 -","- C30 H26 O17 Sr2 -","- C60 H52 O34 Sr4 -","2","1","","Furman, Joshua D.; Warner, Alina Y.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Tunable, Ligand-Based Emission from Inorganic−Organic Frameworks: A New Approach to Phosphors for Solid State Lighting and Other Applications","Chemistry of Materials","2010","22","7","2255","","10.1021/cm9030733","","","0.71073","MoKα","","0.0932","0.0523","","","0.1145","0.1345","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000947","10.26904","0.00033","10.26904","","8.4729","0.0004","90","","90","","120","","773.79","0.04","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ba6 O13.5 Ta3 -","- Ba6 O13.5 Ta3 -","- Ba12 O27 Ta6 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000948","3.30121","0.0001","3.30121","","3.30121","","90","","90","","90","","35.9765","0.0011","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000949","6.18852","0.00023","6.18852","","16.1277","0.0009","90","","90","","120","","534.91","0.04","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ba4 O9 Ta2 -","- Ba4 O9 Ta2 -","- Ba8 O18 Ta4 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000950","3.33611","0.0001","3.33611","","3.33611","","90","","90","","90","","37.1297","0.0011","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000951","6.1106","0.0004","16.1109","0.0008","12.2127","0.001","90","","120.332","0.0029","90","","1037.72","0.12","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba4 O9 Ta2 -","- Ba4 O9 Ta2 -","- Ba16 O36 Ta8 -","4","1","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000952","8.1174","0.0017","9.286","0.0019","10.297","0.002","71.589","0.002","75.392","0.002","71.286","0.002","687.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Ag2 N4 O10 S2 -","- C22 H28 Ag2 N4 O10 S2 -","- C22 H28 Ag2 N4 O10 S2 -","1","0.5","","Fei, Honghan; Paw U, Latisha; Rogow, David L.; Bresler, Marc R.; Abdollahian, Yashar A.; Oliver, Scott R. J.","Synthesis, Characterization, and Catalytic Application of a Cationic Metal−Organic Framework: Ag2(4,4′-bipy)2(O3SCH2CH2SO3)","Chemistry of Materials","2010","22","6","2027","","10.1021/cm9032308","","","0.71073","MoKα","","0.0288","0.0262","","","0.0559","0.0569","","","","","","1.87","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000953","7.441","0.002","4.41","0.0014","8.292","0.003","90","","90","","90","","272.1","0.15","100","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","calcium-magnesium silicide","calcium-magnesium silicide","","- Ca Mg Si -","- Ca Mg Si -","- Ca4 Mg4 Si4 -","4","0.5","","Whalen, Jeffrey B.; Zaikina, Julia V.; Achey, Randall; Stillwell, Ryan; Zhou, Haidong; Wiebe, Christopher R.; Latturner, Susan E.","Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg−Al Flux","Chemistry of Materials","2010","22","5","1846","","10.1021/cm9033275","","","0.71073","MoKα","","0.0153","0.0147","","","0.04","0.0401","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000954","7.4752","0.0002","4.4272","0.0001","8.3149","0.0002","90","","90","","90","","275.175","0.012","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","calcium-magnesium silicide","calcium-magnesium silicide","","- Ca Mg Si -","- Ca Mg Si -","- Ca4 Mg4 Si4 -","4","0.5","","Whalen, Jeffrey B.; Zaikina, Julia V.; Achey, Randall; Stillwell, Ryan; Zhou, Haidong; Wiebe, Christopher R.; Latturner, Susan E.","Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg−Al Flux","Chemistry of Materials","2010","22","5","1846","","10.1021/cm9033275","","","0.71073","MoKα","","0.0272","0.021","","","0.046","0.048","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000955","14.1061","0.0013","15.1571","0.0014","15.5414","0.0015","97.079","0.001","96.718","0.001","90.344","0.001","3274.2","0.5","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C62 H76 N2 P4 Pt2 S7 -","- C62 H76 N2 P4 Pt2 S7 -","- C124 H152 N4 P8 Pt4 S14 -","2","2","","Zhao, Xiaoyong; Piliego, Claudia; Kim, BongSoo; Poulsen, Daniel A.; Ma, Biwu; Unruh, David A.; Fréchet, Jean M. J.","Solution-Processable Crystalline Platinum-Acetylide Oligomers with Broadband Absorption for Photovoltaic Cells","Chemistry of Materials","2010","22","7","2325","","10.1021/cm903329a","","","0.71073","MoKα","","0.0417","0.0323","","","0.0778","0.0828","","","","","","1.073","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000956","9.0264","0.0008","9.906","0.0004","16.8195","0.001","90","","90","","90","","1503.92","0.17","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Schwartz, Erik; Lim, Eunhee; Gowda, Chandrakala M.; Liscio, Andrea; Fenwick, Oliver; Tu, Guoli; Palermo, Vincenzo; de Gelder, Rene; Cornelissen, Jeroen J. L. M.; Van Eck, Ernst R. H.; Kentgens, Arno P. M.; Cacialli, Franco; Nolte, Roeland J. M.; Samorì, Paolo; Huck, Wilhelm T. S.; Rowan, Alan E.","Synthesis, Characterization, and Surface Initiated Polymerization of Carbazole Functionalized Isocyanides","Chemistry of Materials","2010","22","8","2597","","10.1021/cm903664g","","","0.71073","MoKα","","0.0885","0.0586","","0.0885","0.0828","0.0885","","","1.165","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000957","6.4334","0.0014","6.4334","0.0014","35.586","0.008","90","","90","","120","","1275.5","0.5","293","2","293","2","","","","","","","","4","P 32","P 32","145","Sodium uranoborate","","","- B10 Na O24 U2 -","- B10 Na O24 U2 -","- B30 Na3 O72 U6 -","3","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0402","0.0364","","","0.066","0.0669","","","","","","0.948","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000958","11.1473","0.0011","6.4441","0.0006","23.756","0.002","90","","90.87","0.001","90","","1706.3","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Sodium Uranyl borate","","","- B10 Na O24 U2 -","- B10 Na O24 U2 -","- B40 Na4 O96 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0429","0.0348","","","0.0636","0.0663","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000959","6.441","0.0004","6.441","0.0004","41.836","0.002","90","","90","","120","","1503.1","0.15","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Sodium uranoborate","","","- B10 Na O27 U2 -","- B10 Na O27 U2 -","- B30 Na3 O81 U6 -","3","0.5","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0411","0.0408","","","0.1023","0.1024","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000960","6.3905","0.0009","11.139","0.0015","15.988","0.002","90","","92.777","0.002","90","","1136.7","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Unranyl Borate Dihydrate","","","- B6 H Na O15 U -","- B6 H Na O15 U -","- B24 H4 Na4 O60 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0442","0.0416","","","0.1025","0.1041","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000961","11.1689","0.001","6.4541","0.0006","28.216","0.002","90","","99.146","0.001","90","","2008.1","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B11 O24 Tl2 U2 -","- B11 O24 Tl2 U2 -","- B44 O96 Tl8 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0284","0.0269","","","0.0615","0.0621","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000962","6.4506","0.0008","11.21","0.0014","27.531","0.004","90","","94.387","0.001","90","","1985","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","- B44 O100 Tl8 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0338","0.0302","","","0.0548","0.0561","","","","","","0.962","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000963","6.4488","0.0003","7.1595","0.0003","11.0929","0.0005","94.83","","90.01","","97.13","","506.37","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Thallium uranyl borate","","","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","1","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0208","0.0204","","","0.0482","0.0484","","","","","","0.769","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000964","11.1568","0.0015","6.4424","0.0009","25.328","0.004","90","","95.919","0.001","90","","1810.8","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B10 O23 Tl U2 -","- B10 O23 Tl0.99 U2 -","- B40 O92 Tl3.96 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0348","0.0325","","","0.0743","0.0755","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003427","14.79527","0.00013","27.36341","0.00034","8.34464","0.00006","90","","90","","90","","3378.32","0.06","100","2","","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C3 Al4 O16 P4 -","- C3 Al4 O16 P4 -","- C24 Al32 O128 P32 -","8","1","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.826019","synchrotron","","","","","","","","0.17879","","4.59","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003428","14.8022","0.0001","27.33066","0.00021","8.3487","0.00005","90","","90","","90","","3377.5","0.04","100","2","","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C2 Al4 N O16 P4 -","- C2 Al4 N O16 P4 -","- C16 Al32 N8 O128 P32 -","8","1","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.827267","synchrotron","","","","","","","","0.16515","","1.7","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003429","14.79668","0.00013","27.5248","0.00026","8.32555","0.00004","90","","90","","90","","3390.79","0.05","100","2","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- Al O4 P -","- Al O4 P -","- Al32 O128 P32 -","32","4","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.827267","synchrotron","","","","","","","","0.17188","","1.66","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003430","14.7696","0.0006","27.6372","0.0011","8.35796","0.00022","90","","90","","90","","3411.6","0.2","290","2","290","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- Al O4 P -","- Al O4 P -","- Al32 O128 P32 -","32","4","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.1444","","3.19","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4031251","14.25","","17.62","","16.87","","90","","133.2","","90","","3087.77","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Br3 In3 Co4 (C O)15","","- C15 Br3 Co4 In3 O15 -","- C7.5 Br1.5 Co2 In1.5 O7.5 -","- C60 Br12 Co16 In12 O60 -","8","2","","Cradwick, P.D.; Hall, D.","The crystal structure of tribromotriindiumtetracobaltpentadecacarbonyl","Journal of Organometallic Chemistry","1970","22","","203","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031669","5.701","","5.701","","5.701","","90","","90","","90","","185.29","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd S -","- Nd S -","- Nd4 S4 -","4","0.0208333","","Kupriyanov, B.A.; Uspenskaya, S.I.; Pechennikov, A.V.; Chechernikov, V.I.; Eliseev, A.A.","Magnetic properties of neodymium sulphides","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1977","22","","768","770","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4060668","11.8664","0.0004","15.2844","0.0005","14.9184","0.0005","90","","99.22","0.002","90","","2670.8","0.15","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Li N2 P S Si2 -","- C20 H42 Li N2 P S Si2 -","- C80 H168 Li4 N8 P4 S4 Si8 -","4","1","","Stuart Blair; Keith Izod; Ross W. Harrington; William Clegg","Sterically Controlled Mono- or Dimetalation of a Thioether-Functionalized Phosphine and an Unusual Light-Induced Phosphide-Thiolate Rearrangement","Organometallics","2003","22","","302","308","10.1021/om0208265","","","0.71073","MoKα","","0.0441","0.035","","","0.0903","0.0975","","","","","","1.038","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060669","9.6026","0.0005","11.7841","0.0006","16.6685","0.0009","103.822","0.002","92.896","0.002","107.49","0.002","1731.58","0.16","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H55 Li2 N4 P S Si2 -","- C25 H55 Li2 N4 P S Si2 -","- C50 H110 Li4 N8 P2 S2 Si4 -","2","1","","Stuart Blair; Keith Izod; Ross W. Harrington; William Clegg","Sterically Controlled Mono- or Dimetalation of a Thioether-Functionalized Phosphine and an Unusual Light-Induced Phosphide-Thiolate Rearrangement","Organometallics","2003","22","","302","308","10.1021/om0208265","","","0.71073","MoKα","","0.0475","0.0381","","","0.0945","0.0997","","","","","","1.057","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060670","8.5421","0.0006","14.8293","0.0011","22.0627","0.0016","90","","90","","90","","2794.8","0.4","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Li O4 P S Si2 -","- C22 H42 Li O4 P S Si2 -","- C88 H168 Li4 O16 P4 S4 Si8 -","4","1","","Stuart Blair; Keith Izod; Ross W. Harrington; William Clegg","Sterically Controlled Mono- or Dimetalation of a Thioether-Functionalized Phosphine and an Unusual Light-Induced Phosphide-Thiolate Rearrangement","Organometallics","2003","22","","302","308","10.1021/om0208265","","","0.71073","MoKα","","0.0829","0.0453","","","0.099","0.1147","","","","","","1.047","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060671","18.7985","0.001","13.8359","0.001","13.3282","0.001","90","","92.23","0.01","90","","3464","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 B Cl Zr -","- C18 H26 B Cl Zr -","- C144 H208 B8 Cl8 Zr8 -","8","2","","Xuenian Chen; Shengming Liu; Christine. E. Plečnik; Fu-Chen Liu; Gideon Fraenkel; Sheldon G. Shore","Cyclic Organohydroborate Complexes of Metallocenes. VII. Synthesis, Structure, and Fluxional Behavior of Cp2ZrX{(μ-H)2BC8H14} (X =H, D, Cl)","Organometallics","2003","22","","275","283","10.1021/om0206249","","","0.71073","MoKα","","0.0419","0.0279","","","0.0585","0.0632","","","","","","1.042","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060672","11.9608","0.001","10.2533","0.001","13.9041","0.001","90","","102.792","0.01","90","","1662.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 B Zr -","- C18 H27 B Zr -","- C72 H108 B4 Zr4 -","4","1","","Xuenian Chen; Shengming Liu; Christine. E. Plečnik; Fu-Chen Liu; Gideon Fraenkel; Sheldon G. Shore","Cyclic Organohydroborate Complexes of Metallocenes. VII. Synthesis, Structure, and Fluxional Behavior of Cp2ZrX{(μ-H)2BC8H14} (X =H, D, Cl)","Organometallics","2003","22","","275","283","10.1021/om0206249","","","0.71073","MoKα","","0.0309","0.0259","","","0.0631","0.0653","","","","","","1.112","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060673","38.655","0.005","12.6467","0.0015","8.5136","0.001","90","","95.985","0.002","90","","4139.2","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Re(CO)~3~(4,4-dmbpy)OH","Re(CO)~3~(4,4-dimethyl-2,2-bipyridine)OH","","- C15 H23 N2 O9 Re -","- C15 H23 N2 O9 Re -","- C120 H184 N16 O72 Re8 -","8","1","","Dorothy H. Gibson; Xiaolong Yin; Haiyang He; Mark S. Mashuta","Synthesis and Reactions of fac-[Re(dmbpy)(CO)3X] (dmbpy \δb 4,4'-Dimethyl-2,2'-bipyridine; X =COOH, CHO) and Their Derivatives","Organometallics","2003","22","","337","346","10.1021/om020677q","","","0.71073","MoKα","","0.034","0.032","","","0.082","0.083","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4060674","40.977","0.005","13.1061","0.0018","23.985","0.003","90","","123.571","0.002","90","","10732","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[fac-Re(dmbpy)(CO)~3~]3(OCO~2~)ReO~4~","[fac-Re(dmbpy)(CO)~3~]3(OCO~2~)ReO~4~","","- C49.25 H48 Cl1.5 N6 O16.25 Re4 -","- C49.5 H36 Cl1.5 N6 O16.5 Re4 -","- C396 H288 Cl12 N48 O132 Re32 -","8","1","","Dorothy H. Gibson; Xiaolong Yin; Haiyang He; Mark S. Mashuta","Synthesis and Reactions of fac-[Re(dmbpy)(CO)3X] (dmbpy \δb 4,4'-Dimethyl-2,2'-bipyridine; X =COOH, CHO) and Their Derivatives","Organometallics","2003","22","","337","346","10.1021/om020677q","","","0.71073","MoKα","","0.052","0.039","","","0.103","0.111","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4060675","15.275","0.003","17.059","0.003","12.377","0.002","90","","109.805","0.004","90","","3034.2","0.9","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cl2 N4 O3 Re S -","- C29 H25 Cl2 N4 O3 Re S -","- C116 H100 Cl8 N16 O12 Re4 S4 -","4","1","","Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel","Reactivity of the Amido Complex [Re(NHpTol)(CO)3(bipy)] toward Neutral Organic Electrophiles","Organometallics","2003","22","","257","263","10.1021/om020667p","","","0.71073","MoKα","","0.0755","0.0389","","","0.0546","0.0591","","","","","","0.929","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060676","8.7734","0.0017","11.721","0.002","16.512","0.003","101.297","0.004","90.51","0.004","99.202","0.004","1642.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H34 N3 O5 Re -","- C38 H34 N3 O5 Re -","- C76 H68 N6 O10 Re2 -","2","1","","Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel","Reactivity of the Amido Complex [Re(NHpTol)(CO)3(bipy)] toward Neutral Organic Electrophiles","Organometallics","2003","22","","257","263","10.1021/om020667p","","","0.71073","MoKα","","0.0464","0.0324","","","0.0657","0.0875","","","","","","1.004","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060677","8.895","0.002","13.262","0.003","15.644","0.004","65.453","0.004","81.655","0.004","80.031","0.004","1647.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N3 O8 Re -","- C32 H34 N3 O8 Re -","- C64 H68 N6 O16 Re2 -","2","1","","Eva Hevia; Julio Pérez; Víctor Riera; Daniel Miguel","Reactivity of the Amido Complex [Re(NHpTol)(CO)3(bipy)] toward Neutral Organic Electrophiles","Organometallics","2003","22","","257","263","10.1021/om020667p","","","0.71073","MoKα","","0.0341","0.0282","","","0.0637","0.0652","","","","","","1.02","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060678","9.164","0.007","16.819","0.012","9.389","0.007","90","","106.311","0.012","90","","1388.8","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Ag2 I2 N2 O0 -","- C10 Ag2 I2 N2 -","- C40 Ag8 I8 N8 -","4","1","","Qing-Xiang Liu; Feng-Bo Xu; Qing-Shan Li; Xian-Shun Zeng; Xue-Bin Leng; Yuan L. Chou; Zheng-Zhi Zhang","A Luminescent Silver(I) Carbene Stair Polymer","Organometallics","2003","22","","309","314","10.1021/om020572n","","","0.71073","MoKα","","0.0893","0.0603","","","0.1504","0.1817","","","","","","1.022","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060679","9.7099","0.0002","9.9514","0.0002","14.8062","0.0003","90","","105.411","0.0011","90","","1379.24","0.05","473.2","","200","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H22 Ir2 O8 W2 -","- C29 H22 Ir2 O8 W2 -","- C58 H44 Ir4 O16 W4 -","2","1","","Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey","Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups","Organometallics","2003","22","","284","301","10.1021/om020203r","","","0.7107","MoKα","","0.0299","0.0275","","0.0302","","0.0295","","","1.149","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060680","9.6923","0.0002","10.4511","0.0002","18.9394","0.0003","74.615","0.001","83.982","0.001","68.9618","0.0009","1726.32","0.056","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H38 Ir4 Mo4 O16 -","- C70 H38 Ir4 Mo4 O16 -","- C70 H38 Ir4 Mo4 O16 -","1","0.5","","Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey","Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups","Organometallics","2003","22","","284","301","10.1021/om020203r","","","0.7107","MoKα","","0.0702","0.0377","","0.0502","","0.041","","","0.821","","","0.862","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060681","26.2521","0.0006","26.2521","0.0006","33.2008","0.0008","90","","90","","120","","19815.6","0.7","473.2","","473.2","","","","","","","","synthesized by authors","5","P -3","-P 3","147","","","","- C114 H102 Ir6 Mo6 O24 -","- C36 Ir2 Mo2 O8 -","- C216 Ir12 Mo12 O48 -","6","1","","Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey","Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups","Organometallics","2003","22","","284","301","10.1021/om020203r","","","0.7107","MoKα","","0.1039","0.1039","","0.1548","","0.1548","","","3.609","","","3.609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060711","20.3499","0.0009","20.3499","0.0009","34.489","0.003","90","","90","","120","","12368.9","1.2","193","2","193","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C21 H44 N4 Si4 -","- C21 H44 N4 Si4 -","- C378 H792 N72 Si72 -","18","1","","Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg","Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies","Organometallics","2003","22","3","516","522","10.1021/om020708h","","","0.71073","MoKα","","0.032","0.0272","","","0.0642","0.0656","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060712","20.381","0.0006","20.381","0.0006","34.7323","0.0015","90","","90","","120","","12494.4","0.7","193","2","193","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H44 Ge N4 Si3 -","- C21 H44 Ge N4 Si3 -","- C378 H792 Ge18 N72 Si54 -","18","1","","Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg","Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies","Organometallics","2003","22","3","516","522","10.1021/om020708h","","","0.71073","MoKα","","0.0346","0.0257","","","0.0515","0.0532","","","","","","0.921","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060713","10.7581","0.0008","16.2673","0.0012","17.8259","0.0013","73.644","0.006","88.022","0.006","72.245","0.005","2846.3","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H44 N4 Si3 Sn -","- C21 H44 N4 Si3 Sn -","- C84 H176 N16 Si12 Sn4 -","4","2","","Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg","Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies","Organometallics","2003","22","3","516","522","10.1021/om020708h","","","0.71073","MoKα","","0.0252","0.0204","","","0.05","0.0508","","","","","","0.952","","","","has coordinates","181334","2020-10-21","18:00:00",""
"4060714","8.3466","0.0006","11.2962","0.0008","16.3629","0.0011","90","","90","","90","","1542.8","0.2","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Ge N4 -","- C15 H26 Ge N4 -","- C60 H104 Ge4 N16 -","4","1","","Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg","Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies","Organometallics","2003","22","3","516","522","10.1021/om020708h","","","0.71073","MoKα","","0.04","0.0383","","0.0956","0.0945","","","","1.033","1.049","1.049","","","","","has coordinates","181334","2020-10-21","18:00:00",""
"4060715","8.719","0.008","8.774","0.005","12.132","0.008","89.12","0.08","76.5","0.09","65.23","0.09","815.8","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Cl F6 O2 Os -","- C14 H13 Cl F6 O2 Os -","- C28 H26 Cl2 F12 O4 Os2 -","2","1","","Weberndörfer, Birgit; Henig, Gerhard; Hockless, David C. R.; Bennet, Martin A.; Werner, Helmut","Synthesis, Molecular Structures and Reactivity of Neutral and Cationic Areneosmium(II) Complexes with Diarylcarbenes as Ligands","Organometallics","2003","22","4","744","758","10.1021/om0207109","","","","","","","","","","","","","","","","","","","","","has coordinates","133695","2020-10-21","18:00:00",""
"4060716","18.282","0.001","7.71","0.001","15.709","0.001","90","","105.05","0.02","90","","2138.3","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22.5 H23 Cl3 Os -","- C23.5 Cl3 Os -","- C94 Cl12 Os4 -","4","1","","Weberndörfer, Birgit; Henig, Gerhard; Hockless, David C. R.; Bennet, Martin A.; Werner, Helmut","Synthesis, Molecular Structures and Reactivity of Neutral and Cationic Areneosmium(II) Complexes with Diarylcarbenes as Ligands","Organometallics","2003","22","4","744","758","10.1021/om0207109","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4060743","10.74","0.002","16.23","0.003","21.295","0.004","90","","101.92","0.03","90","","3631.9","1.2","150","2","150","2","","","","","","","","6","P 1 n 1","P -2yac","7","siloxane","","","- C65 H75 In Li2 O10 Si4 -","- C65 H75 In Li2 O10 Si4 -","- C130 H150 In2 Li4 O20 Si8 -","2","1","","Mrinialini G. Walawalkar","A Rare Lithium Indium Siloxane: Synthesis and Crystal Structure of [InMe{(OPh~2~Si)~2~O}~2~-μ-{Li(THF)~2~}~2~]","Organometallics","2003","22","","879","881","10.1021/om0209172","","","","","","","","","","","","","","","","","","","","","has coordinates","178496","2020-10-21","18:00:00",""
"4060747","15.92","0.006","11.83","0.001","18.874","0.002","90","","101.139","0.004","90","","3487","1","213","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Cl Fe2 O10 Ru2 -","- C33 H35 Cl Fe2 O10 Ru2 -","- C132 H140 Cl4 Fe8 O40 Ru8 -","4","1","","Masako Terada; Munetaka Akita","Formal Hydrogenation of a Permetalated Ethene, (μ4-C\δb C)Fe2Ru2(η5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride Reduction Leading to C2Hn Cluster Compounds","Organometallics","2003","22","","355","364","10.1021/om020722u","","","0.7107","MoKα","","","0.0486","","","","0.1386","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060748","13.687","0.002","13.689","0.003","30.766","0.003","90","","101.511","0.006","90","","5648","1","213","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H66 Fe2 O8 P2 Ru2 -","- C61 H52 Fe2 O8 P2 Ru2 -","- C244 H208 Fe8 O32 P8 Ru8 -","4","1","","Masako Terada; Munetaka Akita","Formal Hydrogenation of a Permetalated Ethene, (μ4-C\δb C)Fe2Ru2(η5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride Reduction Leading to C2Hn Cluster Compounds","Organometallics","2003","22","","355","364","10.1021/om020722u","","","0.7107","MoKα","","","0.0621","","","","0.1832","","","","","","1.429","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060749","12.623","0.003","20.931","0.004","12.634","0.002","102.96","0.01","93.7","0.01","100.648","0.003","3177","1","213","","","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H69 B F4 Fe2 O7 P2 Ru2 -","- C68 H53 B F4 Fe2 O7 P2 Ru2 -","- C136 H106 B2 F8 Fe4 O14 P4 Ru4 -","2","1","","Masako Terada; Munetaka Akita","Formal Hydrogenation of a Permetalated Ethene, (μ4-C\δb C)Fe2Ru2(η5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride Reduction Leading to C2Hn Cluster Compounds","Organometallics","2003","22","","355","364","10.1021/om020722u","","","0.7107","MoKα","","","0.0856","","","","0.2114","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060750","12.213","0.001","18.566","0.002","9.8307","0.0008","104.782","0.007","112.424","0.003","79.31","0.002","1982.6","0.3","213","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Fe O5 P2 Ru2 -","- C42 H38 Fe O5 P2 Ru2 -","- C84 H76 Fe2 O10 P4 Ru4 -","2","1","","Masako Terada; Munetaka Akita","Formal Hydrogenation of a Permetalated Ethene, (μ4-C\δb C)Fe2Ru2(η5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride Reduction Leading to C2Hn Cluster Compounds","Organometallics","2003","22","","355","364","10.1021/om020722u","","","0.7107","MoKα","","","0.078","","","","0.1932","","","","","","1.7","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060751","11.3574","0.0008","19.002","0.001","11.342","0.0006","104.712","0.002","99.917","0.003","107.112","0.002","2180.5","0.3","213","","","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H47 Fe O5 P2 Ru2 -","- C49 H40 Fe O5 P2 Ru2 -","- C98 H80 Fe2 O10 P4 Ru4 -","2","1","","Masako Terada; Munetaka Akita","Formal Hydrogenation of a Permetalated Ethene, (μ4-C\δb C)Fe2Ru2(η5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride Reduction Leading to C2Hn Cluster Compounds","Organometallics","2003","22","","355","364","10.1021/om020722u","","","0.7107","MoKα","","","0.0515","","","","0.1499","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060752","11.4541","0.0003","19.4961","0.0006","22.7347","0.0006","90","","92.419","0.002","90","","5072.4","0.2","213","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 Cl4 Co Fe O9 P2 Ru2 -","- C48 H41 Cl4 Co Fe O9 P2 Ru2 -","- C192 H164 Cl16 Co4 Fe4 O36 P8 Ru8 -","4","1","","Masako Terada; Munetaka Akita","Formal Hydrogenation of a Permetalated Ethene, (μ4-C\δb C)Fe2Ru2(η5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride Reduction Leading to C2Hn Cluster Compounds","Organometallics","2003","22","","355","364","10.1021/om020722u","","","0.7107","MoKα","","","0.0413","","","","0.127","","","","","","0.789","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061826","10.5768","0.0003","15.9415","0.0007","21.3704","0.0009","80.087","0.005","82.569","0.005","85.286","0.005","3513","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H99 Ge2 Te4 -","- C63 H99 Ge2 Te4 -","- C126 H198 Ge4 Te8 -","2","1","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218190","2020-10-21","18:00:00",""
"4061827","13.1667","0.0006","13.5646","0.0007","18.2962","0.0007","98.402","0.005","96.913","0.005","112.121","0.005","2939.3","0.2","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H92 Ge2 -","- C60 H92 Ge2 -","- C120 H184 Ge4 -","2","1","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218190","2020-10-21","18:00:00",""
"4061828","15.0722","0.0004","15.0795","0.0005","23.4233","0.001","98.857","0.005","99.257","0.004","117.922","0.003","4479.3","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C93.5 H142 Ge4 O -","- C93.5 H142 Ge4 O -","- C187 H284 Ge8 O2 -","2","1","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218190","2020-10-21","18:00:00",""
"4061829","22.4018","0.0005","9.728","0.0003","26.7946","0.0006","90","","96.545","0.003","90","","5801.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 Ge2 Te -","- C60 H92 Ge2 Te -","- C240 H368 Ge8 Te4 -","4","0.5","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates","218190","2020-10-21","18:00:00",""
"4061830","11.8412","0.0002","32.2192","0.0011","21.0546","0.0006","90","","101.127","0.003","90","","7881.6","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H123 Ge3 N O -","- C80 H123 Ge3 N O -","- C320 H492 Ge12 N4 O4 -","4","1","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218190","2020-10-21","18:00:00",""
"4061833","14.023","0.003","12.684","0.003","22.639","0.005","90","","104.63","0.03","90","","3896.2","1.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Cl O5 P Rh -","- C42 H49 Cl O5 P Rh -","- C168 H196 Cl4 O20 P4 Rh4 -","4","1","","Selent, Detlef; Baumann, Wolfgang; Kempe, Rhett; Spannenberg, Anke; Röttger, Dirk; Wiese, Klaus-Diether; Börner, Armin","Reactions of a Hydroxy Phosphonite Ligand in the Coordination Sphere of Rhodium(I)","Organometallics","2003","22","21","4265","4271","10.1021/om0204686","","","","","","","0.0597","","","0.1249","","","","","","","","","","","has coordinates","192083","2020-10-21","18:00:00",""
"4061834","12.562","0.002","17.48","0.003","18.107","0.003","68.86","0.01","82.43","0.01","89.39","0.02","3673.2","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 O5 P Rh -","- C42 H48 O5 P Rh -","- C168 H192 O20 P4 Rh4 -","4","2","","Selent, Detlef; Baumann, Wolfgang; Kempe, Rhett; Spannenberg, Anke; Röttger, Dirk; Wiese, Klaus-Diether; Börner, Armin","Reactions of a Hydroxy Phosphonite Ligand in the Coordination Sphere of Rhodium(I)","Organometallics","2003","22","21","4265","4271","10.1021/om0204686","","","","","","","0.0389","","","0.0621","","","","","","","","","","","has coordinates","192083","2020-10-21","18:00:00",""
"4061835","10.831","0.002","10.831","0.002","31.904","0.006","90","","90","","90","","3742.7","1.2","200","2","200","2","","","","","","","","6","P 41","P 4w","76","","","","- C42 H49 Cl O5 P Rh -","- C42 H49 Cl O5 P Rh -","- C168 H196 Cl4 O20 P4 Rh4 -","4","1","","Selent, Detlef; Baumann, Wolfgang; Kempe, Rhett; Spannenberg, Anke; Röttger, Dirk; Wiese, Klaus-Diether; Börner, Armin","Reactions of a Hydroxy Phosphonite Ligand in the Coordination Sphere of Rhodium(I)","Organometallics","2003","22","21","4265","4271","10.1021/om0204686","","","","","","","0.0286","","","0.0628","","","","","","","","","","","has coordinates","192083","2020-10-21","18:00:00",""
"4061837","28.763","0.004","8.217","0.001","23.765","0.003","90","","119.357","0.006","90","","4895.8","1.1","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H32 Cl3 Ge2 Nb Sn -","- C17 H31 Cl3 Ge2 Nb Sn -","- C136 H248 Cl24 Ge16 Nb8 Sn8 -","8","1","","Nikonov, Georgii I.; Churakov, Andrei V.; Antipin, Mikhail Yu.","Bis(germyl)-Substituted Niobocenes","Organometallics","2003","22","11","2178","2180","10.1021/om0206453","","","","","","","0.0685","","","0.1556","","","","","","","","","","","has coordinates","218193","2020-10-21","18:00:00",""
"4061838","23.355","0.006","6.26","0.002","23.778","0.006","90","","106.18","0.02","90","","3338.6","1.6","148","2","148","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 N6 O2 Sn -","- C30 H52 N6 O2 Sn -","- C120 H208 N24 O8 Sn4 -","4","1","","Zemlyansky, Nikolay N.; Borisova, Irina V.; Kuznetsova, Marianna G.; Khrustalev, Victor N.; Ustynyuk, Yuri A.; Nechaev, Mikhael S.; Lunin, Valery V.; Barrau, Jacques; Rima, Ghassoub","New Stable Germylenes, Stannylenes, and Related Compounds. 1. Stable Germanium(II) and Tin(II) Compounds M(OCH~2~CH~2~NMe~2~)~2~ (M = Ge, Sn) with Intramolecular Coordination Metal‒Nitrogen Bonds. Synthesis and Structure","Organometallics","2003","22","8","1675","1681","10.1021/om020719a","","","","","","","0.0367","","","0.0814","","","","","","","","","","","has coordinates","218196","2020-10-21","18:00:00",""
"4061839","10.1606","0.0012","11.2693","0.0014","20.387","0.002","90","","90","","90","","2334.3","0.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Ge N2 O2 -","- C8 H20 Ge N2 O2 -","- C64 H160 Ge8 N16 O16 -","8","2","","Zemlyansky, Nikolay N.; Borisova, Irina V.; Kuznetsova, Marianna G.; Khrustalev, Victor N.; Ustynyuk, Yuri A.; Nechaev, Mikhael S.; Lunin, Valery V.; Barrau, Jacques; Rima, Ghassoub","New Stable Germylenes, Stannylenes, and Related Compounds. 1. Stable Germanium(II) and Tin(II) Compounds M(OCH~2~CH~2~NMe~2~)~2~ (M = Ge, Sn) with Intramolecular Coordination Metal‒Nitrogen Bonds. Synthesis and Structure","Organometallics","2003","22","8","1675","1681","10.1021/om020719a","","","","","","","","","","","","","","","","","","","","","has coordinates","218196","2020-10-21","18:00:00",""
"4061840","11.7705","0.0018","10.1142","0.0018","10.061","0.002","90","","90","","90","","1197.8","0.4","110","2","110","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C8 H20 N2 O2 Sn -","- C8 H20 N2 O2 Sn -","- C32 H80 N8 O8 Sn4 -","4","0.5","","Zemlyansky, Nikolay N.; Borisova, Irina V.; Kuznetsova, Marianna G.; Khrustalev, Victor N.; Ustynyuk, Yuri A.; Nechaev, Mikhael S.; Lunin, Valery V.; Barrau, Jacques; Rima, Ghassoub","New Stable Germylenes, Stannylenes, and Related Compounds. 1. Stable Germanium(II) and Tin(II) Compounds M(OCH~2~CH~2~NMe~2~)~2~ (M = Ge, Sn) with Intramolecular Coordination Metal–Nitrogen Bonds. Synthesis and Structure","Organometallics","2003","22","8","1675","1681","10.1021/om020719a","","","","","","","","","","","","","","","","","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4061903","12.6077","0.0007","19.6436","0.001","11.212","0.0007","90","","105.554","0.005","90","","2675.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 B N6 O2 Rh -","- C27 H26 B N6 O2 Rh -","- C108 H104 B4 N24 O8 Rh4 -","4","1","","Ruman, Tomasz; Ciunik, Zbigniew; Trzeciak, Anna M.; Wołowiec, Stanisław; Ziółkowski, Józef J.","Complexes of Heteroscorpionate Trispyrazolylborate Ligands. Part X. Structures and Fluxional Behavior of Rhodium(I) Complexes with Heteroscorpionate Trispyrazolylborate Ligands, Tp”Rh(LL); (LL) = (CO)2 or (COD)","Organometallics","2003","22","5","1072","1080","10.1021/om020873x","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061909","14.9919","0.0009","15.4408","0.0009","9.2238","0.0006","90","","90","","90","","2135.2","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H18 Cl4 Ge N2 S -","- C18 H18 Cl4 Ge N2 S -","- C72 H72 Cl16 Ge4 N8 S4 -","4","0.5","","Saur, Isabelle; Rima, Ghassoub; Gornitzka, Heinz; Miqueu, Karinne; Barrau, Jacques","Heteronuclear Multiple Bonding between Heavier Group 14 and 16 Elements. A New Class of Germylated Compounds, the Germanethiocarbamyl and Germaneselenocarbamyl Chlorides L^2^(Cl)GeY (Y = S, Se)","Organometallics","2003","22","5","1106","1109","10.1021/om0208974","","","","","","","","","","","","","","","","","","","","","has coordinates","218195","2020-10-21","18:00:00",""
"4061910","15.1574","0.0013","15.554","0.0013","9.1975","0.0008","90","","90","","90","","2168.4","0.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H18 Cl4 Ge N2 Se -","- C18 H18 Cl4 Ge N2 Se -","- C72 H72 Cl16 Ge4 N8 Se4 -","4","0.5","","Saur, Isabelle; Rima, Ghassoub; Gornitzka, Heinz; Miqueu, Karinne; Barrau, Jacques","Heteronuclear Multiple Bonding between Heavier Group 14 and 16 Elements. A New Class of Germylated Compounds, the Germanethiocarbamyl and Germaneselenocarbamyl Chlorides L^2^(Cl)GeY (Y = S, Se)","Organometallics","2003","22","5","1106","1109","10.1021/om0208974","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218195","2020-10-21","18:00:00",""
"4061917","7.723","0.002","14.189","0.003","14.656","0.006","90","","101.2","0.03","90","","1575.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 Mo N3 O2 P2 -","- C10 H19 Mo N3 O2 P2 -","- C40 H76 Mo4 N12 O8 P8 -","4","1","","Pérez, Julio; Riera, Víctor; Rodríguez, Amor; López, Ramón; Sordo, Tomás L.; García-Granda, Santiago; García-Rodríguez, Esther; Galindo, Agustín","Structural divergence in the products of the reaction of [MoCl(allyl)(CO)2(dmpm)] with nucleophiles.","Organometallics","2003","22","7","1540","1545","10.1021/om020919m","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061920","11.316","0.0008","13.8693","0.001","19.933","0.002","90","","90","","90","","3128.4","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Fe N O5 P W -","- C30 H22 Fe N O5 P W -","- C120 H88 Fe4 N4 O20 P4 W4 -","4","1","","Thanh Thien Co; Seung Whan Paek; Sang Chul Shim; Chan Sik Cho; Tae-Jeong Kim; Dong Woong Choi; Sang Ook Kang; Jong Hwa Jeong","1,2-Ferrocenediylazaphosphinines: An Unusual Coordination Behavior and Application to Allylic Alkylation","Organometallics","2003","22","","1475","","10.1021/om020929n","","","","","","","0.0594","","","0.1675","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061921","14.4365","0.0012","11.2483","0.0006","16.9363","0.0011","90","","90","","90","","2750.2","0.3","293","2","293","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C29 H27 B F4 Fe N O P Pd -","- C29 H27 B F4 Fe N O P Pd -","- C116 H108 B4 F16 Fe4 N4 O4 P4 Pd4 -","4","1","","Thanh Thien Co; Seung Whan Paek; Sang Chul Shim; Chan Sik Cho; Tae-Jeong Kim; Dong Woong Choi; Sang Ook Kang; Jong Hwa Jeong","1,2-Ferrocenediylazaphosphinines: An Unusual Coordination Behavior and Application to Allylic Alkylation","Organometallics","2003","22","","1475","","10.1021/om020929n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061922","19.6999","0.0017","9.6164","0.0009","11.5827","0.001","90","","90","","90","","2194.3","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H17 Cr2 O6 P S -","- C22 H17 Cr2 O6 P S -","- C88 H68 Cr8 O24 P4 S4 -","4","1","","Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Goh, Lai Yoong","Complexes from Ring Opening of Lawesson's Reagent and Phosphorus-Phosphorus Coupling","Organometallics","2003","22","8","1645","1656","10.1021/om020933z","","","","","","","","","","","","","","","","","","","","","has coordinates","218752","2020-10-21","18:00:00",""
"4061931","18.667","0.004","19.062","0.005","18.852","0.004","90","","99.55","0.02","90","","6615","3","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(Cp*)Ru(H)(P(Me)(iPr)2)2(-CC-COOMe)][B(Ph(CF3)2)4]","","","- C60 H65 B F24 O2 P2 Ru -","- C60 H65 B F24.133 O2 P2 Ru -","- C240 H260 B4 F96.532 O8 P8 Ru4 -","4","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Mereiter, Kurt","Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes","Organometallics","2003","22","10","2001","2013","10.1021/om020940n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178516","2020-10-21","18:00:00",""
"4061932","12.986","0.003","14.483","0.003","22.235","0.005","71.25","0.01","79.88","0.01","89.36","0.01","3893.7","1.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","[(Cp*)Ru(H)(P(Me)(iPr)2)2(=C=C-C(OH)Ph2)][B(Ph(CF3)2)4].EtOEt","","","- C75 H83 B F24 O2 P2 Ru -","- C75 H83 B F24 O2 P2 Ru -","- C150 H166 B2 F48 O4 P4 Ru2 -","2","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Mereiter, Kurt","Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes","Organometallics","2003","22","10","2001","2013","10.1021/om020940n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133735","2020-10-21","18:00:00",""
"4061933","14.695","0.003","14.764","0.003","17.085","0.003","103.21","0.01","107.61","0.01","93","0.01","3409.9","1.2","297","2","297","2","","","","","","","","7","P -1","-P 1","2","[(Cp*)Ru(P(Me)(iPr)2)2(=C=CH-SiMe3)][B(Ph(CF3)2)4]","","","- C61 H71 B F24 P2 Ru Si -","- C61 H71 B F24 P2 Ru Si -","- C122 H142 B2 F48 P4 Ru2 Si2 -","2","1","","Aneetha, Halikhedkar; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Mereiter, Kurt","Structure and Dynamics of Half-Sandwich Ruthenium(IV) Alkynyl Hydrido Complexes","Organometallics","2003","22","10","2001","2013","10.1021/om020940n","","","","","","","","","","","","","","","","","","","","","has coordinates","133735","2020-10-21","18:00:00",""
"4061936","10.141","0.003","16.929","0.009","22.632","0.01","90","","90","","90","","3885.4","2.9","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H58 Cl N4 O3 Yb -","- C38 H58 Cl N4 O3 Yb -","- C152 H232 Cl4 N16 O12 Yb4 -","4","1","","Roesky, Peter W.; Bürgstein, Markus R.","Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides","Organometallics","2003","22","7","1372","1375","10.1021/om0209428","","","","","","","0.0563","","","0.1018","","","","","","","","","","","has coordinates","133630","2020-10-21","18:00:00",""
"4061937","10.09","0.002","16.9","0.003","22.53","0.005","90","","90","","90","","3841.8","1.3","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H58 Cl Lu N4 O3 -","- C38 H58 Cl Lu N4 O3 -","- C152 H232 Cl4 Lu4 N16 O12 -","4","1","","Roesky, Peter W.; Bürgstein, Markus R.","Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides","Organometallics","2003","22","7","1372","1375","10.1021/om0209428","","","","","","","0.0349","","","0.0925","","","","","","","","","","","has coordinates,has disorder","133630","2020-10-21","18:00:00",""
"4061974","10.7406","0.0016","14.063","0.002","15.132","0.003","73.759","0.019","85.968","0.019","73.722","0.018","2106.3","0.6","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H76 N2 P2 Ru -","- C44 H76 N2 P2 Ru -","- C88 H152 N4 P4 Ru2 -","2","1","","Borowski, Andrzej F.; Sabo-Etienne, Sylviane; Donnadieu, Bruno; Chaudret, Bruno","Reactivity of the Bis(dihydrogen) Complex [RuH~2~(η^2^-H~2~)~2~(PCy~3~)~2~] towards N-Heteroaromatic Compounds. Regioselective Hydrogenation of Acridine to 1,2,3,4,5,6,7,8-Octahydroacridine","Organometallics","2003","22","8","1630","1637","10.1021/om020995p","","","","","","","","","","","","","","","","","","","","","has coordinates","218963","2020-10-21","18:00:00",""
"4061975","9.252","0.002","6.487","0.001","9.726","0.002","90","","116.71","0.03","90","","521.44","0.18","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6.5 H8.5 N0.5 -","- C6.5 H8.5 N0.5 -","- C26 H34 N2 -","4","1","","Borowski, Andrzej F.; Sabo-Etienne, Sylviane; Donnadieu, Bruno; Chaudret, Bruno","Reactivity of the Bis(dihydrogen) Complex [RuH~2~(η^2^-H~2~)~2~(PCy~3~)~2~] towards N-Heteroaromatic Compounds. Regioselective Hydrogenation of Acridine to 1,2,3,4,5,6,7,8-Octahydroacridine","Organometallics","2003","22","8","1630","1637","10.1021/om020995p","","","","","","","","","","","","","","","","","","","","","has coordinates","218963","2020-10-21","18:00:00",""
"4061993","17.13","0.001","13.084","0.001","12.611","0.001","90","","105.464","0.001","90","","2724.2","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Li O2 P -","- C32 H36 Li O2 P -","- C128 H144 Li4 O8 P4 -","4","1","","Moores, Audrey; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","First X-Ray Crystal Study and DFT Calculations of Anionic λ^4-Phosphinines","Organometallics","2003","22","","1960","","10.1021/om030023x","","","","","","","","","","","","","","","","","","","","","has coordinates","178516","2020-10-21","18:00:00",""
"4061994","13.4078","0.0003","13.1088","0.0003","24.7527","0.0006","90","","98.698","0.001","90","","4300.5","0.17","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Li N2 O7 P -","- C46 H64 Li N2 O7 P -","- C184 H256 Li4 N8 O28 P4 -","4","1","","Moores, Audrey; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","First X-Ray Crystal Study and DFT Calculations of Anionic λ^4-Phosphinines","Organometallics","2003","22","","1960","","10.1021/om030023x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178516","2020-10-21","18:00:00",""
"4061995","10.842","0.005","18.047","0.005","21.942","0.005","90","0.005","90","0.005","90","0.005","4293","3","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 Li O4 P Si2 -","- C40 H64 Li O4 P Si2 -","- C160 H256 Li4 O16 P4 Si8 -","4","1","","Moores, Audrey; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","First X-Ray Crystal Study and DFT Calculations of Anionic λ^4-Phosphinines","Organometallics","2003","22","","1960","","10.1021/om030023x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061996","13.0957","0.0002","13.9957","0.0003","14.0048","0.0003","80.129","0.001","67.195","0.001","86.609","0.001","2331.09","0.08","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 Li N2 O6 P Si2 -","- C45 H74 Li N2 O6 P Si2 -","- C90 H148 Li2 N4 O12 P2 Si4 -","2","1","","Moores, Audrey; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","First X-Ray Crystal Study and DFT Calculations of Anionic λ^4-Phosphinines","Organometallics","2003","22","","1960","","10.1021/om030023x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062023","29.03","0.006","9.726","0.006","19.438","0.006","90","","116.96","0.02","90","","4891","3","200.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H39 N3 Ru -","- C23 H39 N3 Ru -","- C184 H312 N24 Ru8 -","8","1","","Masafumi Hirano; Rie Asakawa; Chifumi Nagata; Takashi Miyasaka; Nobuyuki Komine; Sanshiro Komiya","Ligand Displacement Reaction of Ru(η^4^-1,5-COD)(η^6^-1,3,5-COT) with Lewis Bases","Organometallics","2003","22","","2378","","10.1021/om030064t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062030","9.9027","0.0008","12.7901","0.0008","23.028","0.002","90","","90.578","0.011","90","","2916.4","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Mg -","- C20 H30 Mg -","- C120 H180 Mg6 -","6","1.5","","Vollet, Jean; Baum, Elke; Schnöckel, Hansgeorg","Bis(pentamethylcyclopentadienyl)magnesium: Unexpected Determination of the Until Now Unknown Molecular Structure of the Crystalline Compound","Organometallics","2003","22","12","2525","2527","10.1021/om0301031","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218975","2020-10-21","18:00:00",""
"4062055","10.44","0.003","10.653","0.003","15.247","0.005","95.336","0.006","104.181","0.006","104.852","0.006","1567","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl Ir O2 P2 -","- C38 H30 Cl Ir O2 P2 -","- C76 H60 Cl2 Ir2 O4 P4 -","2","1","","Garralda, María A.; Hernández, Ricardo; Ibarlucea, Lourdes; Pinilla, Elena; Torres, M. Rosario","Synthesis and Characterization of Hydridoirida-β-diketones Formed by the Reaction of [{Ir(Cod)Cl}2] (Cod = 1,5-cyclooctadiene) with o-(Diphenylphosphino)benzaldehyde","Organometallics","2003","22","17","3600","3603","10.1021/om0301278","","","","","","","","","","","","","","","","","","","","","has coordinates","218964","2020-10-21","18:00:00",""
"4062056","11.5703","0.0007","11.817","0.0007","14.5214","0.0009","84.886","0.001","78.361","0.001","70.663","0.001","1834.39","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Cl3 Ir O2 P2 Sn -","- C38 H30 Cl3 Ir O2 P2 Sn -","- C76 H60 Cl6 Ir2 O4 P4 Sn2 -","2","1","","Garralda, María A.; Hernández, Ricardo; Ibarlucea, Lourdes; Pinilla, Elena; Torres, M. Rosario","Synthesis and Characterization of Hydridoirida-β-diketones Formed by the Reaction of [{Ir(Cod)Cl}2] (Cod = 1,5-cyclooctadiene) with o-(Diphenylphosphino)benzaldehyde","Organometallics","2003","22","17","3600","3603","10.1021/om0301278","","","","","","","","","","","","","","","","","","","","","has coordinates","218964","2020-10-21","18:00:00",""
"4062057","9.5945","0.0006","23.0849","0.0014","18.915","0.0012","90","","96.13","0.001","90","","4165.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl Ir O9 P2 -","- C38 H30 Cl Ir O9 P2 -","- C152 H120 Cl4 Ir4 O36 P8 -","4","1","","Garralda, María A.; Hernández, Ricardo; Ibarlucea, Lourdes; Pinilla, Elena; Torres, M. Rosario","Synthesis and Characterization of Hydridoirida-β-diketones Formed by the Reaction of [{Ir(Cod)Cl}2] (Cod = 1,5-cyclooctadiene) with o-(Diphenylphosphino)benzaldehyde","Organometallics","2003","22","17","3600","3603","10.1021/om0301278","","","","","","","","","","","","","","","","","","","","","has coordinates","218964","2020-10-21","18:00:00",""
"4062058","11.2711","0.0008","13.0553","0.0009","14.2463","0.001","81.179","0.001","89.476","0.001","74.322","0.001","1993.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H37 Cl Ir N O7 P2 -","- C43 H37 Cl Ir N O7 P2 -","- C86 H74 Cl2 Ir2 N2 O14 P4 -","2","1","","Garralda, María A.; Hernández, Ricardo; Ibarlucea, Lourdes; Pinilla, Elena; Torres, M. Rosario","Synthesis and Characterization of Hydridoirida-β-diketones Formed by the Reaction of [{Ir(Cod)Cl}2] (Cod = 1,5-cyclooctadiene) with o-(Diphenylphosphino)benzaldehyde","Organometallics","2003","22","17","3600","3603","10.1021/om0301278","","","","","","","","","","","","","","","","","","","","","has coordinates","218964","2020-10-21","18:00:00",""
"4062059","14.5904","0.0009","17.4378","0.0011","20.5125","0.0013","90","","102.911","0.001","90","","5086.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H47 Cl3 Ir O6 P3 -","- C57 H47 Cl3 Ir O6 P3 -","- C228 H188 Cl12 Ir4 O24 P12 -","4","1","","Garralda, María A.; Hernández, Ricardo; Ibarlucea, Lourdes; Pinilla, Elena; Torres, M. Rosario","Synthesis and Characterization of Hydridoirida-β-diketones Formed by the Reaction of [{Ir(Cod)Cl}2] (Cod = 1,5-cyclooctadiene) with o-(Diphenylphosphino)benzaldehyde","Organometallics","2003","22","17","3600","3603","10.1021/om0301278","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218964","2020-10-21","18:00:00",""
"4062065","9.873","0.002","12.97","0.003","19.496","0.004","76.66","0.03","77.94","0.03","88.78","0.03","2374.6","0.8","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H72 K La O1.5 Si6 -","- C33.998 H68 K La O1.5 Si6 -","- C67.996 H136 K2 La2 O3 Si12 -","2","1","","Woodman, Timothy J.; Schormann, Mark; Bochmann, Manfred","Synthesis, Characterisation and Reactivity of {Ansa-bis(allyl)}lanthanide Complexes, a new Class of Single-Component Methylmethacrylate Polymerization Catalysts","Organometallics","2003","22","14","2938","2943","10.1021/om0301334","","","","","","","0.0272","","","0.0751","","","","","","","","","","","has coordinates","133702","2020-10-21","18:00:00",""
"4062066","12.511","0.003","12.243","0.002","19.609","0.004","90","","95.79","0.03","90","","2988.2","1","140","1","140","1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C44 H100 Li O4 Si6 Sm -","- C44 H100 Li O4 Si6 Sm -","- C88 H200 Li2 O8 Si12 Sm2 -","2","0.5","","Woodman, Timothy J.; Schormann, Mark; Bochmann, Manfred","Synthesis, Characterisation and Reactivity of {Ansa-bis(allyl)}lanthanide Complexes, a new Class of Single-Component Methylmethacrylate Polymerization Catalysts","Organometallics","2003","22","14","2938","2943","10.1021/om0301334","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4062085","12.805","0.005","13.873","0.005","17.953","0.005","79.763","0.005","81.826","0.005","62.677","0.005","2781.6","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H60 B F15 Si6 Zr -","- C47 H60 B F15 Si6 Zr -","- C94 H120 B2 F30 Si12 Zr2 -","2","1","","Choukroun, Robert; Wolff, Fabien; Lorber, Christian; Donnadieu, Bruno","C-H Activation of the Trimethylsilyl-Substituted Cyclopentadienyl Ligand in the ""Cation-like"" Complex [Cp'''~2~ZrMe][Me(B(C~6~F~5~)~3~] (Cp''' = η^5^-C~5~H~2~-1,2,4-(SiMe~3~)~3~)","Organometallics","2003","22","11","2245","2248","10.1021/om030167b","","","","","","","","","","","","","","","","","","","","","has coordinates","218186","2020-10-21","18:00:00",""
"4062086","18.44","0.002","22.5372","0.0012","15.9042","0.0018","90","","90","","90","","6609.7","1.1","223","2","223","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C36 H54 Ru3 -","- C36 H52 Ru3 -","- C288 H416 Ru24 -","8","1","","Akiko Inagaki; Toshiro Takao; Makoto Moriya; Hiroharu Suzuki","Thermal Skeletal Rearrangement of a nido-Ruthenacyclopentadiene Complex Involving Reversible Rapture and Formation of a Ruthenium-Ruthenium Bond","Organometallics","2003","22","11","2196","2198","10.1021/om030175s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062087","10.949","0.004","17.795","0.005","17.362","0.003","90","","107.795","0.017","90","","3221.1","1.5","253","2","253","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 Ru3 -","- C35 H52 Ru3 -","- C140 H208 Ru12 -","4","1","","Akiko Inagaki; Toshiro Takao; Makoto Moriya; Hiroharu Suzuki","Thermal Skeletal Rearrangement of a nido-Ruthenacyclopentadiene Complex Involving Reversible Rapture and Formation of a Ruthenium-Ruthenium Bond","Organometallics","2003","22","11","2196","2198","10.1021/om030175s","","","","","","","","","","","","","","","","","","","","","has coordinates","178500","2020-10-21","18:00:00",""
"4062088","10.5879","0.0003","32.1072","0.0008","14.2001","0.0003","90","","92.745","0.001","90","","4821.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C116 H140 Li2 O8 Y2 -","- C115.68 H140.4 Li2 O8 Y2 -","- C231.36 H280.8 Li4 O16 Y4 -","2","0.5","","Kirillov, Evgueni; Toupet, Loic; Lehmann, Christian W.; Razavi, Abbas; Kahlal, Samia; Saillard, Jean-Yves; Carpentier, Jean-François","[(Cp-CMe~2~-Flu)~2~Ln]^-^[Li(ether)n]^+^ (Ln = Y, La): Complexes with Unusual Coordination Modes of the Fluorenyl Ligand and the First Examples of Bis-Ansa Lanthanidocenes","Organometallics","2003","22","20","4038","4046","10.1021/om030181o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192071","2020-10-21","18:00:00",""
"4062089","19.1523","0.0007","10.1817","0.0004","24.7512","0.0012","90","","90","","90","","4826.6","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H70 Li O4 Y -","- C57.71 H69.9 Li O4 Y -","- C230.84 H279.6 Li4 O16 Y4 -","4","1","","Kirillov, Evgueni; Toupet, Loic; Lehmann, Christian W.; Razavi, Abbas; Kahlal, Samia; Saillard, Jean-Yves; Carpentier, Jean-François","[(Cp-CMe~2~-Flu)~2~Ln]^-^[Li(ether)n]^+^ (Ln = Y, La): Complexes with Unusual Coordination Modes of the Fluorenyl Ligand and the First Examples of Bis-Ansa Lanthanidocenes","Organometallics","2003","22","20","4038","4046","10.1021/om030181o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192071","2020-10-21","18:00:00",""
"4062090","12.599","0.002","13.398","0.003","17.133","0.004","67.74","0.02","70.54","0.01","74.977","0.008","2494.2","0.9","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H75 Li O4.5 Y -","- C58.5 H62 Li O4 Y -","- C117 H124 Li2 O8 Y2 -","2","1","","Kirillov, Evgueni; Toupet, Loic; Lehmann, Christian W.; Razavi, Abbas; Kahlal, Samia; Saillard, Jean-Yves; Carpentier, Jean-François","[(Cp-CMe~2~-Flu)~2~Ln]^-^[Li(ether)n]^+^ (Ln = Y, La): Complexes with Unusual Coordination Modes of the Fluorenyl Ligand and the First Examples of Bis-Ansa Lanthanidocenes","Organometallics","2003","22","20","4038","4046","10.1021/om030181o","","","","","","","","","","","","","","","","","","","","","has coordinates","192071","2020-10-21","18:00:00",""
"4062096","17.0009","0.001","10.3704","0.0009","15.9342","0.001","90","","102.085","0.007","90","","2747","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H10 B F15 O2 Ti -","- C30 H10 B F15 O2 Ti -","- C120 H40 B4 F60 O8 Ti4 -","4","1","","Choukroun, Robert; Lorber, Christian; Lepetit, Christine; Donnadieu, Bruno","Reactivity of [Cp~2~Ti(CO)~2~] and B(C~6~F~5~)^3^: Formation of the Acylborane Complexes [Cp2Ti(CO)(η^2^-OCB(C~6~F~5~)~3~)] and [Cp~2~Ti(THF)(η^2^-OCB(C~6~F~5~)~3~)]","Organometallics","2003","22","10","1995","1997","10.1021/om030185t","","","","","","","","","","","","","","","","","","","","","has coordinates","218185","2020-10-21","18:00:00",""
"4062097","9.1752","0.0006","21.0776","0.001","15.6338","0.0008","90","","93.386","0.005","90","","3018.2","1","293","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 B F15 O2 Ti -","- C33 H18 B F15 O2 Ti -","- C132 H72 B4 F60 O8 Ti4 -","4","1","","Choukroun, Robert; Lorber, Christian; Lepetit, Christine; Donnadieu, Bruno","Reactivity of [Cp~2~Ti(CO)~2~] and B(C~6~F~5~)^3^: Formation of the Acylborane Complexes [Cp2Ti(CO)(η^2^-OCB(C~6~F~5~)~3~)] and [Cp~2~Ti(THF)(η^2^-OCB(C~6~F~5~)~3~)]","Organometallics","2003","22","10","1995","1997","10.1021/om030185t","","","","","","","","","","","","","","","","","","","","","has coordinates","218185","2020-10-21","18:00:00",""
"4062098","31.926","0.003","6.0639","0.0005","21.46","0.002","90","","113.481","0.005","90","","3810.6","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Ge(P2C2tBu2)]","","","- C10 H18 Ge P2 -","- C9.21 H16.578 Ge P2 -","- C110.52 H198.936 Ge12 P24 -","12","1.5","","Francis, Matthew D.; Hitchcock, Peter B.","Studies of the 24-Electronnido-5-Vertex Clusters [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb, Sn): Synthesis and Characterization of [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb), [Sn(η^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and [I~2~GeP~2~C~2~Bu^t^~2~] and the Mössbauer Spectrum of [Sn(η^4^-P~2~C~2~Bu^t^~2~)]}","Organometallics","2003","22","14","2891","2896","10.1021/om030186l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218191","2020-10-21","18:00:00",""
"4062099","19.824","0.0019","6.0564","0.0006","10.6501","0.0007","90","","96.014","0.005","90","","1271.64","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Pb(P2C2tBu2)]","","","- C10 H18 P2 Pb -","- C10 H18 P2 Pb -","- C40 H72 P8 Pb4 -","4","0.5","","Francis, Matthew D.; Hitchcock, Peter B.","Studies of the 24-Electronnido-5-Vertex Clusters [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb, Sn): Synthesis and Characterization of [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb), [Sn(η^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and [I~2~GeP~2~C~2~Bu^t^~2~] and the Mössbauer Spectrum of [Sn(η^4^-P~2~C~2~Bu^t^~2~)]}","Organometallics","2003","22","14","2891","2896","10.1021/om030186l","","","","","","","","","","","","","","","","","","","","","has coordinates","218191","2020-10-21","18:00:00",""
"4062100","8.9736","0.0002","19.2898","0.0005","9.9627","0.0002","90","","101.919","","90","","1687.35","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[GeI2(P2C2tBu2)]","","","- C10 H18 Ge I2 P2 -","- C10 H18 Ge I2 P2 -","- C40 H72 Ge4 I8 P8 -","4","1","","Francis, Matthew D.; Hitchcock, Peter B.","Studies of the 24-Electronnido-5-Vertex Clusters [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb, Sn): Synthesis and Characterization of [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb), [Sn(η^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and [I~2~GeP~2~C~2~Bu^t^~2~] and the Mössbauer Spectrum of [Sn(η^4^-P~2~C~2~Bu^t^~2~)]}","Organometallics","2003","22","14","2891","2896","10.1021/om030186l","","","","","","","","","","","","","","","","","","","","","has coordinates","218191","2020-10-21","18:00:00",""
"4062110","7.211","0.002","10.872","0.002","14.069","0.002","98.41","0.02","102.31","0.02","106.73","0.02","1006.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Ti(eta5-Ind){C(NMe2)N(2,6-Me2Ph)}Cl2]","","","- C20 H22 Cl2 N2 Ti -","- C20 H22 Cl2 N2 Ti -","- C40 H44 Cl4 N4 Ti2 -","2","1","","Martins, Ana M.; Ascenso, José R.; de Azevedo, Cristina G.; Dias, Alberto R.; Duarte, M. Teresa; da Silva, João F.; Veiros, Luís F.; Rodrigues, Sandra S.","Insertion of Isocyanides into Group 4 Metal-Carbon and Metal-Nitrogen Bonds. Syntheses and DFT Calculations","Organometallics","2003","22","21","4218","4228","10.1021/om030211n","","","","","","","","","","","","","","","","","","","","","has coordinates","192081","2020-10-21","18:00:00",""
"4062111","12.505","0.002","15.839","0.003","17.342","0.003","90","","90.113","0.001","90","","3434.9","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Zr(eta5-Ind){C(NMe2)N(2,6-Me2Ph)}2Cl]","","","- C62 H74 Cl2 N8 Zr2 -","- C62 H74 Cl2 N8 Zr2 -","- C124 H148 Cl4 N16 Zr4 -","2","1","","Martins, Ana M.; Ascenso, José R.; de Azevedo, Cristina G.; Dias, Alberto R.; Duarte, M. Teresa; da Silva, João F.; Veiros, Luís F.; Rodrigues, Sandra S.","Insertion of Isocyanides into Group 4 Metal-Carbon and Metal-Nitrogen Bonds. Syntheses and DFT Calculations","Organometallics","2003","22","21","4218","4228","10.1021/om030211n","","","","","","","","","","","","","","","","","","","","","has coordinates","192081","2020-10-21","18:00:00",""
"4062120","17.337","0.004","17.05","0.009","6.905","0.008","90","","90","","90","","2041.1","2.6","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C17 H8 Cl Ir N2 O5 W -","- C17 H8 Cl Ir N2 O5 W -","- C68 H32 Cl4 Ir4 N8 O20 W4 -","4","1","","Pizzotti, Maddalena; Ugo, Renato; Dragonetti, Claudia; Annoni, Elisabetta; Demartin, Francesco; Mussini, Patrizia","Unexpected Formation of a Weak Metal-Metal Bond: Synthesis, Electronic Properties, and Second-Order NLO Responses of Push-Pull Late-Early Heteronuclear Bimetallic Complexes with W(CO)~3~(1,10-phenanthroline) Acting as a Donor Ligand","Organometallics","2003","22","20","4001","4011","10.1021/om030247f","","","","","","","0.0488","","","0.1203","","","","","","","","","","","has coordinates","192068","2020-10-21","18:00:00",""
"4062121","7.3963","0.0007","11.3377","0.0011","12.3266","0.0012","83.58","0.01","88.5","0.01","82","0.01","1017.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H8 Cl2 N2 O6 Os W -","- C18 H8 Cl2 N2 O6 Os W -","- C36 H16 Cl4 N4 O12 Os2 W2 -","2","1","","Pizzotti, Maddalena; Ugo, Renato; Dragonetti, Claudia; Annoni, Elisabetta; Demartin, Francesco; Mussini, Patrizia","Unexpected Formation of a Weak Metal-Metal Bond: Synthesis, Electronic Properties, and Second-Order NLO Responses of Push-Pull Late-Early Heteronuclear Bimetallic Complexes with W(CO)~3~(1,10-phenanthroline) Acting as a Donor Ligand","Organometallics","2003","22","20","4001","4011","10.1021/om030247f","","","","","","","0.0305","","","0.0747","","","","","","","","","","","has coordinates","192068","2020-10-21","18:00:00",""
"4062124","13.5817","0.0011","19.9366","0.0016","22.2808","0.0018","90","","105.339","0.003","90","","5818.1","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Ge2 O2 Si8 -","- C42 H84 Ge2 O2 Si8 -","- C168 H336 Ge8 O8 Si32 -","4","1","","Sweeder, Ryan D.; Gdula, Robyn L.; Ludwig, Bonnie J.; Banaszak Holl, Mark M.; Kampf, Jeff W.","Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria","Organometallics","2003","22","16","3222","3229","10.1021/om0302589","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218192","2020-10-21","18:00:00",""
"4062125","11.7386","0.0011","14.3887","0.0013","17.836","0.0016","105.651","0.001","95.873","0.001","111.857","0.001","2622.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H86 Ge2 O2 Si8 -","- C38 H86 Ge2 O2 Si8 -","- C76 H172 Ge4 O4 Si16 -","2","1","","Sweeder, Ryan D.; Gdula, Robyn L.; Ludwig, Bonnie J.; Banaszak Holl, Mark M.; Kampf, Jeff W.","Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria","Organometallics","2003","22","16","3222","3229","10.1021/om0302589","","","","","","","","","","","","","","","","","","","","","has coordinates","218192","2020-10-21","18:00:00",""
"4062126","29.688","0.005","8.9521","0.0015","21.891","0.004","90","","94.9","0.003","90","","5796.7","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H88 Ge2 O2 Si8 -","- C44 H88 Ge2 O2 Si8 -","- C176 H352 Ge8 O8 Si32 -","4","0.5","","Sweeder, Ryan D.; Gdula, Robyn L.; Ludwig, Bonnie J.; Banaszak Holl, Mark M.; Kampf, Jeff W.","Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria","Organometallics","2003","22","16","3222","3229","10.1021/om0302589","","","","","","","","","","","","","","","","","","","","","has coordinates","218192","2020-10-21","18:00:00",""
"4062127","10.106","0.0009","11.2113","0.001","13.9057","0.0012","73.961","0.001","85.505","0.002","76.761","0.002","1473.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Ge N2 O2 Si4 -","- C22 H46 Ge N2 O2 Si4 -","- C44 H92 Ge2 N4 O4 Si8 -","2","1","","Sweeder, Ryan D.; Gdula, Robyn L.; Ludwig, Bonnie J.; Banaszak Holl, Mark M.; Kampf, Jeff W.","Germylene Reactions with Quinones Shed Light on Germylene Phenone Equilibria","Organometallics","2003","22","16","3222","3229","10.1021/om0302589","","","","","","","","","","","","","","","","","","","","","has coordinates","218192","2020-10-21","18:00:00",""
"4062130","12.399","0.003","19.467","0.003","9.607","0.002","90","","90","","90","","2318.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H74 N6 Zr -","- C46 H74 N6 Zr -","- C92 H148 N12 Zr2 -","2","0.5","","Benetollo, Franco; Carta, Giovanni; Cavinato, Gianni; Crociani, Laura; Paolucci, Gino; Rossetto, Gilberto; Veronese, Francesco; Zanella, Pierino","New η^2^-formamidinyl Zr Complexes: Synthesis, Characterization and Catalytic activity","Organometallics","2003","22","20","3985","3990","10.1021/om030268+","","","","","","","","","","","","","","","","","","","","","has coordinates","192066","2020-10-21","18:00:00",""
"4062134","19.693","0.004","10.35","0.002","13.524","0.003","90","","90","","90","","2756.5","0.9","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 Cl3 Mo N2 O3 -","- C30 H23 Cl3 Mo N2 O3 -","- C120 H92 Cl12 Mo4 N8 O12 -","4","1","","Morales, Dolores; Navarro Clemente, M. Elena; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel","Reactivity of [MCl(η^3^-allyl)(1,10-phenanthroline)(CO)2] (M = Mo, W) Complexes toward Enolate Anions","Organometallics","2003","22","20","4124","4128","10.1021/om030275y","","","","","","","","","","","","","","","","","","","","","has coordinates","192075","2020-10-21","18:00:00",""
"4062135","21.663","0.002","21.663","0.002","15.609","0.002","90","","90","","90","","7325.1","1.5","299","2","299","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H17 Mo N3 O2 -","- C20 H17 Mo N3 O2 -","- C320 H272 Mo16 N48 O32 -","16","1","","Morales, Dolores; Navarro Clemente, M. Elena; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel","Reactivity of [MCl(η^3^-allyl)(1,10-phenanthroline)(CO)2] (M = Mo, W) Complexes toward Enolate Anions","Organometallics","2003","22","20","4124","4128","10.1021/om030275y","","","","","","","","","","","","","","","","","","","","","has coordinates","192075","2020-10-21","18:00:00",""
"4062139","13.682","0.005","21.928","0.005","27.427","0.005","90","0.005","97.865","0.005","90","0.005","8151","4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 Cl2 Fe P4 Pd -","- C66 H62 Cl2 Fe P4 Pd -","- C264 H248 Cl8 Fe4 P16 Pd4 -","4","1","","Hierso, Jean-Cyrille; Fihri, Aziz; Amardeil, Régine; Meunier, Philippe; Doucet, Henri; Santelli, Maurice; Donnadieu, Bruno","A Palladium-Ferrocenyl Tetraphosphine System as Catalyst for Suzuki Cross-Coupling and Heck Vinylation of Aryl Halides: Dynamic Behavior of the Palladium/Phosphine Species.","Organometallics","2003","22","22","4490","4499","10.1021/om0302948","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4062140","14.288","0.005","22.874","0.005","21.427","0.005","90","0.005","105.951","0.005","90","0.005","6733","3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H64 Cl10 Fe P4 Pd2 -","- C68 H64 Cl10 Fe P4 Pd2 -","- C272 H256 Cl40 Fe4 P16 Pd8 -","4","1","","Hierso, Jean-Cyrille; Fihri, Aziz; Amardeil, Régine; Meunier, Philippe; Doucet, Henri; Santelli, Maurice; Donnadieu, Bruno","A Palladium-Ferrocenyl Tetraphosphine System as Catalyst for Suzuki Cross-Coupling and Heck Vinylation of Aryl Halides: Dynamic Behavior of the Palladium/Phosphine Species.","Organometallics","2003","22","22","4490","4499","10.1021/om0302948","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4062158","10.392","0.0016","11.269","0.002","17.06","0.002","87.299","0.012","80.598","0.012","82.705","0.017","1954.4","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","(2,6-Mes2C6H3)2GaMe","","","- C49 H53 Ga -","- C49 H53 Ga -","- C98 H106 Ga2 -","2","1","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062159","11.755","0.004","12.046","0.004","18.668","0.006","95.977","0.018","104.66","0.02","114.229","0.009","2266.5","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","(2,6-Mes2C6H3)2Gat-Bu 0.5 C6H14","","","- C55 H66 Ga -","- C55 H66 Ga -","- C110 H132 Ga2 -","2","1","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062160","20.7761","0.001","42.558","0.002","8.3874","0.0004","90","","90","","90","","7416.1","0.6","97","2","97","2","","","","","","","","4","F d d 2","F 2 -2d","43","(2,6-Mes2C6H3)2GaH0.70O0.30","","","- C48 H51 Ga O0.3 -","- C48 H51 Ga O0.3 -","- C384 H408 Ga8 O2.4 -","8","0.5","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062161","18.1341","0.001","20.0259","0.0011","23.747","0.0013","90","","90","","90","","8623.8","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[2,6-Mes2C6H3Ga(Cl)(u-OH)]2","","","- C48 H52 Cl2 Ga2 O2 -","- C48 H52 Cl2 Ga2 O2 -","- C384 H416 Cl16 Ga16 O16 -","8","1","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062162","21.965","0.002","9.087","0.003","24.186","0.003","90","","114.337","0.007","90","","4398.3","1.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[2,6-Mes2C6H3Ga(Me)(u-OH)]2","","","- C50 H58 Ga2 O2 -","- C50 H58 Ga2 O2 -","- C200 H232 Ga8 O8 -","4","1","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062163","11.8097","0.0008","15.7004","0.0011","20.7826","0.0015","90","","90","","90","","3853.4","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2,6-Mes2C6H3)2Ga(OH)0.70H0.30","","","- C48 H51 Ga O0.7 -","- C48 H51 Ga O0.7 -","- C192 H204 Ga4 O2.8 -","4","1","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062164","15.518","0.003","13.419","0.003","12.663","0.003","90","","111.07","0.03","90","","2460.6","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[Os(bipyridil)2(CO)Cl]PF6","","","- C21 H16 Cl F6 N4 O Os P -","- C21 H16 Cl F6 N4 O Os P -","- C84 H64 Cl4 F24 N16 O4 Os4 P4 -","4","0.5","","Gobetto, Roberto; Nervi, Carlo; Romanin, Barbara; Salassa, Luca; Milanesio, Marco; Croce, Gianluca","X-ray Structures and Complete NMR Assignment by DFT Calculations of [Os(bpy)~2~(CO)Cl]PF~6~ and [Os(bpy)~2~(CO)H]PF~6~ Complexes","Organometallics","2003","22","20","4012","4019","","","","","","","","","","","","","","","","","","","","","","has coordinates","192069","2020-10-21","18:00:00",""
"4062165","8.704","0.004","9.959","0.004","13.113","0.004","91.9","0.04","97.53","0.04","93.08","0.04","1124.3","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Os(bipyridil)2(CO)H]PF6","","","- C21 H17 F6 N4 O Os P -","- C21 H17 F6 N4 O Os P -","- C42 H34 F12 N8 O2 Os2 P2 -","2","1","","Gobetto, Roberto; Nervi, Carlo; Romanin, Barbara; Salassa, Luca; Milanesio, Marco; Croce, Gianluca","X-ray Structures and Complete NMR Assignment by DFT Calculations of [Os(bpy)~2~(CO)Cl]PF~6~ and [Os(bpy)~2~(CO)H]PF~6~ Complexes","Organometallics","2003","22","20","4012","4019","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192069","2020-10-21","18:00:00",""
"4062168","10.2475","0.0003","11.6675","0.0004","16.3918","0.0007","74.426","0.001","89.208","0.001","72.497","0.002","1795.7","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Co4 O10 P2 -","- C35 H22 Co4 O10 P2 -","- C70 H44 Co8 O20 P4 -","2","1","","Choualeb, Aldjia; Braunstein, Pierre; Rosé, Jacky; Bouaoud, Salah-Eddine; Welter, Richard","Reactions of Diphosphine-Stabilized Tetracobalt Carbonyl Clusters with -Si(OR)~3~-Functionalized Alkynes","Organometallics","2003","22","22","4405","4417","10.1021/om030327j","","","","","","","","","","","","","","","","","","","","","has coordinates","192094","2020-10-21","18:00:00",""
"4062169","11.139","0.005","11.258","0.005","17.036","0.005","83.81","0.02","77.82","0.02","65.28","0.02","1896.5","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Co4 O8 P2 -","- C41 H28 Co4 O8 P2 -","- C82 H56 Co8 O16 P4 -","2","1","","Choualeb, Aldjia; Braunstein, Pierre; Rosé, Jacky; Bouaoud, Salah-Eddine; Welter, Richard","Reactions of Diphosphine-Stabilized Tetracobalt Carbonyl Clusters with -Si(OR)~3~-Functionalized Alkynes","Organometallics","2003","22","22","4405","4417","10.1021/om030327j","","","","","","","","","","","","","","","","","","","","","has coordinates","192094","2020-10-21","18:00:00",""
"4062170","22.045","0.005","17.711","0.005","21.797","0.005","90","","110.557","0.005","90","","7968","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H28 Cl Co4 N O8 P2 -","- C40.5 H28 Cl Co4 N O8 P2 -","- C324 H224 Cl8 Co32 N8 O64 P16 -","8","1","","Choualeb, Aldjia; Braunstein, Pierre; Rosé, Jacky; Bouaoud, Salah-Eddine; Welter, Richard","Reactions of Diphosphine-Stabilized Tetracobalt Carbonyl Clusters with -Si(OR)~3~-Functionalized Alkynes","Organometallics","2003","22","22","4405","4417","10.1021/om030327j","","","","","","","","","","","","","","","","","","","","","has coordinates","192094","2020-10-21","18:00:00",""
"4062171","11.637","0.0002","17.968","0.0003","18.617","0.0003","70.679","0.0009","77.303","0.0009","73.45","0.0007","3487.19","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H63 Co4 N O11 P4 Si -","- C66 H63 Co4 N O11 P4 Si -","- C132 H126 Co8 N2 O22 P8 Si2 -","2","1","","Choualeb, Aldjia; Braunstein, Pierre; Rosé, Jacky; Bouaoud, Salah-Eddine; Welter, Richard","Reactions of Diphosphine-Stabilized Tetracobalt Carbonyl Clusters with -Si(OR)~3~-Functionalized Alkynes","Organometallics","2003","22","22","4405","4417","10.1021/om030327j","","","","","","","","","","","","","","","","","","","","","has coordinates","192094","2020-10-21","18:00:00",""
"4062172","10.807","0.005","12.078","0.005","17.196","0.005","79.49","0.005","74.334","0.005","68.537","0.005","2002.5","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Co4 O8 P2 Si -","- C40 H32 Co4 O8 P2 Si -","- C80 H64 Co8 O16 P4 Si2 -","2","1","","Choualeb, Aldjia; Braunstein, Pierre; Rosé, Jacky; Bouaoud, Salah-Eddine; Welter, Richard","Reactions of Diphosphine-Stabilized Tetracobalt Carbonyl Clusters with -Si(OR)~3~-Functionalized Alkynes","Organometallics","2003","22","22","4405","4417","10.1021/om030327j","","","","","","","","","","","","","","","","","","","","","has coordinates","192094","2020-10-21","18:00:00",""
"4062173","9.4241","0.0008","9.8557","0.0008","10.258","0.0008","93.61","0.001","111.696","0.001","114.828","0.001","776.09","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 N Ni O2 -","- C17 H22 N Ni O2 -","- C34 H44 N2 Ni2 O4 -","2","1","","Shim, Chang Bo; Kim, Young Heui; Lee, Bun Yeoul; Dong, Yongkwan; Yun, Hoseop","[2-(Alkylideneamino)benzoato]nickel(II) Complexes: Active Catalysts for Ethylene Polymerization","Organometallics","2003","22","21","4272","4280","10.1021/om0303303","","","","","","","0.0281","","","0.0826","","","","","","","","","","","has coordinates","192084","2020-10-21","18:00:00",""
"4062174","12.4931","0.0003","19.2695","0.0004","14.7536","0.0006","90","","108.017","0.0012","90","","3377.56","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 B F15 N Ni O2 -","- C35 H21 B F15 N Ni O2 -","- C140 H84 B4 F60 N4 Ni4 O8 -","4","1","","Shim, Chang Bo; Kim, Young Heui; Lee, Bun Yeoul; Dong, Yongkwan; Yun, Hoseop","[2-(Alkylideneamino)benzoato]nickel(II) Complexes: Active Catalysts for Ethylene Polymerization","Organometallics","2003","22","21","4272","4280","10.1021/om0303303","","","","","","","","","","","","","","","","","","","","","has coordinates","192084","2020-10-21","18:00:00",""
"4062175","14.255","0.009","22.582","0.013","11.208","0.007","90","","108.98","0.05","90","","3411","4","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H19 B F15 N Ni O2 -","- C34 H19 B F15 N Ni O2 -","- C136 H76 B4 F60 N4 Ni4 O8 -","4","1","","Shim, Chang Bo; Kim, Young Heui; Lee, Bun Yeoul; Dong, Yongkwan; Yun, Hoseop","[2-(Alkylideneamino)benzoato]nickel(II) Complexes: Active Catalysts for Ethylene Polymerization","Organometallics","2003","22","21","4272","4280","10.1021/om0303303","","","","","","","","","","","","","","","","","","","","","has coordinates","192084","2020-10-21","18:00:00",""
"4062176","19.276","0.012","18.25","0.012","9.935","0.007","90","","96.6","0.05","90","","3472","4","150","1","150","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C37 H23 B F15 N Ni O2 -","- C37 H23 B F15 N Ni O2 -","- C148 H92 B4 F60 N4 Ni4 O8 -","4","1","","Shim, Chang Bo; Kim, Young Heui; Lee, Bun Yeoul; Dong, Yongkwan; Yun, Hoseop","[2-(Alkylideneamino)benzoato]nickel(II) Complexes: Active Catalysts for Ethylene Polymerization","Organometallics","2003","22","21","4272","4280","10.1021/om0303303","","","","","","","","","","","","","","","","","","","","","has coordinates","192084","2020-10-21","18:00:00",""
"4062177","23.307","0.0008","21.6187","0.0008","14.3394","0.0004","90","","90","","90","","7225.2","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C34 H17 B F15 N Ni0.5 O2 -","- C34 H17 B F15 N Ni0.5 O2 -","- C272 H136 B8 F120 N8 Ni4 O16 -","8","1","","Shim, Chang Bo; Kim, Young Heui; Lee, Bun Yeoul; Dong, Yongkwan; Yun, Hoseop","[2-(Alkylideneamino)benzoato]nickel(II) Complexes: Active Catalysts for Ethylene Polymerization","Organometallics","2003","22","21","4272","4280","10.1021/om0303303","","","","","","","","","","","","","","","","","","","","","has coordinates","192084","2020-10-21","18:00:00",""
"4062179","9.7432","0.0006","23.3215","0.0016","20.5948","0.0014","90","","94.085","0.001","90","","4667.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H58 Cl P3 Ru -","- C53 H44 Cl P3 Ru -","- C212 H176 Cl4 P12 Ru4 -","4","1","","Guan, Hairong; Iimura, Masanori; Magee, Matthew P.; Norton, Jack R.; Janak, Kevin E.","Effect of Chelate Ring Size on the Rate of Hydride Transfer from CpRu(P-P)H (P-P = Chelating Diphosphine) to an Iminium Cation","Organometallics","2003","22","20","4084","4089","10.1021/om0303404","","","","","","","","","","","","","","","","","","","","","has coordinates","192073","2020-10-21","18:00:00",""
"4062180","9.7901","0.0005","17.0869","0.001","17.2365","0.001","90","","95.237","0.001","90","","2871.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Cl2 P2 Ru -","- C31 H30 Cl2 P2 Ru -","- C124 H120 Cl8 P8 Ru4 -","4","1","","Guan, Hairong; Iimura, Masanori; Magee, Matthew P.; Norton, Jack R.; Janak, Kevin E.","Effect of Chelate Ring Size on the Rate of Hydride Transfer from CpRu(P-P)H (P-P = Chelating Diphosphine) to an Iminium Cation","Organometallics","2003","22","20","4084","4089","10.1021/om0303404","","","","","","","","","","","","","","","","","","","","","has coordinates","192073","2020-10-21","18:00:00",""
"4062181","11.7095","0.0006","18.9662","0.0009","14.3963","0.0007","90","","107.391","0.001","90","","3051","0.3","243","2","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 P2 Ru -","- C37 H36 P2 Ru -","- C148 H144 P8 Ru4 -","4","1","","Guan, Hairong; Iimura, Masanori; Magee, Matthew P.; Norton, Jack R.; Janak, Kevin E.","Effect of Chelate Ring Size on the Rate of Hydride Transfer from CpRu(P-P)H (P-P = Chelating Diphosphine) to an Iminium Cation","Organometallics","2003","22","20","4084","4089","10.1021/om0303404","","","","","","","","","","","","","","","","","","","","","has coordinates","192073","2020-10-21","18:00:00",""
"4062182","11.0831","0.0007","27.395","0.0017","18.6843","0.0011","90","","92.217","0.001","90","","5668.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 P2 Ru -","- C35 H30 P2 Ru -","- C280 H240 P16 Ru8 -","8","2","","Guan, Hairong; Iimura, Masanori; Magee, Matthew P.; Norton, Jack R.; Janak, Kevin E.","Effect of Chelate Ring Size on the Rate of Hydride Transfer from CpRu(P-P)H (P-P = Chelating Diphosphine) to an Iminium Cation","Organometallics","2003","22","20","4084","4089","10.1021/om0303404","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192073","2020-10-21","18:00:00",""
"4062183","10.6447","0.0005","19.8601","0.0009","13.3136","0.0006","90","","98.786","0.001","90","","2781.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 P2 Ru -","- C33 H33 P2 Ru -","- C132 H132 P8 Ru4 -","4","1","","Guan, Hairong; Iimura, Masanori; Magee, Matthew P.; Norton, Jack R.; Janak, Kevin E.","Effect of Chelate Ring Size on the Rate of Hydride Transfer from CpRu(P-P)H (P-P = Chelating Diphosphine) to an Iminium Cation","Organometallics","2003","22","20","4084","4089","10.1021/om0303404","","","","","","","","","","","","","","","","","","","","","has coordinates","192073","2020-10-21","18:00:00",""
"4062200","8.978","0.002","10.714","0.003","12.053","0.003","86.5","0.018","72.212","0.014","85.46","0.02","1099.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl Hg N P -","- C25 H21 Cl Hg N P -","- C50 H42 Cl2 Hg2 N2 P2 -","2","1","","Vicente, José; Abad, José-Antonio; Clemente, Rafael; López-Serrano, Joaquín; Ramírez de Arellano, M. Carmen; Jones, Peter G.; Bautista, Delia","Mercurated and Palladated Iminophosphoranes. Synthesis and Reactivity","Organometallics","2003","22","21","4248","4259","10.1021/om0303552","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062201","10.802","0.002","11.848","0.002","21.5","0.004","97.91","0.03","91.32","0.03","111.29","0.03","2531.7","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H50 Cl2 N2 O4 P2 Pd2 -","- C55 H50 Cl2 N2 O4 P2 Pd2 -","- C110 H100 Cl4 N4 O8 P4 Pd4 -","2","1","","Vicente, José; Abad, José-Antonio; Clemente, Rafael; López-Serrano, Joaquín; Ramírez de Arellano, M. Carmen; Jones, Peter G.; Bautista, Delia","Mercurated and Palladated Iminophosphoranes. Synthesis and Reactivity","Organometallics","2003","22","21","4248","4259","10.1021/om0303552","","","","","","","","","","","","","","","","","","","","","has coordinates","192082","2020-10-21","18:00:00",""
"4062204","19.999","0.004","13.788","0.003","14.508","0.003","90","","123.423","0.004","90","","3338.8","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Fe2 O4 Si2 -","- C34 H42 Fe2 O4 Si2 -","- C136 H168 Fe8 O16 Si8 -","4","0.5","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062205","9.162","0.004","15.227","0.006","12.986","0.005","90","","91.098","0.008","90","","1811.4","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Fe2 Ge O4 -","- C18.7 H12 Fe2 Ge1.3 O4 -","- C74.8 H48 Fe8 Ge5.2 O16 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062206","9.429","0.003","10.627","0.003","28.228","0.008","90","","92.313","0.005","90","","2826.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Fe2 O4 Si -","- C27 H34 Fe2 O4 Si -","- C108 H136 Fe8 O16 Si4 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062207","18.743","0.006","13.562","0.005","19.554","0.007","90","","106.116","0.006","90","","4775","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Fe2 O4 -","- C25 H30 Fe2 O4 -","- C200 H240 Fe16 O32 -","8","2","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062208","8.394","0.004","10.097","0.004","16.13","0.007","72.204","0.007","79.04","0.007","88.16","0.007","1277.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 Fe2 O4 Si -","- C29 H22 Fe2 O4 Si -","- C58 H44 Fe4 O8 Si2 -","2","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062209","10.006","0.004","12.069","0.005","17.325","0.008","90","","90","","90","","2092.2","1.6","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 N0 O4 Si -","- C22 H22 Fe2 O4 Si -","- C88 H88 Fe8 O16 Si4 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062210","9.505","0.003","17.433","0.006","13.441","0.005","90","","109.99","0.006","90","","2092.9","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Fe2 O4 Si -","- C22 H22 Fe2 O4 Si -","- C88 H88 Fe8 O16 Si4 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062211","9.937","0.003","12.085","0.004","17.485","0.005","90","","90","","90","","2099.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 Ge O4 -","- C22 H22 Fe2 Ge O4 -","- C88 H88 Fe8 Ge4 O16 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062212","7.895","0.006","8.874","0.006","13.927","0.01","104.962","0.012","90.808","0.013","105.267","0.013","905.8","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Fe2 O5 Si -","- C18 H16 Fe2 O5 Si -","- C36 H32 Fe4 O10 Si2 -","2","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062213","8.3","0.004","11.905","0.005","9.169","0.004","90","","113.149","0.007","90","","833.1","0.6","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 Fe2 O4 Si -","- C17 H14 Fe2 O4 Si -","- C34 H28 Fe4 O8 Si2 -","2","0.5","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062214","10.092","0.004","12.968","0.005","29.395","0.01","90","","106.506","0.012","90","","3688","2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H32 Fe4 Ge2 O10 -","- C36 H32 Fe4 Ge2 O10 -","- C144 H128 Fe16 Ge8 O40 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062215","10.147","0.004","13.971","0.005","12.3","0.005","90","","104.543","0.007","90","","1687.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Fe2 Ge O4 -","- C17 H14 Fe2 Ge O4 -","- C68 H56 Fe8 Ge4 O16 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062216","15.435","0.003","9.6089","0.0019","18.519","0.004","90","","100.02","0.03","90","","2704.7","0.9","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Cu2 O4 Si4 -","- C18 H36 Cu2 O4 Si4 -","- C72 H144 Cu8 O16 Si16 -","4","0.5","","Köhler, Katrin; Eichhorn, Jens; Meyer, Franc; Vidovic, Denis","Dicopper(I) Oxalate Complexes Stabilized by Lewis Bases: Potential Precursors for Copper Deposition","Organometallics","2003","22","22","4426","4432","10.1021/om0303653","","","","","","","","","","","","","","","","","","","","","has coordinates","192095","2020-10-21","18:00:00",""
"4062217","9.837","0.002","5.3678","0.0011","15.316","0.003","90","","108.1","0.03","90","","768.7","0.3","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu2 O4 -","- C14 H20 Cu2 O4 -","- C28 H40 Cu4 O8 -","2","0.5","","Köhler, Katrin; Eichhorn, Jens; Meyer, Franc; Vidovic, Denis","Dicopper(I) Oxalate Complexes Stabilized by Lewis Bases: Potential Precursors for Copper Deposition","Organometallics","2003","22","22","4426","4432","10.1021/om0303653","","","","","","","","","","","","","","","","","","","","","has coordinates","192095","2020-10-21","18:00:00",""
"4062221","12.1239","0.0005","17.0782","0.0007","20.3922","0.0008","90","","93.475","0.001","90","","4214.5","0.3","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H67 Cl N3 O Sc -","- C45 H67 Cl N3 O Sc -","- C180 H268 Cl4 N12 O4 Sc4 -","4","1","","Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex","Organometallics","2003","22","23","4705","4714","10.1021/om030374b","","","","","","","","","","","","","","","","","","","","","has coordinates","192122","2020-10-21","18:00:00",""
"4062222","11.3666","0.0006","17.6914","0.0009","22.4483","0.0012","90","","91.694","0.001","90","","4512.2","0.4","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H75 B N3 Sc -","- C47 H75 B N3 Sc -","- C188 H300 B4 N12 Sc4 -","4","1","","Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex","Organometallics","2003","22","23","4705","4714","10.1021/om030374b","","","","","","","","","","","","","","","","","","","","","has coordinates","192122","2020-10-21","18:00:00",""
"4062223","10.0234","0.0011","11.1852","0.0012","19.658","0.002","84.59","0.003","83.677","0.003","70.261","0.003","2058","0.4","127","2","127","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H64 N3 O Sc -","- C43 H64 N3 O Sc -","- C86 H128 N6 O2 Sc2 -","2","1","","Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex","Organometallics","2003","22","23","4705","4714","10.1021/om030374b","","","","","","","","","","","","","","","","","","","","","has coordinates","192122","2020-10-21","18:00:00",""
"4062224","40.771","0.005","9.7758","0.0015","20.661","0.004","90","","101.259","0.008","90","","8077","2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 N3 O Sc -","- C43 H62 N3 O Sc -","- C344 H496 N24 O8 Sc8 -","8","2","","Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex","Organometallics","2003","22","23","4705","4714","10.1021/om030374b","","","","","","","","","","","","","","","","","","","","","has coordinates","192122","2020-10-21","18:00:00",""
"4062225","10.2169","0.0003","11.596","0.0004","22.0076","0.0007","97.906","0.001","95.613","0.001","105.822","0.001","2459.55","0.14","138","2","138","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H75 N3 O1.5 Sc -","- C56 H74.5 N3 O1.5 Sc -","- C112 H149 N6 O3 Sc2 -","2","1","","Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex","Organometallics","2003","22","23","4705","4714","10.1021/om030374b","","","","","","","","","","","","","","","","","","","","","has coordinates","192122","2020-10-21","18:00:00",""
"4062226","20.2074","0.0019","10.7832","0.001","20.592","0.002","90","","91.364","0.002","90","","4485.7","0.7","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H73 N3 O0.5 Sc -","- C47 H72 N3 O0.5 Sc -","- C188 H288 N12 O2 Sc4 -","4","1","","Basuli, Falguni; Tomaszewski, John; Huffman, John C.; Mindiola, Daniel J.","Carbon-Oxygen Bond Cleavage Promoted by a Scandium Borohydride Complex","Organometallics","2003","22","23","4705","4714","10.1021/om030374b","","","","","","","","","","","","","","","","","","","","","has coordinates","192122","2020-10-21","18:00:00",""
"4062227","8.0741","0.0009","15.1392","0.0017","9.0313","0.001","90","","104.613","0.002","90","","1068.2","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H29 Cl N O2 P Ru -","- C18 H29 Cl N O2 P Ru -","- C36 H58 Cl2 N2 O4 P2 Ru2 -","2","1","","Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium","Organometallics","2003","22","","3927","","10.1021/om030386x","","","","","","","","","","","","","","","","","","","","","has coordinates","178518","2020-10-21","18:00:00",""
"4062228","10.6688","0.0006","10.2497","0.0006","12.1164","0.0007","90","","90","","90","","1324.95","0.13","173","2","173","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C18 H29 Al Cl4 N O2 P Ru -","- C18 H29 Al Cl4 N O2 P Ru -","- C36 H58 Al2 Cl8 N2 O4 P2 Ru2 -","2","0.5","","Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium","Organometallics","2003","22","","3927","","10.1021/om030386x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062229","10.6783","0.0008","10.2353","0.0008","12.1246","0.0009","90","","90","","90","","1325.17","0.17","293","2","293","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C18 H29 Al Cl4 N O2 Os P -","- C18 H29 Al Cl4 N O2 Os P -","- C36 H58 Al2 Cl8 N2 O4 Os2 P2 -","2","0.5","","Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium","Organometallics","2003","22","","3927","","10.1021/om030386x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062230","22.4683","0.001","11.8999","0.0005","19.4901","0.0008","90","","91.787","0.001","90","","5208.5","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Al Cl4 Fe N O2 P -","- C18 H29 Al Cl4 Fe N O2 P -","- C144 H232 Al8 Cl32 Fe8 N8 O16 P8 -","8","2","","Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Terminal Aminophosphinidene Complexes of Iron, Ruthenium and Osmium","Organometallics","2003","22","","3927","","10.1021/om030386x","","","","","","","","","","","","","","","","","","","","","has coordinates","178518","2020-10-21","18:00:00",""
"4062238","11.065","0.001","12.786","0.002","14.356","0.002","65.98","0.01","81.43","0.01","77.94","0.01","1809.6","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H50 In N5 -","- C39 H50 In N5 -","- C78 H100 In2 N10 -","2","1","","Iravani, Effat; Neumüller, Bernhard","Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles","Organometallics","2003","22","20","4129","4135","10.1021/om0303956","","","","","","","","","","","","","","","","","","","","","has coordinates","192076","2020-10-21","18:00:00",""
"4062239","10.288","0.001","12.973","0.002","15.105","0.002","75.3","0.01","73.56","0.01","83.82","0.01","1868.9","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 In2 N2 O2 -","- C20 H24 In N O -","- C80 H96 In4 N4 O4 -","4","2","","Iravani, Effat; Neumüller, Bernhard","Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles","Organometallics","2003","22","20","4129","4135","10.1021/om0303956","","","","","","","","","","","","","","","","","","","","","has coordinates","192076","2020-10-21","18:00:00",""
"4062240","13.79","0.002","15.279","0.003","22.582","0.004","100.32","0.01","107.05","0.01","101.77","0.01","4306","1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Li2 N2 O4 -","- C44 H60 Li2 N2 O4 -","- C176 H240 Li8 N8 O16 -","4","2","","Iravani, Effat; Neumüller, Bernhard","Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles","Organometallics","2003","22","20","4129","4135","10.1021/om0303956","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192076","2020-10-21","18:00:00",""
"4062241","10.72","0.002","6.297","0.001","16.385","0.002","90","","107.28","0.01","90","","1056.1","0.3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ph~2~C(H)CN","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","1","","Iravani, Effat; Neumüller, Bernhard","Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles","Organometallics","2003","22","20","4129","4135","10.1021/om0303956","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062242","19.8454","0.0016","15.2222","0.0016","19.967","0.002","90","","116.806","0.003","90","","5383.6","0.9","300","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 N8 O4 Ru2 -","- C56 H62 N8 O4 Ru2 -","- C224 H248 N32 O16 Ru8 -","4","0.5","","Hurst, Stephanie K.; Xu, Guo-Lin; Ren, Tong","Bis-Adducts of Substituted Phenylethynyl on a Ru~2~(DMBA)~4~ Core: Effect of Donor/Acceptor Modifications","Organometallics","2003","22","20","4118","4123","10.1021/om030401y","","","","","","","","","","","","","","","","","","","","","has coordinates","192074","2020-10-21","18:00:00",""
"4062243","21.366","0.003","18.02","0.003","16.741","0.003","90","","115.581","0.002","90","","5813.5","1.5","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 Cl4 N10 O4 Ru2 -","- C54 H56 Cl4 N10 O4 Ru2 -","- C216 H224 Cl16 N40 O16 Ru8 -","4","0.5","","Hurst, Stephanie K.; Xu, Guo-Lin; Ren, Tong","Bis-Adducts of Substituted Phenylethynyl on a Ru~2~(DMBA)~4~ Core: Effect of Donor/Acceptor Modifications","Organometallics","2003","22","20","4118","4123","10.1021/om030401y","","","","","","","","","","","","","","","","","","","","","has coordinates","192074","2020-10-21","18:00:00",""
"4062244","30.993","0.0007","8.9763","0.0002","18.5724","0.0005","90","","115.937","0.0011","90","","4646.44","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 B18 Co N P2 -","- C42 H56 B18 Co N P2 -","- C168 H224 B72 Co4 N4 P8 -","4","0.5","","Rojo, Isabel; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Viñas, Clara","Methylation and Demethylation in Cobaltabis(dicarbollide) Derivatives","Organometallics","2003","22","23","4642","4646","10.1021/om030412r","","","","","","","","","","","","","","","","","","","","","has coordinates","192120","2020-10-21","18:00:00",""
"4062245","7.7868","0.0003","8.3327","0.0004","8.5418","0.0004","101.719","0.001","112.587","0.001","107.314","0.001","455.76","0.04","90","1","90","1","","","","","","","","4","P -1","-P 1","2","In2Me4(acac)2","","","- C14 H26 In2 O4 -","- C14 H26 In2 O4 -","- C14 H26 In2 O4 -","1","0.5","","Beachley, O. T.; MacRae, David J.; Churchill, Melvyn Rowen; Kovalevsky, Andrey Yu.; Robirds, Eric S.","Cyclopentadiene Elimination Reactions for the Preparation of Organoindium(III) Derivatives. Crystal and Molecular Structures of Me~2~In(acac), (Me~3~CCH~2~)~2~In(acac), (Me)(Me~3~CCH~2~)In(acac), and [Me~2~InNH(t-Bu)]~2~","Organometallics","2003","22","20","3991","4000","10.1021/om0304154","","","","","","","","","","","","","","","","","","","","","has coordinates","192067","2020-10-21","18:00:00",""
"4062246","11.112","0.002","7.265","0.002","16.555","0.003","90","","102.43","0.03","90","","1305.1","0.5","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","In2Me2Np2(acac)2","","","- C22 H42 In2 O4 -","- C22 H42 In2 O4 -","- C44 H84 In4 O8 -","2","0.5","","Beachley, O. T.; MacRae, David J.; Churchill, Melvyn Rowen; Kovalevsky, Andrey Yu.; Robirds, Eric S.","Cyclopentadiene Elimination Reactions for the Preparation of Organoindium(III) Derivatives. Crystal and Molecular Structures of Me~2~In(acac), (Me~3~CCH~2~)~2~In(acac), (Me)(Me~3~CCH~2~)In(acac), and [Me~2~InNH(t-Bu)]~2~","Organometallics","2003","22","20","3991","4000","10.1021/om0304154","","","","","","","","","","","","","","","","","","","","","has coordinates","192067","2020-10-21","18:00:00",""
"4062247","9.5246","0.0008","9.5363","0.0008","9.8629","0.0008","102.705","0.002","91.902","0.002","104.773","0.002","841.2","0.1","90","1","90","1","","","","","","","","4","P -1","-P 1","2","In2Np4(acac)2","","","- C15 H29 In O2 -","- C15 H29 In O2 -","- C30 H58 In2 O4 -","2","1","","Beachley, O. T.; MacRae, David J.; Churchill, Melvyn Rowen; Kovalevsky, Andrey Yu.; Robirds, Eric S.","Cyclopentadiene Elimination Reactions for the Preparation of Organoindium(III) Derivatives. Crystal and Molecular Structures of Me~2~In(acac), (Me~3~CCH~2~)~2~In(acac), (Me)(Me~3~CCH~2~)In(acac), and [Me~2~InNH(t-Bu)]~2~","Organometallics","2003","22","20","3991","4000","10.1021/om0304154","","","","","","","","","","","","","","","","","","","","","has coordinates","192067","2020-10-21","18:00:00",""
"4062248","16.653","0.002","12.987","0.002","16.165","0.002","90","","96.666","0.004","90","","3472.2","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C47 H32 Si -","- C47 H32 Si -","- C188 H128 Si4 -","4","0.5","","Russell, Alexander G.; Spencer, Neil S.; Philp, Douglas; Kariuki, Benson M.; Snaith, John S.","The First Spirobifluorenes Containing Two Binaphthyl Moieties","Organometallics","2003","22","26","5589","5592","10.1021/om030422s","","","","","","","0.0719","","","0.1892","","","","","","","","","","","has coordinates","218194","2020-10-21","18:00:00",""
"4062249","16.457","0.0002","13.0298","0.0002","16.1438","0.0003","90","","96.588","0.001","90","","3438.88","0.09","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C47 H32 Ge -","- C47 H32 Ge -","- C188 H128 Ge4 -","4","0.5","","Russell, Alexander G.; Spencer, Neil S.; Philp, Douglas; Kariuki, Benson M.; Snaith, John S.","The First Spirobifluorenes Containing Two Binaphthyl Moieties","Organometallics","2003","22","26","5589","5592","10.1021/om030422s","","","","","","","","","","","","","","","","","","","","","has coordinates","218194","2020-10-21","18:00:00",""
"4062250","9.0185","0.0007","12.8991","0.001","16.4676","0.0013","72.577","0.002","79.589","0.002","82.204","0.002","1790.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 B10 N4 Zr -","- C32 H44 B10 N4 Zr -","- C64 H88 B20 N8 Zr2 -","2","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates","192113","2020-10-21","18:00:00",""
"4062251","10.78","0.002","11.251","0.003","16.684","0.003","92.23","0.01","91.93","0.01","116.22","0.02","1811","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H48 B10 N4 Zr -","- C31 H48 B10 N4 Zr -","- C62 H96 B20 N8 Zr2 -","2","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192113","2020-10-21","18:00:00",""
"4062252","11.011","0.002","12.093","0.001","20.825","0.004","90","","91.27","0.003","90","","2772.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 B20 O4 Zr2 -","- C46 H72 B20 O4 Zr2 -","- C92 H144 B40 O8 Zr4 -","2","0.5","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192113","2020-10-21","18:00:00",""
"4062253","11.154","0.002","12.477","0.003","20.636","0.004","90","","91.12","0.03","90","","2871.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H72 B20 O6 Si2 Zr2 -","- C38 H56 B20 O4 Si4 Zr2 -","- C76 H112 B40 O8 Si8 Zr4 -","2","0.5","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates","192113","2020-10-21","18:00:00",""
"4062254","11.556","0.001","12.393","0.001","29.481","0.003","90","","102.29","0.004","90","","4125.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 B10 N2 S4 Zr -","- C34 H50 B10 N2 S4 Zr -","- C136 H200 B40 N8 S16 Zr4 -","4","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates","192113","2020-10-21","18:00:00",""
"4062255","10.738","0.0008","16.778","0.001","18.912","0.001","90","","94.114","0.005","90","","3398.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 B10 N2 S4 Si Zr -","- C19 H34 B10 N2 S4 Si Zr -","- C76 H136 B40 N8 S16 Si4 Zr4 -","4","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates","192113","2020-10-21","18:00:00",""
"4062256","11.333","0.002","17.457","0.004","18.333","0.004","90","","92.14","0.03","90","","3624.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 B10 N4 O2 Zr -","- C32 H44 B10 N4 O2 Zr -","- C128 H176 B40 N16 O8 Zr4 -","4","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates","192113","2020-10-21","18:00:00",""
"4062257","11.455","0.003","17.546","0.004","18.394","0.004","90","","92.713","0.005","90","","3692","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 B10 N4 O2 Si Zr -","- C31 H44 B10 N4 O2 Si Zr -","- C124 H176 B40 N16 O8 Si4 Zr4 -","4","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates","192113","2020-10-21","18:00:00",""
"4062258","12.708","0.003","14.3","0.003","14.366","0.003","70.15","0.03","78.06","0.03","79.28","0.03","2383.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H57 B10 N5 O4 Si Zr -","- C42 H57 B10 N5 O4 Si Zr -","- C84 H114 B20 N10 O8 Si2 Zr2 -","2","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates","192113","2020-10-21","18:00:00",""
"4062259","12.738","0.001","16.624","0.001","15.883","0.001","90","","113.164","0.002","90","","3092.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 B10 N3 S Zr -","- C23 H43 B10 N3 S Zr -","- C92 H172 B40 N12 S4 Zr4 -","4","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates","192113","2020-10-21","18:00:00",""
"4062260","8.2128","0.0016","21.496","0.004","17.806","0.004","90","","93.21","0.03","90","","3138.6","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 B10 N3 S Si Zr -","- C22 H43 B10 N3 S Si Zr -","- C88 H172 B40 N12 S4 Si4 Zr4 -","4","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192113","2020-10-21","18:00:00",""
"4062261","11.747","0.001","11.956","0.001","16.297","0.001","98.568","0.002","97.99","0.002","107.332","0.002","2119.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 B10 N4 S2 Zr -","- C28 H52 B10 N4 S2 Zr -","- C56 H104 B20 N8 S4 Zr2 -","2","1","","Wang, Haiping; Li, Hung-Wing; Xie, Zuowei","Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)","Organometallics","2003","22","22","4522","4531","10.1021/om0304255","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192113","2020-10-21","18:00:00",""
"4062262","11.3167","0.0019","12.648","0.002","15.159","0.003","102.501","0.003","92.293","0.003","108.872","0.003","1990.1","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H120 B16 Na2 Nd2 O4 Si8 -","- C48 H120 B16 Na2 Nd2 O4 Si8 -","- C48 H120 B16 Na2 Nd2 O4 Si8 -","1","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three ""Carbons Apart"" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)","Organometallics","2003","22","21","4334","4342","10.1021/om030426x","","","","","","","","","","","","","","","","","","","","","has coordinates","192087","2020-10-21","18:00:00",""
"4062263","11.644","0.002","17.426","0.003","22.031","0.004","90","","92.244","0.004","90","","4467.1","1.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H136 B16 Gd2 Na2 O6 Si8 -","- C56 H136 B16 Gd2 Na2 O6 Si8 -","- C112 H272 B32 Gd4 Na4 O12 Si16 -","2","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three ""Carbons Apart"" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)","Organometallics","2003","22","21","4334","4342","10.1021/om030426x","","","","","","","","","","","","","","","","","","","","","has coordinates","192087","2020-10-21","18:00:00",""
"4062264","12.258","0.004","13.734","0.004","15.028","0.005","93.647","0.005","102.038","0.006","109.365","0.005","2310.2","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H142 B16 Dy2 N4 Na2 O2 Si8 -","- C58 H142 B16 Dy2 N4 Na2 O2 Si8 -","- C58 H142 B16 Dy2 N4 Na2 O2 Si8 -","1","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three ""Carbons Apart"" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)","Organometallics","2003","22","21","4334","4342","10.1021/om030426x","","","","","","","","","","","","","","","","","","","","","has coordinates","192087","2020-10-21","18:00:00",""
"4062265","21.334","0.005","13.359","0.003","27.138","0.006","90","","94.463","0.004","90","","7711","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H108 B16 Ho2 Na2 O4 Si8 -","- C40 H108 B16 Ho2 Na2 O4 Si8 -","- C160 H432 B64 Ho8 Na8 O16 Si32 -","4","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three ""Carbons Apart"" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)","Organometallics","2003","22","21","4334","4342","10.1021/om030426x","","","","","","","","","","","","","","","","","","","","","has coordinates","192087","2020-10-21","18:00:00",""
"4062266","13.933","0.003","17.236","0.004","17.828","0.004","92.569","0.004","98.332","0.004","91.026","0.004","4230.8","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H120 B16 Lu2 Na2 O4 Si8 -","- C48 H120 B16 Lu2 Na2 O4 Si8 -","- C96 H240 B32 Lu4 Na4 O8 Si16 -","2","1","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three ""Carbons Apart"" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)","Organometallics","2003","22","21","4334","4342","10.1021/om030426x","","","","","","","","","","","","","","","","","","","","","has coordinates","286259","2023-09-07","05:56:52",""
"4062267","11.98","0.003","19.16","0.005","26.411","0.007","90","","91.89","0.005","90","","6059","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H89 B12 Dy Na3 Si6 -","- C39 H89 B12 Dy Na3 Si6 -","- C156 H356 B48 Dy4 Na12 Si24 -","4","1","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three ""Carbons Apart"" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)","Organometallics","2003","22","21","4334","4342","10.1021/om030426x","","","","","","","","","","","","","","","","","","","","","has coordinates","192087","2020-10-21","18:00:00",""
"4062268","11.978","0.003","19.115","0.004","26.35","0.006","90","","92.035","0.004","90","","6029","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H89 B12 Er Na3 Si6 -","- C39 H89 B12 Er Na3 Si6 -","- C156 H356 B48 Er4 Na12 Si24 -","4","1","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three ""Carbons Apart"" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)","Organometallics","2003","22","21","4334","4342","10.1021/om030426x","","","","","","","","","","","","","","","","","","","","","has coordinates","192087","2020-10-21","18:00:00",""
"4062270","22.9998","0.0015","14.5902","0.001","17.1371","0.0011","90","","91.669","0.001","90","","5748.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H53 Au B20 Cl3 N P2 -","- C49 H53 Au B20 Cl3 N P2 -","- C196 H212 Au4 B80 Cl12 N4 P8 -","4","1","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Fox, Mark A.; Bautista, Delia","Alkynyl Gold(I) Rigid-Rod Molecules from 1,12-Bis(ethynyl)-1,12-dicarba-closo-dodecaborane(12)","Organometallics","2003","22","23","4792","4797","10.1021/om0304311","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192126","2020-10-21","18:00:00",""
"4062271","13.2942","0.0009","12.0671","0.0013","19.2784","0.0013","90","","105.662","0.005","90","","2977.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Au2 B10 Cl4 O6 P2 -","- C50 H56 Au2 B10 Cl4 O6 P2 -","- C100 H112 Au4 B20 Cl8 O12 P4 -","2","0.5","","Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Fox, Mark A.; Bautista, Delia","Alkynyl Gold(I) Rigid-Rod Molecules from 1,12-Bis(ethynyl)-1,12-dicarba-closo-dodecaborane(12)","Organometallics","2003","22","23","4792","4797","10.1021/om0304311","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192126","2020-10-21","18:00:00",""
"4062274","10.691","0.001","14.99","0.001","19.129","0.001","90","","91.12","0.01","90","","3065","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","chloro-hydrido-pinacolboryl-bis(triisopropylphosphine)rhodium","","","- C24 H55 B Cl O2 P2 Rh -","- C24 H55 B Cl O2 P2 Rh -","- C96 H220 B4 Cl4 O8 P8 Rh4 -","4","1","","Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.","Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)","Organometallics","2003","22","22","4557","4568","10.1021/om030434d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192114","2020-10-21","18:00:00",""
"4062275","10.6365","0.0008","14.9025","0.0012","19.1829","0.0014","90","","90.688","0.004","90","","3040.5","0.4","20","2","20","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","chloro-hydrido-pinacolboryl-bis(triisopropylphosphine)rhodium","","","- C24 H55 B Cl O2 P2 Rh -","- C24 H55 B Cl O2 P2 Rh -","- C96 H220 B4 Cl4 O8 P8 Rh4 -","4","1","","Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.","Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)","Organometallics","2003","22","22","4557","4568","10.1021/om030434d","","","","","","","","","","","","","","","","","","","","","has coordinates","192114","2020-10-21","18:00:00",""
"4062276","11.228","0.003","11.101","0.003","23.414","0.007","90","","102.28","0.04","90","","2851.6","1.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 B Cl O2 P2 Rh -","- C24 H47 B Cl O2 P2 Rh -","- C96 H188 B4 Cl4 O8 P8 Rh4 -","4","1","","Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.","Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)","Organometallics","2003","22","22","4557","4568","10.1021/om030434d","","","","","","","","","","","","","","","","","","","","","has coordinates","192114","2020-10-21","18:00:00",""
"4062277","11.181","0.003","11.05","0.003","23.233","0.007","90","","102.32","0.02","90","","2804.3","1.4","20","2","20","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 B Cl O2 P2 Rh -","- C24 H47 B Cl O2 P2 Rh -","- C96 H188 B4 Cl4 O8 P8 Rh4 -","4","1","","Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.","Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)","Organometallics","2003","22","22","4557","4568","10.1021/om030434d","","","","","","","","","","","","","","","","","","","","","has coordinates","192114","2020-10-21","18:00:00",""
"4062278","10.9519","0.0011","12.084","0.0012","25.473","0.003","90","0.001","90","0.001","90","0.001","3371.2","0.6","163","2","163","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H49 F3 Si -","- C36 H49 F3 Si -","- C144 H196 F12 Si4 -","4","0.5","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062279","35.59","0.03","11.096","0.01","25.75","0.02","90","0.001","96.492","0.017","90","0.001","10104","15","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H74 F2 Li O2 P Si2 -","- C47 H74 F2 Li O2 P Si2 -","- C376 H592 F16 Li8 O16 P8 Si16 -","8","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062280","13.9095","0.0017","15.979","0.002","17.97","0.002","90","0.001","109.335","0.002","90","0.001","3768.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H55 F N Si -","- C42 H55 F N Si -","- C168 H220 F4 N4 Si4 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062281","10.9666","0.001","12.1283","0.001","25.463","0.002","90","0.001","90","0.001","90","0.001","3386.8","0.5","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C18 H25.5 F0.76 I0.14 Si0.36 -","- C18 H25.5 F0.752 Si0.896 -","- C144 H204 F6.016 Si7.168 -","8","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062282","15.9934","0.0009","23.5445","0.0012","11.4333","0.0006","90","0.001","90","0.001","90","0.001","4305.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H67 F2 N Si3 -","- C42 H67 F2 N Si3 -","- C168 H268 F8 N4 Si12 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062283","20.973","0.004","12.496","0.003","27.89","0.006","90","","90","","90","","7309","3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C70 H100 F4 Li2 O4 P2 Si4 -","- C70 H100 F4 Li2 O4 P2 Si4 -","- C280 H400 F16 Li8 O16 P8 Si16 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062284","9.0526","0.0013","11.7904","0.0014","18.551","0.003","98.155","0.004","95.82","0.002","106.658","0.003","1856.6","0.5","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","2","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062285","18.916","0.003","19.462","0.002","34.126","0.005","90","0.001","90","0.001","90","0.001","12563","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H43 F2 N Si3 -","- C30 H43 F2 N Si3 -","- C480 H688 F32 N16 Si48 -","16","2","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062286","10.8296","0.0016","10.1669","0.0015","16.755","0.003","90","0.001","92.497","0.003","90","0.001","1843.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 F3 Si -","- C18 H29 F3 Si -","- C72 H116 F12 Si4 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062287","9.08","0.0011","10.2208","0.0013","23.75","0.003","79.227","0.002","86.878","0.002","63.756","0.002","1941","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H62 F2 Li O3 P Si2 -","- C33 H62 F2 Li O3 P Si2 -","- C66 H124 F4 Li2 O6 P2 Si4 -","2","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062288","11.1825","0.0011","18.9678","0.0019","17.701","0.0017","90","","90","","90","","3754.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H32 F2 Si -","- C19 H32 F2 Si -","- C152 H256 F16 Si8 -","8","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062289","9.7121","0.0014","28.021","0.004","15.778","0.002","90","0.001","90","0.001","90","0.001","4294","1.1","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C39 H65 P2 Si3 -","- C39 H4 P1.996 Si3 -","- C156 H16 P7.984 Si12 -","4","0.5","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192077","2020-10-21","18:00:00",""
"4062290","9.2635","0.001","9.8504","0.0011","11.6103","0.0013","75.059","0.003","78.959","0.003","65.244","0.002","925.32","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H29 P Si -","- C18 H28 P Si -","- C36 H56 P2 Si2 -","2","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192077","2020-10-21","18:00:00",""
"4062291","9.1","0.003","13.557","0.004","10.9","0.003","90","","93.394","0.005","90","","1342.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 O2 Re -","- C15 H19 O2 Re -","- C60 H76 O8 Re4 -","4","1","","Godoy, Fernando; Klahn, A. Hugo; Lahoz, Fernando J.; Balana, Ana I.; Oelckers, Beatriz; Oro, Luis A.","Syntheses and Reactivity of Functionalized (η^5^-Tetramethylcyclopentadienyl) Rhenium Complexes: Molecular Structures of (η^5^:η^2^-C~5~Me~4~CH~2~CH~2~CH=CH~2~)Re(CO)~2~ and (η^5^-C~5~Me~4~CH~2~-2-C~4~H~3~S)Re(CO)~2~(PMe~3~)","Organometallics","2003","22","24","4861","4868","10.1021/om030443m","","","","","","","","","","","","","","","","","","","","","has coordinates","192133","2020-10-21","18:00:00",""
"4062292","10.2133","0.0006","12.0658","0.0007","16.1707","0.0009","90","","90","","90","","1992.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 P Re S -","- C19 H26 O2 P Re S -","- C76 H104 O8 P4 Re4 S4 -","4","1","","Godoy, Fernando; Klahn, A. Hugo; Lahoz, Fernando J.; Balana, Ana I.; Oelckers, Beatriz; Oro, Luis A.","Syntheses and Reactivity of Functionalized (η^5^-Tetramethylcyclopentadienyl) Rhenium Complexes: Molecular Structures of (η^5^:η^2^-C~5~Me~4~CH~2~CH~2~CH=CH~2~)Re(CO)~2~ and (η^5^-C~5~Me~4~CH~2~-2-C~4~H~3~S)Re(CO)~2~(PMe~3~)","Organometallics","2003","22","24","4861","4868","10.1021/om030443m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062293","6.0317","0.0001","20.6003","0.0002","20.667","0.0002","90","","90","","90","","2567.97","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 Fe N2 O3 -","- C31 H34 Fe N2 O3 -","- C124 H136 Fe4 N8 O12 -","4","1","","Muñiz, Kilian; Nieger, Martin","Ferrocenyl-substituted Cinchona Alkaloids: Synthesis, Structure and Application in Asymmetric Catalytic Oxidation","Organometallics","2003","22","22","4616","4619","10.1021/om0304457","","","","","","","","","","","","","","","","","","","","","has coordinates","192117","2020-10-21","18:00:00",""
"4062294","19.0995","0.0003","13.0036","0.0002","10.9698","0.0002","90","","110.033","0.001","90","","2559.64","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H47 Li N4 Ni -","- C21 H47 Li N4 Ni -","- C84 H188 Li4 N16 Ni4 -","4","1","","Alberti, Davide; Goddard, Richard; Rufińska, Anna; Pörschke, Klaus-Richard","π-Allyl Nickelate(II) and Palladate(II) Complexes","Organometallics","2003","22","20","4025","4029","10.1021/om030448j","","","","","","","","","","","","","","","","","","","","","has coordinates","192070","2020-10-21","18:00:00",""
"4062295","14.915","0.002","17.358","0.002","18.286","0.002","90","","90","","90","","4734.2","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H45 Li N4 Ni -","- C19 H45 Li N4 Ni -","- C152 H360 Li8 N32 Ni8 -","8","1","","Alberti, Davide; Goddard, Richard; Rufińska, Anna; Pörschke, Klaus-Richard","π-Allyl Nickelate(II) and Palladate(II) Complexes","Organometallics","2003","22","20","4025","4029","10.1021/om030448j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192070","2020-10-21","18:00:00",""
"4062296","10.6243","0.0009","19.9057","0.0018","14.3919","0.0013","90","","90.972","0.002","90","","3043.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Mg N -","- C16 H23 Mg N -","- C128 H184 Mg8 N8 -","8","2","","Xia, Aibing; Knox, John E.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Synthesis, Structure, and Properties of Magnesocene Amine Adducts. Structural Distortions Arising from N-H···C~5~H~5~^-^ Hydrogen Bonding and Molecular Orbital Calculations Thereof","Organometallics","2003","22","20","4060","4069","10.1021/om030452v","","","","","","","","","","","","","","","","","","","","","has coordinates","192072","2020-10-21","18:00:00",""
"4062297","7.7678","0.0013","7.8924","0.0014","15.083","0.003","79.116","0.003","89.416","0.003","80.735","0.003","896","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 Mg N -","- C20 H25 Mg N -","- C40 H50 Mg2 N2 -","2","1","","Xia, Aibing; Knox, John E.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Synthesis, Structure, and Properties of Magnesocene Amine Adducts. Structural Distortions Arising from N-H···C~5~H~5~^-^ Hydrogen Bonding and Molecular Orbital Calculations Thereof","Organometallics","2003","22","20","4060","4069","10.1021/om030452v","","","","","","","","","","","","","","","","","","","","","has coordinates","192072","2020-10-21","18:00:00",""
"4062298","25.648","0.009","11.527","0.004","16.783","0.005","90","","119.418","0.006","90","","4322","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Mg N2 -","- C24 H28 Mg N2 -","- C192 H224 Mg8 N16 -","8","1","","Xia, Aibing; Knox, John E.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Synthesis, Structure, and Properties of Magnesocene Amine Adducts. Structural Distortions Arising from N-H···C~5~H~5~^-^ Hydrogen Bonding and Molecular Orbital Calculations Thereof","Organometallics","2003","22","20","4060","4069","10.1021/om030452v","","","","","","","","","","","","","","","","","","","","","has coordinates","192072","2020-10-21","18:00:00",""
"4062299","7.654","0.002","10.03","0.003","14.447","0.004","101.584","0.004","94.022","0.004","91.813","0.004","1082.6","0.6","163","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Fe N2 O2 -","- C28 H26 Fe N2 O2 -","- C56 H52 Fe2 N4 O4 -","2","1","","McAdam, C. John; Morgan, Joy L.; Robinson, Brian H.; Simpson, Jim; Rieger, Philip H.; Rieger, Anne L.","Tunable Donor-Acceptor Interactions in 4-Ene/Yne-Ferrocenyl and 4-Enamine Naphthalimides with Ferrocenyl Headgroups","Organometallics","2003","22","24","5126","5136","10.1021/om0304659","","","","","","","","","","","","","","","","","","","","","has coordinates","192063","2020-10-21","18:00:00",""
"4062300","11.352","0.003","11.451","0.003","12.164","0.003","73.045","0.003","65.042","0.003","62.258","0.003","1259.8","0.6","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 Fe2 N O2 -","- C35 H25 Fe2 N O2 -","- C70 H50 Fe4 N2 O4 -","2","1","","McAdam, C. John; Morgan, Joy L.; Robinson, Brian H.; Simpson, Jim; Rieger, Philip H.; Rieger, Anne L.","Tunable Donor-Acceptor Interactions in 4-Ene/Yne-Ferrocenyl and 4-Enamine Naphthalimides with Ferrocenyl Headgroups","Organometallics","2003","22","24","5126","5136","10.1021/om0304659","","","","","","","","","","","","","","","","","","","","","has coordinates","192063","2020-10-21","18:00:00",""
"4062301","15.383","0.002","21.473","0.002","14.5907","0.001","90","","102.942","0.008","90","","4697.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1,5-cyclooctadiene)bromoiridium(I)(mu,sigma,pi-2,4,6-trimethylphenyl)(1,5-cyc","","","- C25 H35 Br Ir2 -","- C25 H35 Br Ir2 -","- C200 H280 Br8 Ir16 -","8","2","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0516","","","0.1187","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062302","7.815","0.002","20.328","0.003","14.534","0.003","90","","105.67","0.02","90","","2223.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1,5-cyclooctadiene)bromoiridium(I)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-cycloo","","","- C24 H33 Br Ir2 -","- C24 H33 Br Ir2 -","- C96 H132 Br4 Ir8 -","4","1","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0415","","","0.1076","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062303","14.1633","0.0011","14.764","0.0011","18.7081","0.0014","90","","90","","90","","3912","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bromodicarbonyliridium(I)(mu,sigma,pi-2,4,6-trimethylphenyl)(1,5-cyclooctadien","","","- C19 H23 Br Ir2 O2 -","- C19 H23 Br Ir2 O2 -","- C152 H184 Br8 Ir16 O16 -","8","1","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0366","","","0.0886","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062304","14.2533","0.0006","14.6197","0.0006","21.3585","0.0008","90","","90","","90","","4450.7","0.3","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dicarbonyl(2,6-dimethylphenyl)iridium(I)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-c","","","- C26 H30 Ir2 O2 -","- C26 H30 Ir2 O2 -","- C208 H240 Ir16 O16 -","8","1","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0232","","","0.0617","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062305","9.1441","0.0003","15.8388","0.0006","15.0766","0.0006","90","","92.599","0.001","90","","2181.32","0.14","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bromodiiododicarbonyliridium(III)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-cyclooct","","","- C18 H21 Br I2 Ir2 O2 -","- C18 H21 Br I2 Ir2 O2 -","- C72 H84 Br4 I8 Ir8 O8 -","4","1","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0376","","","0.0873","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062306","11.183","0.0001","12.377","0.0001","16.4926","0.0002","90","","91.559","0.0006","90","","2281.93","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ru2(dpa)2(CO)4","","","- C24 H16 N6 O4 Ru2 -","- C24 H16 N6 O4 Ru2 -","- C96 H64 N24 O16 Ru8 -","4","1","","Haukka, Matti; Da Costa, Philippe; Luukkanen, Saija","Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with Ruthenium and Osmium Carbonyl Complexes","Organometallics","2003","22","24","5137","5140","10.1021/om030488n","","","","","","","","","","","","","","","","","","","","","has coordinates","192160","2020-10-21","18:00:00",""
"4062307","11.1852","0.0002","12.341","0.0003","16.4673","0.0005","90","","91.915","0.001","90","","2271.82","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Os2(dpa)2(CO)4","","","- C24 H16 N6 O4 Os2 -","- C24 H16 N6 O4 Os2 -","- C96 H64 N24 O16 Os8 -","4","1","","Haukka, Matti; Da Costa, Philippe; Luukkanen, Saija","Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with Ruthenium and Osmium Carbonyl Complexes","Organometallics","2003","22","24","5137","5140","10.1021/om030488n","","","","","","","","","","","","","","","","","","","","","has coordinates","192160","2020-10-21","18:00:00",""
"4062308","7.5913","0.0002","14.0646","0.0004","12.6816","0.0004","90","","90","","90","","1354","0.07","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cis(CO),cis(Cl)-[Ru(Hdpa)(CO)2Cl2]","","","- C12 H9 Cl2 N3 O2 Ru -","- C12 H9 Cl2 N3 O2 Ru -","- C48 H36 Cl8 N12 O8 Ru4 -","4","0.5","","Haukka, Matti; Da Costa, Philippe; Luukkanen, Saija","Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with Ruthenium and Osmium Carbonyl Complexes","Organometallics","2003","22","24","5137","5140","10.1021/om030488n","","","","","","","","","","","","","","","","","","","","","has coordinates","192160","2020-10-21","18:00:00",""
"4062309","8.0211","0.0002","9.2464","0.0002","9.8554","0.0002","115.254","0.001","96.842","0.001","104.325","0.001","619.11","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Os2(dpa)2(CO)4(CH3)2","","","- C26 H22 N6 O4 Os2 -","- C26 H22 N6 O4 Os2 -","- C26 H22 N6 O4 Os2 -","1","0.5","","Haukka, Matti; Da Costa, Philippe; Luukkanen, Saija","Reactions of Bis(2-pyridyl)amine and Its Deprotonated Anion with Ruthenium and Osmium Carbonyl Complexes","Organometallics","2003","22","24","5137","5140","10.1021/om030488n","","","","","","","","","","","","","","","","","","","","","has coordinates","192160","2020-10-21","18:00:00",""
"4062310","7.6864","0.0004","16.4353","0.0008","13.9744","0.0006","90","","102.373","0.003","90","","1724.36","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H20 B Cl Fe O2 -","- C18 H20 B Cl Fe O2 -","- C72 H80 B4 Cl4 Fe4 O8 -","4","2","","Coombs, Deborah L.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Influence of Ligand Steric Bulk in the Synthesis of Transition-Metal Borylene Complexes","Organometallics","2003","22","21","4213","4217","10.1021/om030489f","","","","","","","","","","","","","","","","","","","","","has coordinates","192080","2020-10-21","18:00:00",""
"4062311","9.2733","0.0004","9.2964","0.0005","17.1859","0.0009","104.092","0.002","92.461","0.003","114.425","0.003","1290.96","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 B Fe2 O3 -","- C29 H35 B Fe2 O3 -","- C58 H70 B2 Fe4 O6 -","2","1","","Coombs, Deborah L.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Influence of Ligand Steric Bulk in the Synthesis of Transition-Metal Borylene Complexes","Organometallics","2003","22","21","4213","4217","10.1021/om030489f","","","","","","","","","","","","","","","","","","","","","has coordinates","192080","2020-10-21","18:00:00",""
"4062312","9.0807","0.0001","13.1944","0.0002","22.3339","0.0005","80.788","0.001","79.56","0.001","75.778","0.001","2532.15","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H49 P4 Rh S2 -","- C60 H49 P4 Rh S2 -","- C120 H98 P8 Rh2 S4 -","2","1","","Doux Marjolaine; Mézailles, Nicolas; Ricard, Louis; Le Floch, Pascal","Planar Discrimination in an SPS-Based Rhodium(I) Complex","Organometallics","2003","22","23","4624","4626","10.1021/om0305115","","","","","","","","","","","","","","","","","","","","","has coordinates","192064","2020-10-21","18:00:00",""
"4062313","14.305","0.005","32.88","0.005","13.68","0.005","90","","115.3","0.005","90","","5817","3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H61 O1.5 P4 Rh S4 -","- C61 H49 P4 Rh S4 -","- C244 H196 P16 Rh4 S16 -","4","1","","Doux Marjolaine; Mézailles, Nicolas; Ricard, Louis; Le Floch, Pascal","Planar Discrimination in an SPS-Based Rhodium(I) Complex","Organometallics","2003","22","23","4624","4626","10.1021/om0305115","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192064","2020-10-21","18:00:00",""
"4062314","17.0613","0.0009","8.9094","0.0005","17.7984","0.0012","90","","106.115","0.005","90","","2599.2","0.3","373","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 O10 Si W2 -","- C22 H10 O10 Si W2 -","- C88 H40 O40 Si4 W8 -","4","1","","Ga̧dek, Agnieszka; Kochel, Andrzej; Szymańska-Buzar, Teresa","Synthesis, Spectroscopic Characteristics, and Crystal Structure of μ-Diphenylsilylene(decacarbonyl)ditungsten Complex (μ-SiPh2)W2(CO)10}","Organometallics","2003","22","24","4869","4872","10.1021/om030512x","","","","","","","","","","","","","","","","","","","","","has coordinates","192065","2020-10-21","18:00:00",""
"4062322","11.4458","0.0009","12.5768","0.001","16.2774","0.0013","99.443","0.002","90.387","0.002","94.486","0.002","2303.9","0.3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C45.5 H49 Cl5 N4 Pd -","- C45.5 H49 Cl5 N4 Pd -","- C91 H98 Cl10 N8 Pd2 -","2","2","","Bonnet, Ludovic G.; Douthwaite, Richard E.; Hodgson, Richard","Synthesis of Constrained-Geometry Chiral Di-N-Heterocyclic Carbene Ligands and Their Silver(I) and Palladium(II) Complexes","Organometallics","2003","22","22","4384","4386","10.1021/om030527v","","","","","","","","","","","","","","","","","","","","","has coordinates","192090","2020-10-21","18:00:00",""
"4062323","13.6263","0.0013","14.8776","0.0012","15.6942","0.0014","90","","91.191","0.006","90","","3180.9","0.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H33 Cl Fe O P2 Ru -","- C38 H33 Cl Fe O P2 Ru -","- C152 H132 Cl4 Fe4 O4 P8 Ru4 -","4","0.5","","Cadierno, Victorio; Crochet, Pascale; Díez, Josefina; García-Garrido, Sergio E.; Gimeno, José","An Easy Entry to Dimers [{RuX(μ-X)(CO)(P⌒P)}2] (X = Cl, Br; P⌒P = 1,1‘-Bis(diphenylphosphino)ferrocene, 1,1‘-Bis(diisopropylphosphino)ferrocene) from η^3^-Allyl-Ruthenium(II) Derivatives [RuX(η^3^-2-C3H4R)(CO)(P⌒P)] (R = H, Me): Efficient Catalyst Precursors in Transfer Hydrogenation of Ketones","Organometallics","2003","22","25","5226","5234","10.1021/om030530e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178519","2020-10-21","18:00:00",""
"4062324","12.3336","0.0007","12.7635","0.0007","13.2492","0.0008","90.154","0.004","103.397","0.003","113.446","0.003","1850.86","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H64 Cl12 Fe2 O2 P4 Ru2 -","- C74 H64 Cl12 Fe2 O2 P4 Ru2 -","- C74 H64 Cl12 Fe2 O2 P4 Ru2 -","1","0.5","","Cadierno, Victorio; Crochet, Pascale; Díez, Josefina; García-Garrido, Sergio E.; Gimeno, José","An Easy Entry to Dimers [{RuX(μ-X)(CO)(P⌒P)}2] (X = Cl, Br; P⌒P = 1,1‘-Bis(diphenylphosphino)ferrocene, 1,1‘-Bis(diisopropylphosphino)ferrocene) from η^3^-Allyl-Ruthenium(II) Derivatives [RuX(η^3^-2-C3H4R)(CO)(P⌒P)] (R = H, Me): Efficient Catalyst Precursors in Transfer Hydrogenation of Ketones","Organometallics","2003","22","25","5226","5234","10.1021/om030530e","","","","","","","","","","","","","","","","","","","","","has coordinates","133623","2020-10-21","18:00:00",""
"4062326","9.8225","0.0016","13.373","0.002","14.254","0.002","65.3","0.03","76.17","0.03","72.61","0.03","1609.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 I P2 Pt -","- C40 H33 I P2 Pt -","- C80 H66 I2 P4 Pt2 -","2","1","","Gracia, Cecilia; Marco, Gema; Navarro, Rafael; Romero, Pilar; Soler, Tatiana; Urriolabeitia, Esteban P.","C-P and C-H Bond Activations and C-C Coupling in Bis-Phosphonium Salts Induced by Platinum(II) Complexes","Organometallics","2003","22","24","4910","4921","10.1021/om0305465","","","","","","","","","","","","","","","","","","","","","has coordinates","192136","2020-10-21","18:00:00",""
"4062327","9.9831","0.0009","12.2541","0.0011","17.9378","0.0016","72.174","0.001","88.082","0.002","72.854","0.001","1992.3","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Cl4 I2 P2 Pt -","- C41 H34 Cl4 I2 P2 Pt -","- C82 H68 Cl8 I4 P4 Pt2 -","2","1","","Gracia, Cecilia; Marco, Gema; Navarro, Rafael; Romero, Pilar; Soler, Tatiana; Urriolabeitia, Esteban P.","C-P and C-H Bond Activations and C-C Coupling in Bis-Phosphonium Salts Induced by Platinum(II) Complexes","Organometallics","2003","22","24","4910","4921","10.1021/om0305465","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062328","14.7449","0.0009","12.1939","0.0012","19.2477","0.0014","90","","100.321","0.005","90","","3404.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N6 O P Ru S3 -","- C31 H32 B N6 O P Ru S3 -","- C124 H128 B4 N24 O4 P4 Ru4 S12 -","4","1","","Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.","Polyazolyl Chelate Chemistry. 12. An Unusual Mode of Coordination for the Hydrotris(methimazolyl)borato Ligand","Organometallics","2003","22","22","4446","4450","10.1021/om030550g","","","","","","","0.0452","","","0.082","","","","","","","","","","","has coordinates","192096","2020-10-21","18:00:00",""
"4062329","9.3401","0.0009","26.357","0.002","15.039","0.002","90","","94.602","0.01","90","","3690.5","0.7","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B Cl2 N6 O P Ru S3 -","- C32 H34 B Cl2 N6 O P Ru S3 -","- C128 H136 B4 Cl8 N24 O4 P4 Ru4 S12 -","4","1","","Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.","Polyazolyl Chelate Chemistry. 12. An Unusual Mode of Coordination for the Hydrotris(methimazolyl)borato Ligand","Organometallics","2003","22","22","4446","4450","10.1021/om030550g","","","","","","","0.0421","","","0.0915","","","","","","","","","","","has coordinates,has disorder","192096","2020-10-21","18:00:00",""
"4062330","10.1877","0.0005","12.7453","0.0006","20.2496","0.001","90","","91.182","0.001","90","","2628.8","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 B N7 O P W -","- C24 H31 B N7 O P W -","- C96 H124 B4 N28 O4 P4 W4 -","4","1","","Graham, Peter M.; Meiere, Scott H.; Sabat, Michal; Harman, W. Dean","Dearomatization of Benzene, Deamidization of N,N-Dimethylformamide, and a Versatile New Tungsten π Base","Organometallics","2003","22","22","4364","4366","10.1021/om030560h","","","","","","","","","","","","","","","","","","","","","has coordinates","192088","2020-10-21","18:00:00",""
"4062331","14.876","0.001","18.581","0.001","15.385","0.001","90","","93.154","0.002","90","","4246.3","0.5","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 B N8 O2 P W -","- C15 H26 B N8 O2 P W -","- C120 H208 B8 N64 O16 P8 W8 -","8","2","","Graham, Peter M.; Meiere, Scott H.; Sabat, Michal; Harman, W. Dean","Dearomatization of Benzene, Deamidization of N,N-Dimethylformamide, and a Versatile New Tungsten π Base","Organometallics","2003","22","22","4364","4366","10.1021/om030560h","","","","","","","","","","","","","","","","","","","","","has coordinates","192088","2020-10-21","18:00:00",""
"4062332","12.987","0.0003","32.293","0.0007","11.879","0.0002","90","","101.783","0.001","90","","4876.94","0.17","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H90 Si7 -","- C38 H90 Si7 -","- C152 H360 Si28 -","4","1","","Ichinohe, Masaaki; Kinjo, Rei; Sekiguchi, Akira","The First Stable Methyl-Substituted Disilene: Synthesis, Crystal Structure, and Regiospecific MeLi Addition","Organometallics","2003","22","23","4621","4623","10.1021/om030571a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062333","11.516","0.0016","13.485","0.0011","21.632","0.003","90","","96.276","0.007","90","","3339.2","0.7","120","0.1","120","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C55 H125 Li O4 Si7 -","- C55 H125 Li O4 Si7 -","- C110 H250 Li2 O8 Si14 -","2","1","","Ichinohe, Masaaki; Kinjo, Rei; Sekiguchi, Akira","The First Stable Methyl-Substituted Disilene: Synthesis, Crystal Structure, and Regiospecific MeLi Addition","Organometallics","2003","22","23","4621","4623","10.1021/om030571a","","","","","","","","","","","","","","","","","","","","","has coordinates","192118","2020-10-21","18:00:00",""
"4062334","7.7165","0.0001","11.282","0.0002","11.5188","0.0002","92.328","0.001","105.206","0.001","95.12","0.001","961.69","0.03","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Au2 P2 S2 -","- C22 H18 Au P S -","- C44 H36 Au2 P2 S2 -","2","1","","Porter, Keith A.; Schier, Annette; Schmidbaur, Hubert","Auration of Thiophene and Furan: Structures of the 2-Mono- and 2,2-Diaurated Products","Organometallics","2003","22","24","4922","4927","10.1021/om030575f","","","","","","","","","","","","","","","","","","","","","has coordinates","192137","2020-10-21","18:00:00",""
"4062335","7.3914","0.0001","11.2957","0.0002","11.4679","0.0002","91.282","0.001","93.823","0.001","103.301","0.001","929.01","0.03","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Au O P -","- C22 H18 Au O P -","- C44 H36 Au2 O2 P2 -","2","1","","Porter, Keith A.; Schier, Annette; Schmidbaur, Hubert","Auration of Thiophene and Furan: Structures of the 2-Mono- and 2,2-Diaurated Products","Organometallics","2003","22","24","4922","4927","10.1021/om030575f","","","","","","","","","","","","","","","","","","","","","has coordinates","192137","2020-10-21","18:00:00",""
"4062336","7.3555","0.0001","11.3778","0.0002","11.6508","0.0002","91.87","0.001","93.605","0.001","102.582","0.001","948.67","0.03","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 As Au O -","- C22 H18 As Au O -","- C44 H36 As2 Au2 O2 -","2","1","","Porter, Keith A.; Schier, Annette; Schmidbaur, Hubert","Auration of Thiophene and Furan: Structures of the 2-Mono- and 2,2-Diaurated Products","Organometallics","2003","22","24","4922","4927","10.1021/om030575f","","","","","","","","","","","","","","","","","","","","","has coordinates","192137","2020-10-21","18:00:00",""
"4062337","9.742","0.0002","14.6798","0.0004","15.5339","0.0004","69.96","0.001","84.387","0.001","73.773","0.002","2003.86","0.09","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C40.5 H34 Au2 B Cl F4 P2 S -","- C40.5 H34 Au2 B Cl F4 P2 S -","- C81 H68 Au4 B2 Cl2 F8 P4 S2 -","2","1","","Porter, Keith A.; Schier, Annette; Schmidbaur, Hubert","Auration of Thiophene and Furan: Structures of the 2-Mono- and 2,2-Diaurated Products","Organometallics","2003","22","24","4922","4927","10.1021/om030575f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192137","2020-10-21","18:00:00",""
"4062338","17.3338","0.0002","21.1912","0.0002","9.9489","0.0001","90","","90","","90","","3654.47","0.07","143","2","143","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C40 H33 Au2 B F4 O P2 -","- C40 H33 Au2 B F4 O P2 -","- C160 H132 Au8 B4 F16 O4 P8 -","4","0.5","","Porter, Keith A.; Schier, Annette; Schmidbaur, Hubert","Auration of Thiophene and Furan: Structures of the 2-Mono- and 2,2-Diaurated Products","Organometallics","2003","22","24","4922","4927","10.1021/om030575f","","","","","","","","","","","","","","","","","","","","","has coordinates","192137","2020-10-21","18:00:00",""
"4062347","11.212","0.001","15.102","0.001","17.669","0.001","90","","106.38","0.01","90","","2870.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 P Ru Si2 -","- C30 H39 P Ru Si2 -","- C120 H156 P4 Ru4 Si8 -","4","1","","Burgio, James; Yardy, Nicholas M.; Petersen, Jeffrey L.; Lemke, Frederick R.","Facile Synthesis and Structures of η^6^-Arene Bis(silyl) Complexes of Ruthenium(II): (η^6^-arene)Ru(PPh~3~)(SiX~3~)~2~","Organometallics","2003","22","24","4928","4932","10.1021/om034009w","","","","","","","0.0367","","","0.0638","","","","","","","","","","","has coordinates","192140","2020-10-21","18:00:00",""
"4062348","18.7214","0.0011","12.5845","0.0007","11.5291","0.0006","90","","90","","90","","2716.2","0.3","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H21 Cl6 P Ru Si2 -","- C24 H21 Cl6 P Ru Si2 -","- C96 H84 Cl24 P4 Ru4 Si8 -","4","1","","Burgio, James; Yardy, Nicholas M.; Petersen, Jeffrey L.; Lemke, Frederick R.","Facile Synthesis and Structures of η^6^-Arene Bis(silyl) Complexes of Ruthenium(II): (η^6^-arene)Ru(PPh~3~)(SiX~3~)~2~","Organometallics","2003","22","24","4928","4932","10.1021/om034009w","","","","","","","","","","","","","","","","","","","","","has coordinates","192140","2020-10-21","18:00:00",""
"4062349","19.102","0.004","12.639","0.003","11.546","0.002","90","","90","","90","","2787.6","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H27 Cl4 P Ru Si2 -","- C26 H27 Cl4 P Ru Si2 -","- C104 H108 Cl16 P4 Ru4 Si8 -","4","1","","Burgio, James; Yardy, Nicholas M.; Petersen, Jeffrey L.; Lemke, Frederick R.","Facile Synthesis and Structures of η^6^-Arene Bis(silyl) Complexes of Ruthenium(II): (η^6^-arene)Ru(PPh~3~)(SiX~3~)~2~","Organometallics","2003","22","24","4928","4932","10.1021/om034009w","","","","","","","0.034","","","0.0668","","","","","","","","","","","has coordinates","192140","2020-10-21","18:00:00",""
"4062350","8.7633","0.0006","7.8939","0.0006","38.657","0.003","90","","90","","90","","2674.2","0.3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 B N4 Na O2 -","- C12 H15 B N Na O2 -","- C96 H120 B8 N8 Na8 O16 -","8","1","","Ramírez-López, Pedro; Sierra, Miguel A.; Gómez-Gallego, Mar; Mancheño, María José; Gornitzka, Heinz","New Reactivity Modes of Chromium(0) Fischer Carbene Complexes: Unprecedented Insertion of a Carbene Ligand into an Active B-H Bond","Organometallics","2003","22","24","5092","5099","10.1021/om034010v","","","","","","","","","","","","","","","","","","","","","has coordinates","192156","2020-10-21","18:00:00",""
"4062351","17.173","0.004","17.134","0.004","17.322","0.004","90","","90","","90","","5097","2","220","2","220","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl2 Fe P2 Zn -","- C22 H36 Cl2 Fe P2 Zn -","- C176 H288 Cl16 Fe8 P16 Zn8 -","8","1","","Ong, Joyce H. L.; Nataro, Chip; Golen, James A.; Rheingold, Arnold L.","Electrochemistry of Late Transition Metal Complexes Containing the Ligand 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)","Organometallics","2003","22","24","5027","5032","10.1021/om0340138","","","","","","","","","","","","","","","","","","","","","has coordinates","192154","2020-10-21","18:00:00",""
"4062352","16.0504","0.0016","16.9112","0.0018","8.8811","0.001","90","","90","","90","","2410.6","0.4","220","2","220","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C22 H36 Cl2 Fe P2 Pt -","- C22 H36 Cl2 Fe P2 Pt -","- C88 H144 Cl8 Fe4 P8 Pt4 -","4","0.5","","Ong, Joyce H. L.; Nataro, Chip; Golen, James A.; Rheingold, Arnold L.","Electrochemistry of Late Transition Metal Complexes Containing the Ligand 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)","Organometallics","2003","22","24","5027","5032","10.1021/om0340138","","","","","","","","","","","","","","","","","","","","","has coordinates","192154","2020-10-21","18:00:00",""
"4062353","12.304","0.009","8.857","0.003","13.94","0.01","90","","109.5","0.03","90","","1432","1.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 Sn -","- C14 H14 N2 O4 Sn -","- C56 H56 N8 O16 Sn4 -","4","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062354","12.486","0.004","9.035","0.003","17.752","0.007","90","","95.86","0.03","90","","1992.3","1.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O4 Sn -","- C20 H26 N2 O4 Sn -","- C80 H104 N8 O16 Sn4 -","4","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062355","9.232","0.005","14.168","0.004","15.866","0.004","90","","98.97","0.03","90","","2050","1","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H26 N2 O4 Sn -","- C20 H26 N2 O4 Sn -","- C80 H104 N8 O16 Sn4 -","4","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062359","15.869","0.004","15.869","","16.679","0.002","90","","90","","90","","4200.2","0.8","173","","173","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H18 N2 O4 Sn -","- C24 H18 N2 O4 Sn -","- C192 H144 N16 O32 Sn8 -","8","0.5","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062360","9.754","0.003","19.473","0.002","13.379","0.002","90","","94","0.02","90","","2535","0.9","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 N2 O6 Sn -","- C25 H36 N2 O6 Sn -","- C100 H144 N8 O24 Sn4 -","4","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062361","20.06","0.009","14.878","0.003","13.278","0.002","90","","90","","90","","3963","2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O4 Sn -","- C22 H18 N2 O4 Sn -","- C176 H144 N16 O32 Sn8 -","8","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062362","17.827","0.008","38.485","0.007","15.181","0.003","90","","90","","90","","10415","5","173.2","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N2 O4 Sn -","- C28 H30 N2 O4 Sn -","- C448 H480 N32 O64 Sn16 -","16","2","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062363","10.135","0.006","15.315","0.002","18.251","0.009","90","","100.02","0.06","90","","2790","2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N2 O4 Sn -","- C32 H34 N2 O4 Sn -","- C128 H136 N8 O16 Sn4 -","4","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062364","10.8443","0.0005","14.2778","0.0008","19.3782","0.001","90","","102.679","0.001","90","","2927.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Cl N2 Ru -","- C31 H41 Cl N2 Ru -","- C124 H164 Cl4 N8 Ru4 -","4","1","","Hillier, Anna C.; Sommer, William J.; Yong, Ben S.; Petersen, Jeffrey L.; Cavallo, Luigi; Nolan, Steven P.","A Combined Experimental and Theoretical Study Examining the Binding of N-Heterocyclic Carbenes (NHC) to the Cp*RuCl (Cp* = η^5^-C~5~Me~5~) Moiety: Insight into Stereoelectronic Differences between Unsaturated and Saturated NHC Ligands","Organometallics","2003","22","21","4322","4326","10.1021/om034016k","","","","","","","","","","","","","","","","","","","","","has coordinates","192086","2020-10-21","18:00:00",""
"4062365","12.225","0.0012","31.338","0.003","10.5834","0.001","90","","93.469","0.002","90","","4047.1","0.7","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H65 Cl N2 Ru -","- C42 H65 Cl N2 Ru -","- C168 H260 Cl4 N8 Ru4 -","4","1","","Hillier, Anna C.; Sommer, William J.; Yong, Ben S.; Petersen, Jeffrey L.; Cavallo, Luigi; Nolan, Steven P.","A Combined Experimental and Theoretical Study Examining the Binding of N-Heterocyclic Carbenes (NHC) to the Cp*RuCl (Cp* = η^5^-C~5~Me~5~) Moiety: Insight into Stereoelectronic Differences between Unsaturated and Saturated NHC Ligands","Organometallics","2003","22","21","4322","4326","10.1021/om034016k","","","","","","","","","","","","","","","","","","","","","has coordinates","192086","2020-10-21","18:00:00",""
"4062366","28.403","0.005","12.835","0.002","27.879","0.005","90","","117.82","0.003","90","","8989","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H136 B16 Cl2 Ho4 O7 Si8 -","- C56 H136 B16 Cl2 Ho4 O7 Si8 -","- C224 H544 B64 Cl8 Ho16 O28 Si32 -","4","0.5","","Wang, Jianhui; Li, Shoujian; Zheng, Chong; Hosmane, Narayan S.; Maguire, John A.; Roesky, Herbert W.; Cummins, Christopher C.; Kaim, Wolfgang","An Oxide Ion Encapsulating Tetraholmium Tetrahedron Stabilized by Complexation with the ""Carbons Apart"" C2B4-Carborane Ligands","Organometallics","2003","22","22","4390","4392","10.1021/om034019x","","","","","","","","","","","","","","","","","","","","","has coordinates","192092","2020-10-21","18:00:00",""
"4062367","9.0651","0.001","13.5202","0.0014","14.6174","0.0016","90","","105.184","0.002","90","","1729","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 I2 N4 O2 Rh -","- C12 H19 I2 N4 O2 Rh -","- C48 H76 I8 N16 O8 Rh4 -","4","0.5","","Martin, Helen C.; James, Neil H.; Aitken, John; Gaunt, Joseph A.; Adams, Harry; Haynes, Anthony","Oxidative Addition of MeI to a Rhodium(I) N-Heterocyclic Carbene Complex. A Kinetic Study","Organometallics","2003","22","22","4451","4458","10.1021/om034022g","","","","","","","","","","","","","","","","","","","","","has coordinates","192097","2020-10-21","18:00:00",""
"4062368","11.8166","0.0001","11.9664","0.0001","17.0426","0.0002","90","","90","","90","","2409.86","0.04","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O11 Ru3 -","- C17 H15 N3 O11 Ru3 -","- C68 H60 N12 O44 Ru12 -","4","1","","Liu, Yu-Chiao; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming","One-Step Synthesis of [HM~3~(CO)~11~]-from M~3~(CO)~12~ (M = Fe, Ru, Os) via Unusual Hydride Transfer from 1,3,5-Trimethyl-1,3,5-triazacyclohexane","Organometallics","2003","22","20","4163","4166","10.1021/om034027d","","","","","","","","","","","","","","","","","","","","","has coordinates","192078","2020-10-21","18:00:00",""
"4062369","9.8983","0.0003","12.739","0.0004","14.5342","0.0005","88.345","0.001","89.073","0.001","89.957","0.001","1831.68","0.1","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N2 O9 Os3 -","- C12 H8 N2 O9 Os3 -","- C48 H32 N8 O36 Os12 -","4","2","","Liu, Yu-Chiao; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming","One-Step Synthesis of [HM~3~(CO)~11~]-from M~3~(CO)~12~ (M = Fe, Ru, Os) via Unusual Hydride Transfer from 1,3,5-Trimethyl-1,3,5-triazacyclohexane","Organometallics","2003","22","20","4163","4166","10.1021/om034027d","","","","","","","","","","","","","","","","","","","","","has coordinates","192078","2020-10-21","18:00:00",""
"4062370","17.148","0.0002","11.0161","0.0002","22.1596","0.0004","90","","90.4755","0.0008","90","","4185.9","0.12","298","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C31 H40 Cr3 N2 O15 Te -","- C31 H40 Cr3 N1.5 O15 Te -","- C124 H160 Cr12 N6 O60 Te4 -","4","1","","Shieh, Minghuey; Ho, Li-Fang; Guo, Yu-Wen; Lin, Shu-Fen; Lin, Yi-Chun; Peng, Shie-Ming; Liu, Yi-Hung","Carbonylchromium Monotelluride Complexes [Et~4~N]~2~[Te{Cr(CO)~5~}~n~] (n = 2, 3): Two Important Intermediates","Organometallics","2003","22","24","5020","5026","10.1021/om034033+","","","","","","","","","","","","","","","","","","","","","has coordinates","192151","2020-10-21","18:00:00",""
"4062371","9.62","0.007","10.506","0.004","17.325","0.005","79.61","0.03","84.25","0.04","80.6","0.04","1694.7","1.6","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Cr2 N2 O10 Te -","- C26 H40 Cr2 N2 O10 Te -","- C52 H80 Cr4 N4 O20 Te2 -","2","1","","Shieh, Minghuey; Ho, Li-Fang; Guo, Yu-Wen; Lin, Shu-Fen; Lin, Yi-Chun; Peng, Shie-Ming; Liu, Yi-Hung","Carbonylchromium Monotelluride Complexes [Et~4~N]~2~[Te{Cr(CO)~5~}~n~] (n = 2, 3): Two Important Intermediates","Organometallics","2003","22","24","5020","5026","10.1021/om034033+","","","","","","","0.045","","","0.039","","","","","","","","","","","has coordinates","192151","2020-10-21","18:00:00",""
"4062372","23.2861","0.0003","7.6958","0.0001","29.365","","90","","90","","90","","5262.29","0.1","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cr4 N2 O20 Te2 -","- C38 H46 Cr4 N2 O20 Te2 -","- C152 H184 Cr16 N8 O80 Te8 -","4","1","","Shieh, Minghuey; Ho, Li-Fang; Guo, Yu-Wen; Lin, Shu-Fen; Lin, Yi-Chun; Peng, Shie-Ming; Liu, Yi-Hung","Carbonylchromium Monotelluride Complexes [Et~4~N]~2~[Te{Cr(CO)~5~}~n~] (n = 2, 3): Two Important Intermediates","Organometallics","2003","22","24","5020","5026","10.1021/om034033+","","","","","","","0.0422","","","0.0946","","","","","","","","","","","has coordinates","192151","2020-10-21","18:00:00",""
"4062373","11.7836","0.0001","35.3745","0.0001","51.5251","0.0006","90","","90","","90","","21477.7","0.3","295","2","295","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C37 H42 Cr4 N2 O20 Te2 -","- C37 H42 Cr4 N2 O20 Te2 -","- C592 H672 Cr64 N32 O320 Te32 -","16","0.5","","Shieh, Minghuey; Ho, Li-Fang; Guo, Yu-Wen; Lin, Shu-Fen; Lin, Yi-Chun; Peng, Shie-Ming; Liu, Yi-Hung","Carbonylchromium Monotelluride Complexes [Et~4~N]~2~[Te{Cr(CO)~5~}~n~] (n = 2, 3): Two Important Intermediates","Organometallics","2003","22","24","5020","5026","10.1021/om034033+","","","","","","","0.0261","","","0.0706","","","","","","","","","","","has coordinates","192151","2020-10-21","18:00:00",""
"4062378","11.914","0.003","12.596","0.004","15.042","0.004","83.656","0.006","86.246","0.006","64.511","0.006","2024.7","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.25 H52 B Cl N6 Ni O1.25 -","- C36 H40 B Cl N6 Ni -","- C72 H80 B2 Cl2 N12 Ni2 -","2","1","","Kunrath, Fábio A.; de Souza, Roberto F.; Casagrande, Jr., Osvaldo L.; Brooks, Neil R.; Young, Victor G.","Highly Selective Nickel Ethylene Oligomerization Catalysts Based on Sterically Hindered Tris(pyrazolyl)borate Ligands","Organometallics","2003","22","23","4739","4743","10.1021/om034035u","","","","","","","","","","","","","","","","","","","","","has coordinates","192124","2020-10-21","18:00:00",""
"4062379","9.1756","0.001","10.9562","0.0012","17.497","0.002","102.601","0.002","97.437","0.002","95.017","0.002","1690","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H40 B Cl N6 Ni -","- C36 H40 B Cl N6 Ni -","- C72 H80 B2 Cl2 N12 Ni2 -","2","2","","Kunrath, Fábio A.; de Souza, Roberto F.; Casagrande, Jr., Osvaldo L.; Brooks, Neil R.; Young, Victor G.","Highly Selective Nickel Ethylene Oligomerization Catalysts Based on Sterically Hindered Tris(pyrazolyl)borate Ligands","Organometallics","2003","22","23","4739","4743","10.1021/om034035u","","","","","","","","","","","","","","","","","","","","","has coordinates","192124","2020-10-21","18:00:00",""
"4062380","17.3441","0.0002","13.4557","0.0001","18.4594","0.0002","90","","90","","90","","4308","0.08","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H10 F6 N6 O2 Ru -","- C20 H10 F6 N6 O2 Ru -","- C160 H80 F48 N48 O16 Ru8 -","8","1","","Wu, Pei-Chi; Yu, Jen-Kan; Song, Yi-Hwa; Chi, Yun; Chou, Pi-Tai; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and Characterization of Metal Complexes Possessing the 5-(2-Pyridyl) Pyrazolate Ligands: The Observation of Remarkable Osmium-Induced Blue Phosphorescence in Solution at Room Temperature","Organometallics","2003","22","24","4938","4946","10.1021/om034037e","","","","","","","","","","","","","","","","","","","","","has coordinates","192142","2020-10-21","18:00:00",""
"4062381","13.2724","0.0007","13.5524","0.0007","12.9716","0.0007","90","","109.229","0.0012","90","","2203.1","0.2","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H10 F6 N6 O2 Os -","- C20 H10 F6 N6 O2 Os -","- C80 H40 F24 N24 O8 Os4 -","4","1","","Wu, Pei-Chi; Yu, Jen-Kan; Song, Yi-Hwa; Chi, Yun; Chou, Pi-Tai; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and Characterization of Metal Complexes Possessing the 5-(2-Pyridyl) Pyrazolate Ligands: The Observation of Remarkable Osmium-Induced Blue Phosphorescence in Solution at Room Temperature","Organometallics","2003","22","24","4938","4946","10.1021/om034037e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192142","2020-10-21","18:00:00",""
"4062382","9.098","0.003","14.337","0.005","9.71","0.003","90","","117.384","0.005","90","","1124.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H18 Mo2 N0 O6 Si -","- C21 H18 Mo2 O6 Si -","- C42 H36 Mo4 O12 Si2 -","2","0.5","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","","","","","","","","","","","","","","","","","","","has coordinates","192131","2020-10-21","18:00:00",""
"4062383","9.54","0.004","10.366","0.005","11.167","0.005","101.693","0.007","93.921","0.007","92.578","0.008","1077","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 O6 Si W2 -","- C21 H18 O6 Si W2 -","- C42 H36 O12 Si2 W4 -","2","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","","","","","","","","","","","","","","","","","","","has coordinates","192131","2020-10-21","18:00:00",""
"4062384","8.7841","0.001","32.094","0.004","16.5738","0.0019","90","","104.775","0.002","90","","4518","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[2,4,6-Me3NN]Ni(NO)","","","- C23 H29 N3 Ni O -","- C23 H29 N3 Ni O -","- C184 H232 N24 Ni8 O8 -","8","2","","Puiu, Simona C.; Warren, Timothy H.","Three-Coordinate β-Diketiminato Nickel Nitrosyl Complexes from Nickel(I)-Lutidine and Nickel(II)-Alkyl Precursors","Organometallics","2003","22","20","3974","3976","10.1021/om034041q","","","","","","","","","","","","","","","","","","","","","has coordinates","192059","2020-10-21","18:00:00",""
"4062385","7.1946","0.0006","28.514","0.002","11.0223","0.0009","90","","103.443","0.002","90","","2199.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Me2NN]Ni(h2-O2N2Et)","","","- C23 H30 N4 Ni O2 -","- C23 H30 N4 Ni O2 -","- C92 H120 N16 Ni4 O8 -","4","1","","Puiu, Simona C.; Warren, Timothy H.","Three-Coordinate β-Diketiminato Nickel Nitrosyl Complexes from Nickel(I)-Lutidine and Nickel(II)-Alkyl Precursors","Organometallics","2003","22","20","3974","3976","10.1021/om034041q","","","","","","","","","","","","","","","","","","","","","has coordinates","192059","2020-10-21","18:00:00",""
"4062386","30.543","0.002","9.537","0.001","16.588","0.002","90","","112.41","0.02","90","","4467","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 Cl2 O3 Ti -","- C21 H28 Cl2 O3 Ti -","- C168 H224 Cl16 O24 Ti8 -","8","1","","Arévalo, Silvia; de Jesús, Ernesto; de la Mata, F. Javier; Flores, Juan C.; Gómez, Rafael; Gómez-Sal, M. Pilar; Ortega, Paula; Vigo, Susana","Synthesis of Aryloxo Cyclopentadienyl Group 4 Metal-Containing Dendrimers","Organometallics","2003","22","24","5109","5113","10.1021/om034042i","","","","","","","","","","","","","","","","","","","","","has coordinates","192159","2020-10-21","18:00:00",""
"4062387","10.0717","0.0013","11.1738","0.0014","12.277","0.0016","84.404","0.002","70.367","0.002","86.082","0.002","1294.2","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H41 N O6 Si2 Sr -","- C18 H41 N O6 Si2 Sr -","- C36 H82 N2 O12 Si4 Sr2 -","2","1","","Alexander, Jacob S.; Ruhlandt-Senge, Karin; Hope, Håkon","Synthesis and Preparation of Alkaline-Earth-Metal Triphenylmethanides M(CPh~3~)~2~(18-crown-6)(HMPA)~2~ and the Ether Scission Products [M(C~12~H~23~O~6~)(N(SiMe~3~)~2~)]~2~ (M = Sr, Ba)","Organometallics","2003","22","24","4933","4937","10.1021/om034043a","","","","","","","","","","","","","","","","","","","","","has coordinates","192058","2020-10-21","18:00:00",""
"4062388","12.9225","0.001","21.0331","0.0017","13.2066","0.001","90","","100.439","0.002","90","","3530.1","0.5","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H106 N6 O10 P2 Sr -","- C70 H106 N6 O9.996 P2 Sr -","- C140 H212 N12 O19.992 P4 Sr2 -","2","0.5","","Alexander, Jacob S.; Ruhlandt-Senge, Karin; Hope, Håkon","Synthesis and Preparation of Alkaline-Earth-Metal Triphenylmethanides M(CPh~3~)~2~(18-crown-6)(HMPA)~2~ and the Ether Scission Products [M(C~12~H~23~O~6~)(N(SiMe~3~)~2~)]~2~ (M = Sr, Ba)","Organometallics","2003","22","24","4933","4937","10.1021/om034043a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192058","2020-10-21","18:00:00",""
"4062389","12.739","0.004","15.984","0.006","8.96","0.003","90","","90","","90","","1824","1","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 N4 Zr -","- C14 H28 Cl2 N4 Zr -","- C56 H112 Cl8 N16 Zr4 -","4","1","","Carpentier, Jean-François; Martin, Alfredo; Swenson, Dale C.; Jordan, Richard F.","Synthesis, Stereochemistry, and Reactivity of Group 4 Metal Complexes That Contain a Chiral Tetradentate Diamine-Diamide Ligand","Organometallics","2003","22","24","4999","5010","10.1021/om0340443","","","","","","","0.0483","","","0.0834","","","","","","","","","","","has coordinates,has disorder","192144","2020-10-21","18:00:00",""
"4062390","8.436","0.002","8.436","0.002","65.573","0.015","90","","90","","120","","4041","2","213","2","213","2","","","","","","","","4","P 61","P 61","169","","","","- C28 H42 N4 Ti -","- C28 H42 N4 Ti -","- C168 H252 N24 Ti6 -","6","1","","Carpentier, Jean-François; Martin, Alfredo; Swenson, Dale C.; Jordan, Richard F.","Synthesis, Stereochemistry, and Reactivity of Group 4 Metal Complexes That Contain a Chiral Tetradentate Diamine-Diamide Ligand","Organometallics","2003","22","24","4999","5010","10.1021/om0340443","","","","","","","","","","","","","","","","","","","","","has coordinates","192144","2020-10-21","18:00:00",""
"4062391","10.029","0.003","12.015","0.003","12.52","0.004","89.232","0.005","88.61","0.006","88.114","0.006","1507.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 Al2 N2 P -","- C31 H39 Al2 N2 P -","- C62 H78 Al4 N4 P2 -","2","1","","Wang, Zhong-Xia; Li, Ye-Xin","Reactions of Iminophosphorano(8-quinolyl)methane with AlMe~3~: Unexpected Formation of Aluminum Iminophosphorano(2-methyl-8-quinolyl)methandiide Complex","Organometallics","2003","22","24","4900","4904","10.1021/om034045v","","","","","","","","","","","","","","","","","","","","","has coordinates","192135","2020-10-21","18:00:00",""
"4062392","10.912","0.003","11.61","0.004","13.007","0.004","88.417","0.005","65.396","0.005","63.159","0.005","1310.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Al N2 P -","- C29 H36 Al N2 P -","- C58 H72 Al2 N4 P2 -","2","1","","Wang, Zhong-Xia; Li, Ye-Xin","Reactions of Iminophosphorano(8-quinolyl)methane with AlMe~3~: Unexpected Formation of Aluminum Iminophosphorano(2-methyl-8-quinolyl)methandiide Complex","Organometallics","2003","22","24","4900","4904","10.1021/om034045v","","","","","","","","","","","","","","","","","","","","","has coordinates","192135","2020-10-21","18:00:00",""
"4062393","9.998","0.003","22.527","0.006","13.184","0.004","90","","95.96","0.005","90","","2953.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Al2 N2 P -","- C30 H37 Al2 N2 P -","- C120 H148 Al8 N8 P4 -","4","1","","Wang, Zhong-Xia; Li, Ye-Xin","Reactions of Iminophosphorano(8-quinolyl)methane with AlMe~3~: Unexpected Formation of Aluminum Iminophosphorano(2-methyl-8-quinolyl)methandiide Complex","Organometallics","2003","22","24","4900","4904","10.1021/om034045v","","","","","","","","","","","","","","","","","","","","","has coordinates","192135","2020-10-21","18:00:00",""
"4062394","22.9957","0.0013","12.0462","0.0006","21.6125","0.0012","90","","100.213","0.001","90","","5892","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 F10 N O3 P2 Pd Pt -","- C60 H68 F10 N O3 P2 Pd Pt -","- C240 H272 F40 N4 O12 P8 Pd4 Pt4 -","4","1","","Alonso, Ester; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy","Reactivity of [NBu~4~][(C~6~F~5~)~2~M(μ-PPh~2~)~2~M'(acac-O,O')] (M, M' = Pt, Pd) toward Silver Centers. Synthesis of Polynuclear Complexes Containing M-Ag Bonds (M = Pd, Pt)","Organometallics","2003","22","24","5011","5019","10.1021/om034047f","","","","","","","","","","","","","","","","","","","","","has coordinates","192146","2020-10-21","18:00:00",""
"4062395","13.261","0.005","22.962","0.007","20.048","0.007","90","","96.63","0.03","90","","6063.8","3.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H43 Ag Cl3 F10 O2 P3 Pt2 -","- C60 H43 Ag Cl3 F10 O2 P3 Pt2 -","- C240 H172 Ag4 Cl12 F40 O8 P12 Pt8 -","4","1","","Alonso, Ester; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy","Reactivity of [NBu~4~][(C~6~F~5~)~2~M(μ-PPh~2~)~2~M'(acac-O,O')] (M, M' = Pt, Pd) toward Silver Centers. Synthesis of Polynuclear Complexes Containing M-Ag Bonds (M = Pd, Pt)","Organometallics","2003","22","24","5011","5019","10.1021/om034047f","","","","","","","0.0414","","","0.0968","","","","","","","","","","","has coordinates","192146","2020-10-21","18:00:00",""
"4062396","12.3204","0.0018","23.828","0.004","20.266","0.003","90","","93.78","0.003","90","","5936.5","1.5","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61 H45 Ag Cl4 F10 O2 P3 Pd Pt -","- C61 H45 Ag Cl4 F10 O2 P3 Pd Pt -","- C244 H180 Ag4 Cl16 F40 O8 P12 Pd4 Pt4 -","4","1","","Alonso, Ester; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy","Reactivity of [NBu~4~][(C~6~F~5~)~2~M(μ-PPh~2~)~2~M'(acac-O,O')] (M, M' = Pt, Pd) toward Silver Centers. Synthesis of Polynuclear Complexes Containing M-Ag Bonds (M = Pd, Pt)","Organometallics","2003","22","24","5011","5019","10.1021/om034047f","","","","","","","","","","","","","","","","","","","","","has coordinates","192146","2020-10-21","18:00:00",""
"4062397","11.0731","0.0006","18.224","0.001","12.0902","0.0006","90","","90","","90","","2439.8","0.2","195","2","195","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Cl2 N3 Pd -","- C25 H29 Cl2 N3 Pd -","- C100 H116 Cl8 N12 Pd4 -","4","1","","Bonnet, Ludovic G.; Douthwaite, Richard E.; Kariuki, Benson M.","Synthesis of New Chiral N-Heterocyclic Carbene-Imine Ligands and Their Application to an Asymmetric Allylic Alkylation Reaction","Organometallics","2003","22","21","4187","4189","10.1021/om034050z","","","","","","","","","","","","","","","","","","","","","has coordinates","192079","2020-10-21","18:00:00",""
"4062403","12.7785","0.0004","18.0385","0.0005","17.8506","0.0005","90","","90","","90","","4114.7","0.2","137","2","137","2","","","","","","","","6","P n a 21","P 2c -2n","33","(iPr4Xan)Zr2Cp2Cl4","","","- C39 H50 Cl4 N4 O Zr2 -","- C39 H50 Cl4 N4 O Zr2 -","- C156 H200 Cl16 N16 O4 Zr8 -","4","1","","Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard","Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)","Organometallics","2003","22","23","4818","4824","10.1021/om034063c","","","","","","","","","","","","","","","","","","","","","has coordinates","192127","2020-10-21","18:00:00",""
"4062404","23.1814","0.0006","13.7921","0.0004","11.6429","0.0003","90","","90","","90","","3722.47","0.17","138","2","138","2","","","","","","","","5","P n a 21","P 2c -2n","33","(iPr4Xan)Zr2Cp2H4","","","- C39 H54 N4 O Zr2 -","- C39 H54 N4 O Zr2 -","- C156 H216 N16 O4 Zr8 -","4","1","","Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard","Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)","Organometallics","2003","22","23","4818","4824","10.1021/om034063c","","","","","","","","","","","","","","","","","","","","","has coordinates","192127","2020-10-21","18:00:00",""
"4062405","13.3607","0.0003","13.3607","0.0003","23.5264","0.0008","90","","90","","120","","3637.01","0.17","143","2","143","2","","","","","","","","5","P 32 2 1","P 32 2""","154","(iPr4Xan)Zr2(NMe2)6","","","- C41 H76 N10 O Zr2 -","- C41 H76 N10 O Zr2 -","- C123 H228 N30 O3 Zr6 -","3","0.5","","Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard","Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)","Organometallics","2003","22","23","4818","4824","10.1021/om034063c","","","","","","","","","","","","","","","","","","","","","has coordinates","192127","2020-10-21","18:00:00",""
"4062409","8.85","0.0005","27.732","0.0017","11.8344","0.0006","90","","108.879","0.001","90","","2748.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Co3 O11 Ti -","- C24 H19 Co3 O11 Ti -","- C96 H76 Co12 O44 Ti4 -","4","1","","Niibayashi, Shota; Mitsui, Kaoru; Matsubara, Kouki; Nagashima, Hideo","Novel Titanium-Cobalt Complexes Formed by Reductive Cleavage of a Co-Co Bond in Co~2~(CO)~8~ by Titanocene tert-Butoxides: Synthesis, Characterization, and Mechanistic Aspects for Metal-Metal Bond Recombination","Organometallics","2003","22","24","4885","4892","10.1021/om0340701","","","","","","","","","","","","","","","","","","","","","has coordinates","192134","2020-10-21","18:00:00",""
"4062410","9.026","0.005","21.59","0.01","30.62","0.01","109.38","0.04","94.4","0.04","93.22","0.05","5591","5","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Co O5 Ti -","- C28 H39 Co O5 Ti -","- C224 H312 Co8 O40 Ti8 -","8","4","","Niibayashi, Shota; Mitsui, Kaoru; Matsubara, Kouki; Nagashima, Hideo","Novel Titanium-Cobalt Complexes Formed by Reductive Cleavage of a Co-Co Bond in Co~2~(CO)~8~ by Titanocene tert-Butoxides: Synthesis, Characterization, and Mechanistic Aspects for Metal-Metal Bond Recombination","Organometallics","2003","22","24","4885","4892","10.1021/om0340701","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062411","7.628","0.002","9.686","0.003","10.081","0.003","58.36","0.02","72.66","0.02","64.84","0.02","571.2","0.3","123.1","","","","","","","","","","","5","P 1","P 1","1","","","","- C22 H27 Co O6 Ti -","- C22 H27 Co O6 Ti -","- C22 H27 Co O6 Ti -","1","1","","Niibayashi, Shota; Mitsui, Kaoru; Matsubara, Kouki; Nagashima, Hideo","Novel Titanium-Cobalt Complexes Formed by Reductive Cleavage of a Co-Co Bond in Co~2~(CO)~8~ by Titanocene tert-Butoxides: Synthesis, Characterization, and Mechanistic Aspects for Metal-Metal Bond Recombination","Organometallics","2003","22","24","4885","4892","10.1021/om0340701","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062412","11.8594","0.0008","18.2041","0.0009","14.2014","0.0011","90","","91.831","0.001","90","","3064.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Mo O4 Ti -","- C32 H44 Mo O4 Ti -","- C128 H176 Mo4 O16 Ti4 -","4","1","","Niibayashi, Shota; Mitsui, Kaoru; Matsubara, Kouki; Nagashima, Hideo","Novel Titanium-Cobalt Complexes Formed by Reductive Cleavage of a Co-Co Bond in Co~2~(CO)~8~ by Titanocene tert-Butoxides: Synthesis, Characterization, and Mechanistic Aspects for Metal-Metal Bond Recombination","Organometallics","2003","22","24","4885","4892","10.1021/om0340701","","","","","","","","","","","","","","","","","","","","","has coordinates","192134","2020-10-21","18:00:00",""
"4062413","26.24","0.03","13.746","0.007","20.021","0.008","90","","107.08","0.09","90","","6903","9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 Ge2 N4 O2 P4 Si4 -","- C62 H76 Ge2 N4 O2 P4 Si4 -","- C248 H304 Ge8 N16 O8 P16 Si16 -","4","0.5","","Leung, Wing-Por; So, Cheuk-Wai; Wang, Zhong-Xia; Wang, Jin-Zhi; Mak, Thomas C. W.","Synthesis of Bisgermavinylidene and Its Reaction with Chalcogens","Organometallics","2003","22","21","4305","4311","10.1021/om034071t","","","","","","","","","","","","","","","","","","","","","has coordinates","192085","2020-10-21","18:00:00",""
"4062414","11.8491","0.0014","16.902","0.002","17.737","0.002","90","","105.057","0.003","90","","3430.3","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 Ge2 N4 P4 Se2 Si4 -","- C62 H58 Ge2 N4 P4 Se2 Si4 -","- C124 H116 Ge4 N8 P8 Se4 Si8 -","2","0.5","","Leung, Wing-Por; So, Cheuk-Wai; Wang, Zhong-Xia; Wang, Jin-Zhi; Mak, Thomas C. W.","Synthesis of Bisgermavinylidene and Its Reaction with Chalcogens","Organometallics","2003","22","21","4305","4311","10.1021/om034071t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192085","2020-10-21","18:00:00",""
"4062415","10.197","0.0006","11.5672","0.0007","15.9241","0.0009","79.113","0.001","88.517","0.001","69.37","0.001","1724.49","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H76 Ge2 N4 P4 S2 Si4 -","- C62 H76 Ge2 N4 P4 S2 Si4 -","- C62 H76 Ge2 N4 P4 S2 Si4 -","1","0.5","","Leung, Wing-Por; So, Cheuk-Wai; Wang, Zhong-Xia; Wang, Jin-Zhi; Mak, Thomas C. W.","Synthesis of Bisgermavinylidene and Its Reaction with Chalcogens","Organometallics","2003","22","21","4305","4311","10.1021/om034071t","","","","","","","","","","","","","","","","","","","","","has coordinates","192085","2020-10-21","18:00:00",""
"4062416","10.413","0.0005","11.6373","0.0006","15.0654","0.0007","103.703","0.001","90.982","0.001","101.503","0.001","1734.05","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H76 Ge2 N4 P4 Si4 Te2 -","- C62 H76 Ge2 N4 P4 Si4 Te2 -","- C62 H76 Ge2 N4 P4 Si4 Te2 -","1","0.5","","Leung, Wing-Por; So, Cheuk-Wai; Wang, Zhong-Xia; Wang, Jin-Zhi; Mak, Thomas C. W.","Synthesis of Bisgermavinylidene and Its Reaction with Chalcogens","Organometallics","2003","22","21","4305","4311","10.1021/om034071t","","","","","","","","","","","","","","","","","","","","","has coordinates","192085","2020-10-21","18:00:00",""
"4062421","17.46","0.0012","10.3435","0.0007","20.7597","0.0019","90","","101.494","0.003","90","","3674","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Fe2 Ga O4 P2 -","- C40 H39 Fe2 Ga O4 P2 -","- C160 H156 Fe8 Ga4 O16 P8 -","4","1","","Ueno, Keiji; Watanabe, Takahito; Tobita, Hiromi; Ogino, Hiroshi","Synthesis and Structure of the First Dinuclear Complex Bridged by a Substituent-Free Gallium Atom","Organometallics","2003","22","22","4375","4377","10.1021/om034073d","","","","","","","","","","","","","","","","","","","","","has coordinates","192089","2020-10-21","18:00:00",""
"4062422","14.8574","0.0006","10.9612","0.0004","17.2178","0.0005","90","","107.723","0.0012","90","","2670.93","0.16","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 Fe2 Ga N2 O6 -","- C26 H23 Fe2 Ga N2 O6 -","- C104 H92 Fe8 Ga4 N8 O24 -","4","1","","Ueno, Keiji; Watanabe, Takahito; Tobita, Hiromi; Ogino, Hiroshi","Synthesis and Structure of the First Dinuclear Complex Bridged by a Substituent-Free Gallium Atom","Organometallics","2003","22","22","4375","4377","10.1021/om034073d","","","","","","","","","","","","","","","","","","","","","has coordinates","192089","2020-10-21","18:00:00",""
"4062426","8.5447","0.0019","13.83","0.003","20.59","0.004","90","","90","","90","","2433.1","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl N2 O -","- C28 H32 Cl N2 O -","- C112 H128 Cl4 N8 O4 -","4","1","","Xie, Yong-Rong; Wang, Xi-Sen; Zhao, Hong; Zhang, Jing; Weng, Ling-Hong; Duan, Cun-Ying; Xiong, Ren-Gen; You, Xiao-Zeng; Xue, Zi-Ling","Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid Based on Chiral Ammonium Salts as Building Blocks","Organometallics","2003","22","22","4396","4398","10.1021/om034077i","","","","","","","","","","","","","","","","","","","","","has coordinates","192093","2020-10-21","18:00:00",""
"4062427","24.0169","0.0017","11.4733","0.0008","23.0113","0.0016","90","","113.288","0.001","90","","5824.2","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29 H34 Cl3.5 Cu2.5 N2 O1.5 -","- C29 H34 Cl3.5 Cu2.5 N2 O1.5 -","- C232 H272 Cl28 Cu20 N16 O12 -","8","2","","Xie, Yong-Rong; Wang, Xi-Sen; Zhao, Hong; Zhang, Jing; Weng, Ling-Hong; Duan, Cun-Ying; Xiong, Ren-Gen; You, Xiao-Zeng; Xue, Zi-Ling","Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid Based on Chiral Ammonium Salts as Building Blocks","Organometallics","2003","22","22","4396","4398","10.1021/om034077i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192093","2020-10-21","18:00:00",""
"4062428","13.638","0.003","15.684","0.003","16.274","0.003","71.738","0.003","80.697","0.003","84.728","0.003","3259","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H102 Ge2 N6 P4 Si4 -","- C50 H102 Ge2 N6 P4 Si4 -","- C100 H204 Ge4 N12 P8 Si8 -","2","1","","Leung, Wing-Por; Ip, Queenie Wai-Yan; Wong, Suk-Yu; Mak, Thomas C. W.","Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes","Organometallics","2003","22","22","4604","4609","10.1021/om0340793","","","","","","","","","","","","","","","","","","","","","has coordinates","192116","2020-10-21","18:00:00",""
"4062429","38.2658","0.0018","10.837","0.0005","18.0881","0.0009","90","","104.088","0.001","90","","7275.3","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H59 Mg N3 O P2 Si2 -","- C29 H59 Mg N3 O P2 Si2 -","- C232 H472 Mg8 N24 O8 P16 Si16 -","8","1","","Leung, Wing-Por; Ip, Queenie Wai-Yan; Wong, Suk-Yu; Mak, Thomas C. W.","Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes","Organometallics","2003","22","22","4604","4609","10.1021/om0340793","","","","","","","","","","","","","","","","","","","","","has coordinates","192116","2020-10-21","18:00:00",""
"4062430","11.702","0.002","13.933","0.003","17.285","0.004","89.48","0.03","72.35","0.03","67.73","0.03","2467.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H136 N8 P4 Pb4 Si8 -","- C62 H136 N8 P4 Pb4 Si8 -","- C62 H136 N8 P4 Pb4 Si8 -","1","0.5","","Leung, Wing-Por; Ip, Queenie Wai-Yan; Wong, Suk-Yu; Mak, Thomas C. W.","Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes","Organometallics","2003","22","22","4604","4609","10.1021/om0340793","","","","","","","","","","","","","","","","","","","","","has coordinates","192116","2020-10-21","18:00:00",""
"4062431","17.3273","0.0009","32.3481","0.0017","14.4214","0.0008","90","","109.265","0.001","90","","7630.6","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H100 Cl2 N6 P4 Si4 Sn4 -","- C50 H100 Cl2 N6 P4 Si4 Sn4 -","- C200 H400 Cl8 N24 P16 Si16 Sn16 -","4","0.5","","Leung, Wing-Por; Ip, Queenie Wai-Yan; Wong, Suk-Yu; Mak, Thomas C. W.","Syntheses and Structures of Group 14 1,3-Dimetallacyclobutanes","Organometallics","2003","22","22","4604","4609","10.1021/om0340793","","","","","","","","","","","","","","","","","","","","","has coordinates","192116","2020-10-21","18:00:00",""
"4062432","10.446","0.002","11.849","0.002","12.28","0.002","114.864","0.003","111.23","0.003","91.97","0.004","1253.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 B10 N2 S Ti -","- C18 H32 B10 N2 S Ti -","- C36 H64 B20 N4 S2 Ti2 -","2","1","","Wang, Jianhui; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","A New Class of Constrained-Geometry Metallocenes: Synthesis and Crystal Structure of a Carboranyl-Thiol-Appended Half-Sandwich Titanocene and Its Conversion to Halotitanocene","Organometallics","2003","22","24","4839","4841","10.1021/om0340802","","","","","","","","","","","","","","","","","","","","","has coordinates","192130","2020-10-21","18:00:00",""
"4062438","12.7537","0.0005","19.0983","0.0007","18.8735","0.0006","90","","98.913","0.001","90","","4541.6","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Bert*SnPh2Li)2.2benzene","","","- C108 H130 Li2 Sn2 -","- C108 H130 Li2 Sn2 -","- C216 H260 Li4 Sn4 -","2","0.5","","Eichler, Barrett E.; Phillips, Andrew D.; Power, Philip P.","Reactions of Phenyllithium with the Stannylene Ar*SnPh (Ar* = C6H3-2,6-Trip2; Trip = C6H2-2,4,6-Pri3) and the Synthesis of the Distannylstannylene Sn(SnPh2Ar*)2: Contrasting Behavior in Methyl and Phenyl Derivatives","Organometallics","2003","22","26","5423","5426","10.1021/om034092n","","","","","","","","","","","","","","","","","","","","","has coordinates","218188","2020-10-21","18:00:00",""
"4062439","15.915","0.0005","15.9963","0.0005","21.543","0.0007","71.37","0.001","74.912","0.001","80.575","0.001","4998.4","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","Sn(SnPh2Bert*)2.3.5benzene","","","- C117 H139 Sn3 -","- C117 H139 Sn3 -","- C234 H278 Sn6 -","2","1","","Eichler, Barrett E.; Phillips, Andrew D.; Power, Philip P.","Reactions of Phenyllithium with the Stannylene Ar*SnPh (Ar* = C6H3-2,6-Trip2; Trip = C6H2-2,4,6-Pri3) and the Synthesis of the Distannylstannylene Sn(SnPh2Ar*)2: Contrasting Behavior in Methyl and Phenyl Derivatives","Organometallics","2003","22","26","5423","5426","10.1021/om034092n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218188","2020-10-21","18:00:00",""
"4062440","9.1808","0.0008","33.296","0.004","15.1855","0.0019","90","","101.099","0.006","90","","4555.1","0.9","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H39 N3 Si Th -","- C19 H39 N3 Si Th -","- C152 H312 N24 Si8 Th8 -","8","2","","Stubbert, Bryan D.; Stern, Charlotte L.; Marks, Tobin J.","Synthesis and Catalytic Characteristics of Novel Constrained-Geometry Organoactinide Catalysts. The First Example of Actinide-Mediated Intramolecular Hydroamination","Organometallics","2003","22","24","4836","4838","10.1021/om034093f","","","","","","","","","","","","","","","","","","","","","has coordinates","192129","2020-10-21","18:00:00",""
"4062441","9.3063","0.0015","10.624","0.003","13.063","0.003","90.554","0.016","110.215","0.014","104.66","0.017","1165.8","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H39 N3 Si U -","- C19 H39 N3 Si U -","- C38 H78 N6 Si2 U2 -","2","1","","Stubbert, Bryan D.; Stern, Charlotte L.; Marks, Tobin J.","Synthesis and Catalytic Characteristics of Novel Constrained-Geometry Organoactinide Catalysts. The First Example of Actinide-Mediated Intramolecular Hydroamination","Organometallics","2003","22","24","4836","4838","10.1021/om034093f","","","","","","","","","","","","","","","","","","","","","has coordinates","192129","2020-10-21","18:00:00",""
"4062442","16.2361","0.0019","9.268","0.002","16.843","0.003","90","","93.826","0.008","90","","2528.9","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 N3 Si U -","- C21 H43 N3 Si U -","- C84 H172 N12 Si4 U4 -","4","1","","Stubbert, Bryan D.; Stern, Charlotte L.; Marks, Tobin J.","Synthesis and Catalytic Characteristics of Novel Constrained-Geometry Organoactinide Catalysts. The First Example of Actinide-Mediated Intramolecular Hydroamination","Organometallics","2003","22","24","4836","4838","10.1021/om034093f","","","","","","","","","","","","","","","","","","","","","has coordinates","192129","2020-10-21","18:00:00",""
"4062443","10.099","0.0009","17.5757","0.0016","15.7388","0.0015","90","","98.634","0.002","90","","2761.9","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 N3 Si U -","- C23 H47 N3 Si U -","- C92 H188 N12 Si4 U4 -","4","1","","Stubbert, Bryan D.; Stern, Charlotte L.; Marks, Tobin J.","Synthesis and Catalytic Characteristics of Novel Constrained-Geometry Organoactinide Catalysts. The First Example of Actinide-Mediated Intramolecular Hydroamination","Organometallics","2003","22","24","4836","4838","10.1021/om034093f","","","","","","","","","","","","","","","","","","","","","has coordinates","192129","2020-10-21","18:00:00",""
"4062444","26.369","0.002","10.3905","0.0006","17.0929","0.0015","90","","102.266","0.01","90","","4576.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H51 N2 O2 Te2 -","- C53 H51 N2 O2 Te2 -","- C212 H204 N8 O8 Te8 -","4","0.5","","Kandasamy, Karuppasamy; Kumar, Sangit; Singh, Harkesh B.; Wolmershäuser, Gotthelf","Influence of Both Steric Effects and Te···N Intramolecular Nonbonded Interactions on the Stabilization of Organotellurium Compounds Incorporating [2-[1-(3,5-Dimethylphenyl)-2-naphthyl]-4,5-dihydro-4,4-dimethyloxazole]","Organometallics","2003","22","24","5069","5078","10.1021/om0340948","","","","","","","","","","","","","","","","","","","","","has coordinates","192155","2020-10-21","18:00:00",""
"4062445","11.5012","0.0008","9.7805","0.0007","18.4007","0.0014","90","","93.532","0.009","90","","2065.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O Te -","- C23 H22 Cl N O Te -","- C92 H88 Cl4 N4 O4 Te4 -","4","1","","Kandasamy, Karuppasamy; Kumar, Sangit; Singh, Harkesh B.; Wolmershäuser, Gotthelf","Influence of Both Steric Effects and Te···N Intramolecular Nonbonded Interactions on the Stabilization of Organotellurium Compounds Incorporating [2-[1-(3,5-Dimethylphenyl)-2-naphthyl]-4,5-dihydro-4,4-dimethyloxazole]","Organometallics","2003","22","24","5069","5078","10.1021/om0340948","","","","","","","","","","","","","","","","","","","","","has coordinates","192155","2020-10-21","18:00:00",""
"4062446","10.0971","0.0009","20.6226","0.0014","11.5861","0.0009","90","","104.857","0.009","90","","2331.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl3 N O Te -","- C23 H22 Cl3 N O Te -","- C92 H88 Cl12 N4 O4 Te4 -","4","1","","Kandasamy, Karuppasamy; Kumar, Sangit; Singh, Harkesh B.; Wolmershäuser, Gotthelf","Influence of Both Steric Effects and Te···N Intramolecular Nonbonded Interactions on the Stabilization of Organotellurium Compounds Incorporating [2-[1-(3,5-Dimethylphenyl)-2-naphthyl]-4,5-dihydro-4,4-dimethyloxazole]","Organometallics","2003","22","24","5069","5078","10.1021/om0340948","","","","","","","","","","","","","","","","","","","","","has coordinates","192155","2020-10-21","18:00:00",""
"4062447","11.6776","0.0009","9.8397","0.0006","18.3471","0.0012","90","","91.723","0.008","90","","2107.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N O Te -","- C23 H22 Br N O Te -","- C92 H88 Br4 N4 O4 Te4 -","4","1","","Kandasamy, Karuppasamy; Kumar, Sangit; Singh, Harkesh B.; Wolmershäuser, Gotthelf","Influence of Both Steric Effects and Te···N Intramolecular Nonbonded Interactions on the Stabilization of Organotellurium Compounds Incorporating [2-[1-(3,5-Dimethylphenyl)-2-naphthyl]-4,5-dihydro-4,4-dimethyloxazole]","Organometallics","2003","22","24","5069","5078","10.1021/om0340948","","","","","","","","","","","","","","","","","","","","","has coordinates","192155","2020-10-21","18:00:00",""
"4062448","11.7944","0.001","9.8566","0.0006","18.3522","0.0015","90","","90.962","0.01","90","","2133.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 I N O Te -","- C23 H22 I N O Te -","- C92 H88 I4 N4 O4 Te4 -","4","1","","Kandasamy, Karuppasamy; Kumar, Sangit; Singh, Harkesh B.; Wolmershäuser, Gotthelf","Influence of Both Steric Effects and Te···N Intramolecular Nonbonded Interactions on the Stabilization of Organotellurium Compounds Incorporating [2-[1-(3,5-Dimethylphenyl)-2-naphthyl]-4,5-dihydro-4,4-dimethyloxazole]","Organometallics","2003","22","24","5069","5078","10.1021/om0340948","","","","","","","","","","","","","","","","","","","","","has coordinates","192155","2020-10-21","18:00:00",""
"4062449","10.61","0.001","15.18","0.001","13.4861","0.0009","90","","94.782","0.005","90","","2164.6","0.3","150.2","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H31 N O2 Si W -","- C22 H31 N O2 Si W -","- C88 H124 N4 O8 Si4 W4 -","4","1","","Okazaki, Masaaki; Suzuki, Eiji; Miyajima, Norito; Tobita, Hiromi; Ogino, Hiroshi","Facile Isomerization of a Tungsten Silyl Complex to a Base-Stabilized Silylene Complex via 1,2-Migration of an Aryl Group","Organometallics","2003","22","23","4633","4635","10.1021/om034106p","","","","","","","","","","","","","","","","","","","","","has coordinates","192119","2020-10-21","18:00:00",""
"4062450","9.2379","0.0006","11.374","0.0008","10.6759","0.0008","90","","90.799","0.004","90","","1121.63","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl6 N6 Ti2 -","- C14 H24 Cl6 N6 Ti2 -","- C28 H48 Cl12 N12 Ti4 -","2","0.5","","Coles, Martyn P.; Hitchcock, Peter B.","Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium","Organometallics","2003","22","25","5201","5211","10.1021/om0341092","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","295430","2024-10-11","09:41:26",""
"4062451","9.3107","0.0003","9.3107","0.0003","30.4556","0.0011","90","","90","","90","","2640.17","0.15","173","2","173","2","","","","","","","","4","P 41","P 4w","76","[Ti(Ch2Ph)2(C7H12N3)2]","","","- C28 H38 N6 Ti -","- C28 H38 N6 Ti -","- C112 H152 N24 Ti4 -","4","1","","Coles, Martyn P.; Hitchcock, Peter B.","Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium","Organometallics","2003","22","25","5201","5211","10.1021/om0341092","","","","","","","","","","","","","","","","","","","","","has coordinates","295430","2024-10-11","09:41:28",""
"4062452","10.822","0.0005","10.4833","0.0004","15.3615","0.0008","90","","102.882","0.002","90","","1698.9","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[{TiCl(NtBu)(C7H12N3)}2].toluene","","","- C29 H50 Cl2 N8 Ti2 -","- C29 H50 Cl2 N8 Ti2 -","- C58 H100 Cl4 N16 Ti4 -","2","0.5","","Coles, Martyn P.; Hitchcock, Peter B.","Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium","Organometallics","2003","22","25","5201","5211","10.1021/om0341092","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","295430","2024-10-11","09:41:28",""
"4062453","17.8443","0.0011","9.1562","0.0004","19.2712","0.001","90","","115.112","0.002","90","","2851","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[{TiCl(C7H12N3)(NtBu)}2]","","","- C22 H42 Cl2 N8 Ti2 -","- C22 H42 Cl2 N8 Ti2 -","- C88 H168 Cl8 N32 Ti8 -","4","0.5","","Coles, Martyn P.; Hitchcock, Peter B.","Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium","Organometallics","2003","22","25","5201","5211","10.1021/om0341092","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","295430","2024-10-11","09:41:29",""
"4062454","10.716","0.0003","15.3055","0.0004","24.9766","0.0005","90","","90","","90","","4096.51","0.18","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[{Ti(NtBu)(C7H12N3)2}2]","","","- C36 H66 N14 Ti2 -","- C36 H66 N14 Ti2 -","- C144 H264 N56 Ti8 -","4","0.5","","Coles, Martyn P.; Hitchcock, Peter B.","Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium","Organometallics","2003","22","25","5201","5211","10.1021/om0341092","","","","","","","","","","","","","","","","","","","","","has coordinates","295430","2024-10-11","09:41:29",""
"4062455","7.7279","0.0003","14.1402","0.0006","8.3068","0.0004","90","","92.156","0.001","90","","907.08","0.07","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 O3 Re -","- C23 H17 O3 Re -","- C46 H34 O6 Re2 -","2","1","","Chin, Robert M.; Baird, Benjamin; Jarosh, Michael; Rassman, Shane; Barry, Brian; Jones, William D.","Synthesis, Characterization, and Reactivity of a Rhenium Complex with a Corannulene-Based Ligand","Organometallics","2003","22","23","4829","4832","10.1021/om034111t","","","","","","","","","","","","","","","","","","","","","has coordinates","192128","2020-10-21","18:00:00",""
"4062456","9.3836","0.0006","14.6876","0.001","15.6481","0.001","94.946","0.001","97.253","0.001","107.281","0.001","2025.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 O16 P2 Ru4 -","- C34 H22 O16 P2 Ru4 -","- C68 H44 O32 P4 Ru8 -","2","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lin, Zhenyang","Activation of Tri(2-furyl)phosphine by [Ru~4~(μ-H)~4~(CO)~12~]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters","Organometallics","2003","22","24","5100","5108","10.1021/om0341193","","","","","","","","","","","","","","","","","","","","","has coordinates","192157","2020-10-21","18:00:00",""
"4062457","13.2376","0.0008","18.288","0.0011","17.5132","0.0011","90","","109.439","0.001","90","","3998.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 O16 P2 Ru4 -","- C34 H22 O16 P2 Ru4 -","- C136 H88 O64 P8 Ru16 -","4","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lin, Zhenyang","Activation of Tri(2-furyl)phosphine by [Ru~4~(μ-H)~4~(CO)~12~]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters","Organometallics","2003","22","24","5100","5108","10.1021/om0341193","","","","","","","","","","","","","","","","","","","","","has coordinates","192157","2020-10-21","18:00:00",""
"4062458","18.8059","0.001","12.6525","0.0007","20.712","0.0011","90","","108.41","0.001","90","","4676","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H29 O17 P3 Ru4 -","- C44 H29 O17 P3 Ru4 -","- C176 H116 O68 P12 Ru16 -","4","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lin, Zhenyang","Activation of Tri(2-furyl)phosphine by [Ru~4~(μ-H)~4~(CO)~12~]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters","Organometallics","2003","22","24","5100","5108","10.1021/om0341193","","","","","","","","","","","","","","","","","","","","","has coordinates","192157","2020-10-21","18:00:00",""
"4062459","17.2846","0.0011","8.6028","0.0006","16.7755","0.0011","90","","104.994","0.001","90","","2409.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H5 O13 P Ru4 -","- C15.94 H5 O12.903 P Ru4 -","- C63.76 H20 O51.612 P4 Ru16 -","4","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lin, Zhenyang","Activation of Tri(2-furyl)phosphine by [Ru~4~(μ-H)~4~(CO)~12~]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters","Organometallics","2003","22","24","5100","5108","10.1021/om0341193","","","","","","","","","","","","","","","","","","","","","has coordinates","192157","2020-10-21","18:00:00",""
"4062460","10.7244","0.0007","11.6046","0.0007","18.3353","0.0011","84.908","0.001","88.264","0.001","74.274","0.001","2187.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 O17 P3 Ru4 -","- C38 H23 O17 P3 Ru4 -","- C76 H46 O34 P6 Ru8 -","2","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lin, Zhenyang","Activation of Tri(2-furyl)phosphine by [Ru~4~(μ-H)~4~(CO)~12~]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters","Organometallics","2003","22","24","5100","5108","10.1021/om0341193","","","","","","","","","","","","","","","","","","","","","has coordinates","192157","2020-10-21","18:00:00",""
"4062461","11.392","0.002","11.981","0.002","22.082","0.004","92.445","0.004","101.154","0.004","90.597","0.004","2953.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 O20 P4 Ru4 -","- C54 H46 O20 P4 Ru4 -","- C108 H92 O40 P8 Ru8 -","2","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lin, Zhenyang","Activation of Tri(2-furyl)phosphine by [Ru~4~(μ-H)~4~(CO)~12~]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters","Organometallics","2003","22","24","5100","5108","10.1021/om0341193","","","","","","","","","","","","","","","","","","","","","has coordinates","192157","2020-10-21","18:00:00",""
"4062462","37.575","0.003","12.6602","0.0009","19.474","0.0013","90","","98.83","0.001","90","","9154.1","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H25 O17 P3 Ru4 -","- C41 H25 O17 P3 Ru4 -","- C328 H200 O136 P24 Ru32 -","8","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lin, Zhenyang","Activation of Tri(2-furyl)phosphine by [Ru~4~(μ-H)~4~(CO)~12~]: The First Example of Coordinated Furyl and Furyne Ligands at Tetraruthenium Phosphide and Phosphinidene Clusters","Organometallics","2003","22","24","5100","5108","10.1021/om0341193","","","","","","","","","","","","","","","","","","","","","has coordinates","192157","2020-10-21","18:00:00",""
"4062468","9.104","0.002","21.473","0.003","14.635","0.002","90","","105.417","0.013","90","","2758.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O3 P2 Pt S -","- C24 H38 O3 P2 Pt S -","- C96 H152 O12 P8 Pt4 S4 -","4","1","","Picazo, Graciela; Arevalo, Alma; Bernès, Sylvain; Garcia, Juventino J.","Thiaplatinacycles Derived from Dibenzothiophene-Containing Phosphites as Auxiliary Ligands and Their Role in Homogeneous Desulfurization Reactions","Organometallics","2003","22","23","4734","4738","10.1021/om034126r","","","","","","","0.0368","","","0.0797","","","","","","","","","","","has coordinates,has disorder","192123","2020-10-21","18:00:00",""
"4062469","12.7","0.001","16.715","0.002","14.703","0.001","90","","100.14","","90","","3072.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 O3 P2 Pt S -","- C27 H44 O3 P2 Pt S -","- C108 H176 O12 P8 Pt4 S4 -","4","1","","Picazo, Graciela; Arevalo, Alma; Bernès, Sylvain; Garcia, Juventino J.","Thiaplatinacycles Derived from Dibenzothiophene-Containing Phosphites as Auxiliary Ligands and Their Role in Homogeneous Desulfurization Reactions","Organometallics","2003","22","23","4734","4738","10.1021/om034126r","","","","","","","","","","","","","","","","","","","","","has coordinates","192123","2020-10-21","18:00:00",""
"4062472","6.3037","0.0002","15.6826","0.0005","18.2702","0.0006","90","","96.106","0.002","90","","1795.92","0.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Cl N Ni P -","- C16 H25 Cl N Ni P -","- C64 H100 Cl4 N4 Ni4 P4 -","4","1","","Groux, Laurent F.; Zargarian, Davit","Aminoalkyl-Substituted Indenylnickel(II) Complexes (η^3^:η^0^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)X and [(η^3^:η^1^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)][BPh~4~]: Influence of the Phosphine in Ligand Exchange and Polymerization Reactions","Organometallics","2003","22","23","4759","4769","10.1021/om0341348","","","","","","","","","","","","","","","","","","","","","has coordinates","192125","2020-10-21","18:00:00",""
"4062473","9.3419","0.0003","12.8669","0.0005","13.9322","0.0005","98.748","0.003","103.145","0.002","106.493","0.003","1521.01","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 N Ni P -","- C35 H41 N Ni P -","- C70 H82 N2 Ni2 P2 -","2","1","","Groux, Laurent F.; Zargarian, Davit","Aminoalkyl-Substituted Indenylnickel(II) Complexes (η^3^:η^0^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)X and [(η^3^:η^1^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)][BPh~4~]: Influence of the Phosphine in Ligand Exchange and Polymerization Reactions","Organometallics","2003","22","23","4759","4769","10.1021/om0341348","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4062474","9.998","0.003","13.887","0.004","14.716","0.005","111.58","0.03","99.68","0.03","99.55","0.03","1814.2","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42.28 H43.55 Cl0.09 N Ni O P -","- C42.28 H43.55 Cl0.09 N Ni O P -","- C84.56 H87.1 Cl0.18 N2 Ni2 O2 P2 -","2","1","","Groux, Laurent F.; Zargarian, Davit","Aminoalkyl-Substituted Indenylnickel(II) Complexes (η^3^:η^0^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)X and [(η^3^:η^1^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)][BPh~4~]: Influence of the Phosphine in Ligand Exchange and Polymerization Reactions","Organometallics","2003","22","23","4759","4769","10.1021/om0341348","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4062475","6.4485","0.0002","8.572","0.0003","16.7049","0.0005","84.18","0.03","80.64","0.03","85.7","0.03","904.8","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 N Ni P -","- C17 H28 N Ni P -","- C34 H56 N2 Ni2 P2 -","2","1","","Groux, Laurent F.; Zargarian, Davit","Aminoalkyl-Substituted Indenylnickel(II) Complexes (η^3^:η^0^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)X and [(η^3^:η^1^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)][BPh~4~]: Influence of the Phosphine in Ligand Exchange and Polymerization Reactions","Organometallics","2003","22","23","4759","4769","10.1021/om0341348","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062476","10.9625","0.0002","13.4241","0.0002","17.6136","0.0002","83.939","0.001","87.023","0.001","78.308","0.001","2522.84","0.05","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H71 B Cl2 N Ni P -","- C56 H71 B Cl2 N Ni P -","- C112 H142 B2 Cl4 N2 Ni2 P2 -","2","1","","Groux, Laurent F.; Zargarian, Davit","Aminoalkyl-Substituted Indenylnickel(II) Complexes (η^3^:η^0^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)X and [(η^3^:η^1^-Ind(CH~2~)~2~NMe~2~)Ni(PR~3~)][BPh~4~]: Influence of the Phosphine in Ligand Exchange and Polymerization Reactions","Organometallics","2003","22","23","4759","4769","10.1021/om0341348","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4062477","15.2629","0.0007","15.2629","0.0007","15.2629","0.0008","90","","90","","90","","3555.6","0.3","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C21 H15 F3 Ge -","- C21 H15 F3 Ge -","- C168 H120 F24 Ge8 -","8","0.333333","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.","Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.","Organometallics","2003","22","26","5534","5542","10.1021/om034146t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062478","15.1654","0.0007","15.1654","0.0007","15.1654","0.0007","90","","90","","90","","3487.9","0.3","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C21 H15 F3 Si -","- C21 H15 F3 Si -","- C168 H120 F24 Si8 -","8","0.333333","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.","Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.","Organometallics","2003","22","26","5534","5542","10.1021/om034146t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062479","19.1078","0.0007","10.6047","0.0004","18.0521","0.0008","90","","106.251","0.002","90","","3511.8","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 F3 -","- C22 H15 F3 -","- C176 H120 F24 -","8","1","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.","Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.","Organometallics","2003","22","26","5534","5542","10.1021/om034146t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062480","10.2298","0.0004","10.2607","0.0004","12.3244","0.0006","93.092","0.002","105.67","0.002","116.434","0.002","1092.33","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 F3 Si -","- C25 H25 F3 Si -","- C50 H50 F6 Si2 -","2","1","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.","Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.","Organometallics","2003","22","26","5534","5542","10.1021/om034146t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062481","9.2663","0.0002","11.1733","0.0002","12.735","0.0003","105.304","0.001","98.691","0.001","114.007","0.001","1110.63","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 F3 Si -","- C27 H21 F3 Si -","- C54 H42 F6 Si2 -","2","1","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E.","Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments.","Organometallics","2003","22","26","5534","5542","10.1021/om034146t","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062487","8.5605","0.0009","19.289","0.002","18.308","0.002","90","","97.137","0.002","90","","2999.6","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl2 N2 Ti -","- C30 H48 Cl2 N2 Ti -","- C120 H192 Cl8 N8 Ti4 -","4","1","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Blake, Alexander J.; Wilson, Claire; Love, Jason B.","Non-cyclopentadienyl Titanium(III)-Magnesium Hydride Formation by Reduction of an Amidotitanium(IV) Complex","Organometallics","2003","22","22","4387","4389","10.1021/om034164a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062488","20.901","0.005","28.919","0.006","50.135","0.011","90","","90","","90","","30303","19","150","2","150","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C74 H110 Cl Mg2 N2 O5 P2 Ti -","- C74 H98 Cl Mg2 N2 O5 P2 Ti -","- C1184 H1568 Cl16 Mg32 N32 O80 P32 Ti16 -","16","0.5","","Mokuolu, Q. Folashade; Duckmanton, Paul A.; Blake, Alexander J.; Wilson, Claire; Love, Jason B.","Non-cyclopentadienyl Titanium(III)-Magnesium Hydride Formation by Reduction of an Amidotitanium(IV) Complex","Organometallics","2003","22","22","4387","4389","10.1021/om034164a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192091","2020-10-21","18:00:00",""
"4062498","14.9502","0.0007","17.0382","0.0011","20.548","0.0009","69.423","0.006","79.093","0.005","85.579","0.007","4811.3","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C100.5 H150 Ge4 Se -","- C100.5 H150 Ge4 Se -","- C201 H300 Ge8 Se2 -","2","1","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218190","2020-10-21","18:00:00",""
"4062499","17.58","0.0006","28.504","0.0014","18.3953","0.0008","90","","90","","90","","9217.9","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C88 H124 Ge4 Te6 -","- C88 H124 Ge4 Te6 -","- C352 H496 Ge16 Te24 -","4","0.5","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates","218190","2020-10-21","18:00:00",""
"4063214","11.299","0.016","11.826","0.016","15.67","0.02","70.15","0.02","78.05","0.03","81.23","0.03","1919","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.3 H20 Cl0.6 I N2 O0.2 -","- C20.3 H19 Cl0.6 I N2 O0.2 -","- C81.2 H76 Cl2.4 I4 N8 O0.8 -","4","2","","Qing-Xiang Liu; Feng-Bo Xu; Qing-Shan Li; Xian-Shun Zeng; Xue-Bin Leng; Yuan L. Chou; Zheng-Zhi Zhang","A Luminescent Silver(I) Carbene Stair Polymer","Organometallics","2003","22","","309","314","10.1021/om020572n","","","0.71073","MoKα","","0.1753","0.0615","","","0.1574","0.1861","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063215","4.572","0.002","18.45","0.009","25.441","0.012","90","","91.154","0.008","90","","2145.7","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H20 Ag Cl I N2 O0.5 -","- C20.5 H18 Ag Cl I N2 O0.5 -","- C82 H72 Ag4 Cl4 I4 N8 O2 -","4","1","","Qing-Xiang Liu; Feng-Bo Xu; Qing-Shan Li; Xian-Shun Zeng; Xue-Bin Leng; Yuan L. Chou; Zheng-Zhi Zhang","A Luminescent Silver(I) Carbene Stair Polymer","Organometallics","2003","22","","309","314","10.1021/om020572n","","","0.71073","MoKα","","0.0721","0.0483","","","0.1141","0.1257","","","","","","1.018","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4076619","9.093","0.003","11.484","0.004","14.058","0.004","113.35","0.04","94.59","0.04","100.65","0.04","1305.3","0.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H36 O11 S2 Sn -","- C19 H36 O11 S2 Sn -","- C38 H72 O22 S4 Sn2 -","2","1","","Chandrasekhar, Vadapalli; Boomishankar, Ramamoorthy; Steiner, Alexander; Bickley, Jamie F.","First Example of a Hydrogen-Bonded Three-DimensionalPillaredStructure Involving an Organotin Motif: Synthesis and X-ray Crystal Structures of {[nBu2Sn(H2O)3(L)Sn(H2O)3nBu2]2+[L]2-}·2MeOH·2H2O and {[Ph3Sn(L)Sn(H2O)Ph3]n}·THF (L = 1,5-Naphthalenedisulfonate)","Organometallics","2003","22","17","3342","","10.1021/om030423k","","","0.71073","MoKα","","0.0378","0.0335","","","0.0886","0.0906","","","","","","1.031","","","","has coordinates","264242","2021-04-16","08:50:58",""
"4076620","14.3593","0.0006","15.9365","0.0007","20.5615","0.0009","90","","107.443","0.001","90","","4488.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 O8 S2 Sn2 -","- C50 H46 O8 S2 Sn2 -","- C200 H184 O32 S8 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Boomishankar, Ramamoorthy; Steiner, Alexander; Bickley, Jamie F.","First Example of a Hydrogen-Bonded Three-DimensionalPillaredStructure Involving an Organotin Motif: Synthesis and X-ray Crystal Structures of {[nBu2Sn(H2O)3(L)Sn(H2O)3nBu2]2+[L]2-}·2MeOH·2H2O and {[Ph3Sn(L)Sn(H2O)Ph3]n}·THF (L = 1,5-Naphthalenedisulfonate)","Organometallics","2003","22","17","3342","","10.1021/om030423k","","","0.71073","MoKα","","0.028","0.0246","","","0.0623","0.064","","","","","","1.023","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076621","9.359","0.0016","11.6647","0.0019","15.66","0.003","100.674","0.003","103.803","0.003","91.311","0.003","1627.5","0.5","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 D3 Ge O Si4 -","- C27 H47 D3 Ge O Si4 -","- C54 H94 D6 Ge2 O2 Si8 -","2","1","","Sweeder, Ryan D.; Cygan, Zuzanna T.; Banaszak Holl, Mark M.; Kampf, Jeff W.","Germylene-Induced Hydrogenation of Benzophenone","Organometallics","2003","22","22","4613","","10.1021/om034025t","","","0.71073","MoKα","","0.0329","0.0281","","","0.072","0.0748","","","","","","1.031","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4086239","12.762","","15.661","","16.031","","72.652","","67.689","","87.151","","2822.02","","","","","","","","","","","","","5","P -1","-P 1","2","","(H ((C O)4 Os)2 ((C O)3 Os) ((Re (C O)5) Os (C O)3))","","- C19 H O19 Os4 Re -","- C19 H O19 Os4 Re -","- C76 H4 O76 Os16 Re4 -","4","2","","Canal, J.P.; Yap, G.P.A.; Pomeroy, R.K.","The Re Os4 (mue-H) (C O)n (n= 19, 18, 16) clusters","Organometallics","2003","22","","3439","3447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086240","8.5656","","9.0159","","17.7342","","94.118","","102.929","","100.287","","1304.42","","","","","","","","","","","","","5","P -1","-P 1","2","","(H (C O) (Os (C O)3)3 ((Re (C O)5) Os (C O)3))","","- C18 H O18 Os4 Re -","- C18 H O18 Os4 Re -","- C36 H2 O36 Os8 Re2 -","2","1","","Canal, J.P.; Yap, G.P.A.; Pomeroy, R.K.","The Re Os4 (mue-H) (C O)n (n = 19, 18, 16) clusters","Organometallics","2003","22","","3439","3447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086241","9.6342","","11.4977","","21.581","","90","","90","","90","","2390.55","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((Re (C O)4) H (Os (C O)3)4)","","- C16 H O16 Os4 Re -","- C16 H O16 Os4 Re -","- C64 H4 O64 Os16 Re4 -","4","1","","Canal, J.P.; Yap, G.P.A.; Pomeroy, R.K.","The Re Os4 (mue-H) (C O)n (n= 19, 18, 16) clusters","Organometallics","2003","22","","3439","3447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4087045","13.982","0.01","10.557","0.008","15.492","0.011","90","","114.687","0.011","90","","2078","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Mo2 O6 -","- C22 H18 Mo2 O6 -","- C88 H72 Mo8 O24 -","4","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0463","0.0276","","","0.0565","0.0616","","","","","","1.009","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087046","11.352","0.005","15.051","0.006","16.731","0.007","90","","101.09","0.03","90","","2805","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Mo2 O6 Si -","- C31 H22 Mo2 O6 Si -","- C124 H88 Mo8 O24 Si4 -","4","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.083","0.0411","","","0.0974","0.1137","","","","","","1.002","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087047","10","0.003","13.87","0.005","14.489","0.005","90","","96.7","0.006","90","","1995.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Mo2 O6 Si -","- C19 H14 Mo2 O6 Si -","- C76 H56 Mo8 O24 Si4 -","4","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0659","0.0349","","","0.0624","0.0695","","","","","","0.999","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087048","9.03","0.005","14.267","0.009","9.649","0.006","90","","117.5","0.009","90","","1102.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H18 O6 Si W2 -","- C21 H18 O6 Si W2 -","- C42 H36 O12 Si2 W4 -","2","0.5","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0581","0.0332","","","0.061","0.0679","","","","","","1.04","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087049","13.915","0.009","10.5","0.006","15.413","0.009","90","","114.273","0.009","90","","2053","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O6 W2 -","- C22 H18 O6 W2 -","- C88 H72 O24 W8 -","4","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0838","0.0404","","","0.0658","0.0757","","","","","","0.94","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087050","9.776","0.003","9.764","0.003","13.718","0.004","76.427","0.005","74.818","0.005","69.489","0.005","1168.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 O6 Si W2 -","- C24 H22 O6 Si W2 -","- C48 H44 O12 Si2 W4 -","2","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.092","0.0568","","","0.1243","0.1397","","","","","","0.975","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087051","9.614","0.003","10.472","0.004","11.189","0.004","101.361","0.006","94.495","0.006","92.575","0.006","1098.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Ge Mo2 O6 -","- C21 H18 Ge Mo2 O6 -","- C42 H36 Ge2 Mo4 O12 -","2","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0689","0.0376","","","0.0762","0.0858","","","","","","0.998","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087052","9.77","0.003","9.847","0.003","13.793","0.005","76.617","0.006","75.152","0.006","69.777","0.005","1188.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Ge Mo2 O6 -","- C24 H22 Ge Mo2 O6 -","- C48 H44 Ge2 Mo4 O12 -","2","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0576","0.0325","","","0.0627","0.0723","","","","","","1.002","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087053","9.546","0.003","10.398","0.004","11.104","0.004","101.448","0.005","94.525","0.006","92.555","0.005","1074.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Ge O6 W2 -","- C21 H18 Ge O6 W2 -","- C42 H36 Ge2 O12 W4 -","2","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0565","0.0414","","","0.1012","0.1097","","","","","","0.997","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087054","16.53","0.007","9.453","0.004","19.501","0.008","90","","114.838","0.006","90","","2765","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Mo2 O6 -","- C27 H30 Mo2 O6 -","- C108 H120 Mo8 O24 -","4","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0822","0.0402","","","0.0693","0.0788","","","","","","1.026","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4087055","16.498","0.019","9.435","0.011","19.45","0.02","90","","114.672","0.016","90","","2751","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O6 W2 -","- C27 H30 O6 W2 -","- C108 H120 O24 W8 -","4","1","","Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong","Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl","Organometallics","2003","22","24","4842","4852","10.1021/om034039z","","","0.71073","MoKα","","0.0685","0.0389","","","0.0847","0.0947","","","","","","1.04","","","","has coordinates","192132","2020-10-21","18:00:00",""
"4344227","17.938","","13.395","","21.448","","90","","90","","90","","5153.52","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Cs5 N H4 (W4 O8 (N C S)12) (H2 O)6","","- C12 Cs5 N13 O10 S12 W4 -","- C12 Cs5 N13 O10 S12 W4 -","- C48 Cs20 N52 O40 S48 W16 -","4","1","","Launay, J.P.; Jeannin, Y.P.; Nel, A.","Substitution Derivatives of the Mixed-Valence (W4 O8 Cl8 (H2 O)4)(2-)-Ion. Crystal and Molecular Structure of Cs5 N H4 (W4 O8 (N C S)12) (H2 O)6","Inorganic Chemistry","1983","22","","277","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","161191","2020-10-21","18:00:00",""
"4344244","6.053","","6.09","","13.797","","84.53","","87.48","","81.56","","500.565","","","","","","","","","","","","","5","P -1","-P 1","2","","Cl4 W N Te F5","","- Cl4 F5 N Te W -","- Cl4 F5 N Te W -","- Cl8 F10 N2 Te2 W2 -","2","1","","Hartl, H.; Huppmann, P.; Seppelt, K.; Lentz, D.","Tellurium-Nitrogen Compounds","Inorganic Chemistry","1983","22","","2183","2187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344246","9.565","","9.3077","","9.2813","","90","","116.44","","90","","739.867","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs2 (Ti Cl2 (H2 O)4) Cl3","","- Cl5 Cs2 H8 O4 Ti -","- Cl5 Cs2 O4 Ti -","- Cl10 Cs4 O8 Ti2 -","2","0.5","","McCarthy, P.J.; Richardson, M.F.","Crystal Structure and Low-Temperature Crystal Spectra of Dicesium trans-Dichlorotetraaquotitanium(III) Chloride","Inorganic Chemistry","1983","22","","2979","2982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344251","14.445","","14.034","","12.725","","90","","90","","90","","2579.63","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","I Br2 Sb2 F11","","- Br2 F11 I Sb2 -","- Br2 F11 I Sb2 -","- Br16 F88 I8 Sb16 -","8","1","","Birchall, T.; Myers, R.D.","Preparation of (I Br2) (Sb2 F11) and (I Br.75 Cl1.25) (Sb Cl6). Their Characterization by X-ray Crystallography and Raman Spectroscopy","Inorganic Chemistry","1983","22","","1751","1756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344252","7.084","","6.299","","13.511","","94.5","","100.32","","92.56","","590.247","","","","","","","","","","","","","4","P -1","-P 1","2","","I Br.75 Cl1.25 (Sb Cl6)","","- Br0.75 Cl7.25 I Sb -","- Br0.74 Cl7.24 I Sb -","- Br1.48 Cl14.48 I2 Sb2 -","2","1","","Birchall, T.; Myers, R.D.","Preparation of (I Br2) (Sb2 F11) and (I Br.75 Cl1.25) (Sb Cl6). Their Characterization by X-ray Crystallography and Raman Spectroscopy","Inorganic Chemistry","1983","22","","1751","1756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344254","11.084","","16.992","","17.387","","90","","90","","90","","3274.66","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bi6 O4 (O H)4 (Cl O4)6 (H2 O)7","","- Bi6 Cl6 H18 O39 -","- Bi6 Cl6 H18 O39 -","- Bi24 Cl24 H72 O156 -","4","1","","Sundvall, B.","Crystal Structure of Tetraoxotetrahydroxohexabismuth(III) Perchlorate Heptahydrate, Bi6 O4 (H O)4 (Cl O4)6 (H2 O)7: An X-ray and Neutron Diffraction Study","Inorganic Chemistry","1983","22","","1906","1912","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344267","13.621","","12.839","","13.954","","90","","90","","90","","2440.28","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Cr (N H3)4 O H)2 (S2 O6)2 (H2 O)4","","- Cr2 H34 N8 O18 S4 -","- Cr2 H34 N8 O18 S4 -","- Cr8 H136 N32 O72 S16 -","4","0.5","","Cline, S.J.; Larsen, S.; Hodgson, D.J.; Pedersen, E.; Kallesoe, S.","Low-Temperature Structural and Magnetic Characterization of the Chromium(III) Dimers Bis(mue-hydroxo)bis(tetraamminechromium(III))Dithionate Tetrahydrate and Bis(mue-hydroxo)bis(tetraamminechromium(III))Chloride Tetrahydrate,(Cr(N H3)...","Inorganic Chemistry","1983","22","","637","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344269","10.678","","10.005","","9.351","","90","","98.6","","90","","987.767","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Cr (N H3)4 O H)2 Cl4 (H2 O)4","","- Cl4 Cr2 H34 N8 O6 -","- Cl4 Cr2 H34 N8 O6 -","- Cl8 Cr4 H68 N16 O12 -","2","0.5","","Cline, S.J.; Hodgson, D.J.; Kallesoe, S.; Larsen, S.; Pedersen, E.","Low-Temperature Structural and Magnetic Characterization of the Chromium(III) Dimers Bis(mue-hydroxo)bis(tetraamminechromium(III))Dithionate Tetrahydrate and Bis(mue-hydroxo)bis(tetraamminechromium(III))Chloride Tetrahydrate,(Cr(N H3)...","Inorganic Chemistry","1983","22","","637","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344284","13.725","","5.672","","11.092","","90","","90","","90","","863.492","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mo Fe2 P12","","- Fe2 Mo P12 -","- Fe2 Mo P12 -","- Fe8 Mo4 P48 -","4","0.5","","Floerke, U.; Jeitschko, W.","Preparation, physical properties, and crystal structure of Mo Fe2 P12 and W Fe2 P12","Inorganic Chemistry","1983","22","","1736","1739","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344286","8.442","","13.106","","10.997","","90","","101.47","","90","","1192.42","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Zn (S (N S O)2)2 (As F6)2 (S O2)2","","- As2 F12 N4 O8 S8 Zn -","- As2 F11.9992 N4 O8 S8 Zn -","- As4 F23.9984 N8 O16 S16 Zn2 -","2","0.5","","Roesky, H.W.; Thomas, M.; Fuess, H.; Bats, J.W.","Preparation and crystal structure of Zn (S (N S O)2)2 (As F6)2 (S O2)2: a compound with a two-dimensional network through oxygen atoms","Inorganic Chemistry","1983","22","","2342","2343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4504828","55.313","0.001","7.919","0.001","9.818","0.001","90","","99.63","0.01","90","","4239.9","0.7","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 Fe -","- C24 H38 Fe -","- C192 H304 Fe8 -","8","1","","Wedeking, Katrin; Mu, Zhongcheng; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Chi, Lifeng; Fuchs, Harald","Tetradecylferrocene: ordered molecular array of an organometallic amphiphile in the crystal and in a two-dimensional assembled structure on a surface.","Langmuir : the ACS journal of surfaces and colloids","2006","22","7","3161","3165","10.1021/la0531594","","","0.71073","MoKα","","0.1079","0.0587","","","0.0986","0.1119","","","","","","1.017","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504829","4.681","0.008","5.665","0.01","44.65","0.08","88.29","0.03","88.9","0.04","78.03","0.03","1158","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","phosphoric acid didecyl ester","","","- C20 H43 O4 P -","- C20 H43 O4 P -","- C40 H86 O8 P2 -","2","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.2312","0.1894","","","0.4017","0.4197","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504830","4.693","0.002","5.663","0.003","51.99","0.02","89.212","0.013","88.506","0.013","78.08","0.009","1351.4","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","phosphoric acid didodecyl ester","","","- C24 H51 O4 P -","- C24 H51 O4 P -","- C48 H102 O8 P2 -","2","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.2153","0.1262","","","0.2909","0.3201","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504831","4.702","0.004","5.642","0.005","29.92","0.03","84.779","0.018","85.697","0.018","77.885","0.016","771.6","1.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","phosphoric acid ditetradecyl ester","","","- C28 H59 O4 P -","- C28 H59 O4 P -","- C28 H59 O4 P -","1","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.1619","0.1433","","","0.3556","0.3737","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504832","4.717","0.003","5.602","0.003","33.609","0.019","85.242","0.012","86.283","0.011","77.441","0.01","862.9","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","phosphoric acid dihexadecyl ester","","","- C32 H67 O4 P -","- C32 H67 O4 P -","- C32 H67 O4 P -","1","1","","Thünemann, Andreas F; Kurth, Dirk G.; Beinhoff, Matthias; Bienert, Ralf; Schulz, Burkhard","V-shaped crystalline structures of di-n-alkyl esters of phosphoric acid.","Langmuir : the ACS journal of surfaces and colloids","2006","22","13","5856","5861","10.1021/la0603572","","","0.71073","MoKα","","0.0784","0.0693","","","0.1984","0.2029","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504833","18.0259","0.0017","14.9021","0.0013","10.5521","0.0008","90","","97.917","0.003","90","","2807.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30.5 H28 Cl Fe N S4 -","- C30.5 H28 Cl Fe N S4 -","- C122 H112 Cl4 Fe4 N4 S16 -","4","2","","Byrne, Paul D.; Müller, Peter; Swager, Timothy M.","Conducting metallopolymers based on azaferrocene.","Langmuir : the ACS journal of surfaces and colloids","2006","22","25","10596","10604","10.1021/la061078h","","","0.71073","MoKα","","0.0703","0.0539","","","0.1136","0.1188","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4519269","11.1747","0.0004","7.5361","0.0003","17.8459","0.0007","90","","106.761","0.002","90","","1439.02","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H53 N O3 -","- C30.006 H53.014 N1.001 O3 -","- C60.012 H106.028 N2.002 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.54178","CuKα","","0.0457","0.0445","","","0.1228","0.125","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","272073","2022-01-16","15:32:23",""
"4519270","9.6884","0.0003","7.6904","0.0002","18.3154","0.0006","90","","100.544","0.002","90","","1341.6","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O3 -","- C28 H51 N O3 -","- C56 H102 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.0424","0.041","","","0.1109","0.1123","","","","","","1.084","","","","has coordinates,has Fobs","272074","2022-01-16","15:32:37",""
"4519271","11.0046","0.0003","7.5468","0.0002","17.3286","0.0005","90","","107.764","0.001","90","","1370.52","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N O3 -","- C29 H53 N O3 -","- C58 H106 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.54178","CuKα","","0.0451","0.0437","","","0.119","0.1209","","","","","","1.039","","","","has coordinates,has Fobs","272075","2022-01-16","15:32:51",""
"4519272","7.4151","0.0004","10.4713","0.0005","32.5598","0.0016","90","","90","","90","","2528.1","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C108 H196 N4 O12 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.0509","0.0449","","","0.1192","0.1233","","","","","","1.083","","","","has coordinates,has Fobs","272076","2022-01-16","15:33:07",""
"4519273","12.2848","0.0002","7.0415","0.0001","15.9198","0.0003","90","","109.277","0.001","90","","1299.91","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H51 N O4 -","- C27 H51 N O4 -","- C54 H102 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.028","0.0277","","","0.076","0.0763","","","","","","1.017","","","","has coordinates,has Fobs","272077","2022-01-16","15:33:20",""
"4519366","9.335","0.0019","5.768","0.0012","8.261","0.0016","90","","103.17","0.03","90","","433.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O -","- C12 H9 N O -","- C24 H18 N2 O2 -","2","0.5","","Kaltenegger, Martin; Delaive, Louis; Gali, Sai Manoj; Brocorens, Patrick; Werzer, Oliver; Riegler, Hans; Geerts, Yves Henri; Lazzaroni, Roberto; Resel, Roland; Liu, Jie","Molecular Packing of Phenoxazine: A Combined Single-Crystal/Crystal Structure Prediction Study","Crystal Growth & Design","2022","22","3","1548","1553","10.1021/acs.cgd.1c00691","","","0.7","synchrotron","","0.0587","0.0523","","","0.1518","0.1599","","","","","","1.072","","","","has coordinates,has disorder","273273","2022-03-03","22:09:36",""
"4519367","11.44","0.002","5.98","0.0012","12.43","0.003","90","","108.06","0.02","90","","808.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 O8 -","- C44 H40 O8 -","- C44 H40 O8 -","1","0.25","","Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A.","Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction","Crystal Growth & Design","2022","22","3","1533","1537","10.1021/acs.cgd.1c01378","","","0.97918","","","0.1971","0.1638","","","0.4169","0.4444","","","","","","1.752","","","","has coordinates","273274","2022-03-03","22:09:59",""
"4519368","10.83","0.002","5.86","0.0012","13.42","0.003","90","","108.32","0.02","90","","808.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 O8 -","- C44 H40 O8 -","- C44 H40 O8 -","1","0.25","","Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A.","Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction","Crystal Growth & Design","2022","22","3","1533","1537","10.1021/acs.cgd.1c01378","","","0.97918","","","0.2688","0.2226","","","0.5329","0.5647","","","","","","2.211","","","","has coordinates","273275","2022-03-03","22:10:16",""
"4519427","28.0367","0.0016","7.5296","0.0004","17.7558","0.001","90","","113.99","0.003","90","","3424.5","0.3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H64 N O8.5 -","- C34 H64 N O8.5 -","- C136 H256 N4 O34 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0651","0.0563","","","0.1396","0.1461","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","274927","2022-05-05","16:28:17",""
"4519428","13.9188","0.0002","7.9078","0.0001","14.5323","0.0002","90","","110.581","0.001","90","","1497.44","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H57 N O6 -","- C30 H57 N O6 -","- C60 H114 N2 O12 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0295","0.0288","","","0.0776","0.0783","","","","","","1.027","","","","has coordinates,has Fobs","274928","2022-05-05","16:28:33",""
"4519429","13.6675","0.0003","7.5914","0.0002","16.113","0.0003","90","","97.613","0.001","90","","1657.08","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H63 N O7 -","- C32 H63 N O7 -","- C64 H126 N2 O14 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0808","0.0802","","","0.223","0.2235","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","274929","2022-05-05","16:28:52",""
"4519430","10.2444","0.0002","7.6716","0.0002","18.0614","0.0004","90","","90.471","0.001","90","","1419.41","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H53 N O4 -","- C30 H53 N O4 -","- C60 H106 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0359","0.0344","","","0.0872","0.0883","","","","","","1.052","","","","has coordinates,has Fobs","274930","2022-05-05","16:29:03",""
"4519431","11.8383","0.0002","7.727","0.0001","17.0565","0.0003","90","","104.126","0.001","90","","1513.06","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H59 N O4 -","- C32 H59 N O4 -","- C64 H118 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0298","0.0291","","","0.0758","0.0765","","","","","","1.045","","","","has coordinates,has Fobs","274931","2022-05-05","16:29:15",""
"4519432","7.573","0.0003","11.0104","0.0004","36.2681","0.0014","90","","90","","90","","3024.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H59 N O6 -","- C30 H59 N O6 -","- C120 H236 N4 O24 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0374","0.036","","","0.0953","0.0967","","","","","","1.069","","","","has coordinates,has Fobs","274932","2022-05-05","16:29:28",""
"4519433","12.9687","0.0014","6.8993","0.0007","14.8695","0.0015","90","","106.707","0.006","90","","1274.3","0.2","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C54 H98 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.34139","GaKα","","0.1342","0.0748","","","0.1912","0.2374","","","","","","1.004","","","","has coordinates,has Fobs","274933","2022-05-05","16:39:22",""
"4519434","9.8247","0.0008","7.5533","0.0007","17.2646","0.0012","90","","96.125","0.005","90","","1273.87","0.18","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C54 H98 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0868","0.0586","","","0.1314","0.1487","","","","","","1.055","","","","has coordinates,has Fobs","274934","2022-05-05","16:39:33",""
"5000160","8.992","0.002","14.322","0.003","9.446","0.002","90","","90","","90","","1216.49","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O4 -","- C14 O4 -","- C56 O16 -","4","1","","Sax, M.; McMullan, R. K.","The crystal structure of dibenzoyl peroxide and the dihedral angle in covalent peroxides","Acta Crystallographica","1967","22","2","281","288","10.1107/S0365110X67000477","","","","","","","","","","","","","","","","","","","","","has coordinates","175365","2020-10-21","18:00:00",""
"5000281","10.252","0.002","22.074","0.006","6.417","0.001","90","","99.95","0.01","90","","1430.34","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 N3 O5 -","- C28 N3 O5 -","- C56 N6 O10 -","2","1","","Yamazaki, Mikio; Okuyama, Emi; Kobayashi, Makoto; Inoue, Hironao","The structure of paraherquamide, a toxic metabolite from penicillium paraherquei","Tetrahedron Letters","1981","22","2","135","136","10.1016/0040-4039(81)80168-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7053688","14.86","0.01","13.641","0.002","15.399","0.007","90","","103.81","0.02","90","","3031","3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H26 Mo N2 O7 P -","- C30 H26 Mo N2 O7 P -","- C120 H104 Mo4 N8 O28 P4 -","4","1","","Rancurel, Corinne; Sutter, Jean-Pascal; Le Hoerff, Thierry; Ouahab, Lahcène; Kahn, Olivier","First example of a metal(0) carbonyl complex with a paramagnetic nitronyl nitroxide-substituted triphenylphosphine ligand","New Journal of Chemistry","1998","22","12","1333","","10.1039/a808113a","","","0.71073","MoKα","","0.1332","0.0455","","","0.0938","0.118","","","","","","1.016","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7159663","13.7131","0.0003","15.4192","0.0003","18.7176","0.0003","83.5207","0.0015","73.4507","0.0016","69.2324","0.0018","3546.99","0.13","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H180 N14 O10 S4 -","- C136 H180 N14 O10 S4 -","- C136 H180 N14 O10 S4 -","1","0.5","","Takashima, Rikito; Aoki, Daisuke; Takahashi, Akira; Otsuka, Hideyuki","A thermally driven rotaxane-catenane interconversion with a dynamic bis(hindered amino) disulfide.","Organic & biomolecular chemistry","2024","22","5","927","931","10.1039/d3ob01693e","","x-ray","1.54184","CuKα","","0.0916","0.0727","","","0.2382","0.2579","","","","","","1.079","","","","has coordinates","289612","2024-02-04","12:27:11",""
"7159664","4.5378","0.0003","10.6153","0.0007","13.1018","0.0009","90","","91.716","0.003","90","","630.83","0.07","164","2","164","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-hydroxy-4-methylbenzo[e][1,2]oxaphosphinine 2-oxide","","- C14 H10 Cl O3 P -","- C14 H10 Cl O3 P -","- C28 H20 Cl2 O6 P2 -","2","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0281","0.0278","","","0.0711","0.0712","","","","","","1.138","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159665","6.4079","0.0003","6.8535","0.0003","22.6667","0.0011","90","","90","","90","","995.44","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-3,3-dimethyl-3H-benzo[d][1,2]oxaphosphole 2-oxide","","- C9 H13 O4 P -","- C9 H13 O4 P -","- C36 H52 O16 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0293","0.0285","","","0.0717","0.072","","","","","","1.066","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159666","10.4785","0.0005","12.0901","0.0006","12.1355","0.0006","71.222","0.002","65.046","0.002","64.73","0.002","1241.5","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(1-(2-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl)-4-(4-methoxyphenyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C30 H27 O5 P -","- C30 H27 O5 P -","- C60 H54 O10 P2 -","2","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0718","0.0465","","","0.1118","0.1206","","","","","","1.038","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159667","11.552","0.006","18.511","0.004","11.652","0.003","90","","107.119","0.016","90","","2381.3","1.5","135","2","135","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-(2-hydroxyphenyl)-1-(p-tolyl)ethyl)-4-(p-tolyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C30 H27 O3 P -","- C30 H27 O3 P -","- C120 H108 O12 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.1151","0.0574","","","0.1386","0.1483","","","","","","1.077","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159668","11.0159","0.0007","4.4255","0.0003","25.0968","0.0016","90","","92.518","0.003","90","","1222.31","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(p-tolyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C15 H13 O2 P -","- C15 H13 O2 P -","- C60 H52 O8 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0472","0.0433","","","0.1144","0.1162","","","","","","1.145","","","","has coordinates","290251","2024-03-04","20:39:27",""
"7159669","11.4101","0.0005","18.7328","0.0007","11.606","0.0004","90","","108.346","0.002","90","","2354.62","0.16","162","2","162","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-chlorophenyl)-2-(1-(4-chlorophenyl)-1-(2-hydroxyphenyl)ethyl)benzo[e][1,2]oxaphosphinine 2-oxide","","- C28 H21 Cl2 O3 P -","- C28 H21 Cl2 O3 P -","- C112 H84 Cl8 O12 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.1251","0.1086","","","0.2217","0.2281","","","","","","1.135","","","","has coordinates","290251","2024-03-04","20:39:27",""
"7159691","25.055","0.006","3.8926","0.0009","13.226","0.003","90","","90","","90","","1289.9","0.5","297","2","297","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H9 Cl O3 -","- C17 H9 Cl O3 -","- C68 H36 Cl4 O12 -","4","1","","Faraz, Simra; Ali, Ahmad; Taleb Khan, Abu","FeCl<sub>3</sub>-catalyzed regioselective ring-opening of aryl oxirane with 4-hydroxycoumarin for the synthesis of furo[3,2-<i>c</i>]coumarins.","Organic & biomolecular chemistry","2023","22","1","95","105","10.1039/d3ob01721d","","","0.71073","MoKα","","0.0842","0.0487","","","0.0744","0.0832","","","","","","1.142","","","","has coordinates","289608","2024-02-04","12:26:35",""
"7159694","10.6348","0.0003","14.9932","0.0005","15.9123","0.0004","83.694","0.002","73.596","0.002","73.516","0.002","2332.68","0.12","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","1+DSDB24C8","","- C44 H55 N2 O19 S2 -","- C44 H55 N2 O19 S2 -","- C88 H110 N4 O38 S4 -","2","1","","Kotera, Naoko; Montellano, Pilar; Catalán, Aldo C.; Carrasco-Ruiz, Anayeli; Cervantes, Ruy; Tiburcio, Jorge","Correlated translational motions in pseudo-rotaxane complexes controlled by a single chemical stimulus","Organic & Biomolecular Chemistry","2024","22","6","1135","1140","10.1039/D3OB01741A","","x-ray","0.71073","MoKα","","0.1798","0.1096","","","0.2926","0.3339","","","","","","1.047","","","","has coordinates,has disorder","290261","2024-03-04","20:41:03",""
"7159695","26.509","0.006","8.6693","0.0018","19.55","0.004","90","","102.969","0.005","90","","4378.3","1.6","293","2","293","2","","","","","","","SYNTHESIS","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 F6 N5 S -","- C23 H15 F6 N5 S -","- C184 H120 F48 N40 S8 -","8","1","","Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis","A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.","Organic & biomolecular chemistry","2023","22","1","114","119","10.1039/d3ob01826a","","x-ray","0.71073","MoKα","","0.1474","0.1085","","","0.1654","0.1844","","","","","","1.201","","","","has coordinates","289605","2024-02-04","12:26:08",""
"7159696","9.2259","0.0011","17.758","0.002","25.991","0.003","90","","95.635","0.004","90","","4237.6","0.9","293","2","293","2","","","","","","","SYNTHESIS","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Cl F6 N6 S -","- C39 H45 Cl F6 N6 S -","- C156 H180 Cl4 F24 N24 S4 -","4","1","","Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis","A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.","Organic & biomolecular chemistry","2023","22","1","114","119","10.1039/d3ob01826a","","x-ray","0.71073","MoKα","","0.1433","0.0879","","","0.2113","0.2645","","","","","","1.076","","","","has coordinates","289605","2024-02-04","12:26:08",""
"7159697","4.6598","0.0003","12.6674","0.0015","13.5783","0.0016","115.794","0.011","93.082","0.007","94.546","0.007","715.88","0.15","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","","Liu, Xiaoyu; Sun, Yaru; Hong, Shuang; Ji, Xia; Gao, Wei; Yuan, Haolin; Zhang, Yue; Lei, Bin; Tang, Liangfu; Fan, Zhijin","Synthesis of fungicidal morpholines and isochromenopyridinones <i>via</i> acid-catalyzed intramolecular reactions of isoindolinones.","Organic & biomolecular chemistry","2023","22","1","120","125","10.1039/d3ob01717f","","x-ray","0.71073","MoKα","","0.1115","0.0834","","","0.218","0.2424","","","","","","1.033","","","","has coordinates","289609","2024-02-04","12:26:48",""
"7159698","6.6228","0.0005","8.4131","0.0006","18.9386","0.0013","90","","93.381","0.006","90","","1053.39","0.13","136.2","0.3","136.2","0.3","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Liu, Xiaoyu; Sun, Yaru; Hong, Shuang; Ji, Xia; Gao, Wei; Yuan, Haolin; Zhang, Yue; Lei, Bin; Tang, Liangfu; Fan, Zhijin","Synthesis of fungicidal morpholines and isochromenopyridinones <i>via</i> acid-catalyzed intramolecular reactions of isoindolinones.","Organic & biomolecular chemistry","2023","22","1","120","125","10.1039/d3ob01717f","","x-ray","0.71073","MoKα","","0.1231","0.1122","","","0.219","0.2236","","","","","","1.023","","","","has coordinates","289609","2024-02-04","12:26:48",""
"7159702","7.1304","0.0002","10.9898","0.0003","20.539","0.0005","90","","90","","90","","1609.47","0.07","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Liang, Changxu; Hu, Chao; Nie, Pengpeng; Liu, Yuanfang; Liu, Jun; Du, Yuguo","Bioinspired synthesis and biological evaluation of <i>ent</i>-protulactones A and B.","Organic & biomolecular chemistry","2023","22","1","175","183","10.1039/d3ob01708g","","x-ray","0.71073","MoKα","","0.0431","0.0368","","","0.0948","0.0981","","","","","","1.045","","","","has coordinates","289606","2024-02-04","12:26:14",""
"7159704","17.3854","0.0019","7.5604","0.0008","20.364","0.002","90","","90","","90","","2676.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N4 O -","- C16 H6 N4 O -","- C128 H48 N32 O8 -","8","1","","Oh, Hyunjin; Kim, Ikyon","Catalyst-free assembly of a polyfunctionalized 1,2,4-triazole-fused N-heterocycle, 6-acylated pyrrolo[1,2-<i>a</i>][1,2,4]triazolo[5,1-<i>c</i>]pyrazine.","Organic & biomolecular chemistry","2024","22","2","320","336","10.1039/d3ob01747h","","","0.71073","MoKα","","0.0984","0.0738","","","0.2067","0.2302","","","","","","1.076","","","","has coordinates","289628","2024-02-04","12:29:34",""
"7159707","12.1123","0.0007","13.4106","0.0009","15.0272","0.0007","90.102","0.005","111.664","0.005","113.639","0.006","2045.7","0.3","153","70","153","70","","","","","","","","5","P -1","-P 1","2","","3-(2-bromophenyl)-1-cyclohexyl-4-(1H-indol-2-yl)-1H-pyrrole-2,5-dione","","- C10.67 H9.33 Br0.44 N0.89 O0.89 -","- C10.6667 H9.33333 Br0.444444 N0.888889 O0.888889 -","- C96 H84 Br4 N8 O8 -","9","4.5","","Bandehali-Naeini, Farzaneh; Tanbakouchian, Zahra; Farajinia-Lehi, Noushin; Mayer, Nicolas; Shiri, Morteza; Breugst, Martin","Two distinct protocols for the synthesis of unsymmetrical 3,4-disubstituted maleimides based on transition-metal catalysts.","Organic & biomolecular chemistry","2024","22","2","380","387","10.1039/d3ob01620j","","x-ray","0.71073","MoKα","","0.0941","0.0752","","","0.2439","0.283","","","","","","1.205","","","","has coordinates","289630","2024-02-04","12:29:46",""
"7159708","10.587","0.002","15.112","0.003","16.143","0.003","107.182","0.012","102.52","0.013","106.296","0.011","2238.3","0.8","140","","140","","","","","","","","","5","P -1","-P 1","2","","Compound 1a","","- C37 H25 F12 N7 O5 -","- C37 H25 F12 N7 O5 -","- C74 H50 F24 N14 O10 -","2","1","","Pradhan, Nyaya Prakash; Namdev, Kavthekar Rupesh; Srivastava, Aasheesh","Molecular clips with spatially proximal urea residues for efficient transmembrane co-transport of H<sup>+</sup>/Cl<sup>-</sup> ions.","Organic & biomolecular chemistry","2023","22","1","74","79","10.1039/d3ob01431b","","","0.71073","MoKα","","0.1494","0.0719","","","0.1872","0.2267","","","","","","1.014","","","","has coordinates,has disorder","289607","2024-02-04","12:26:23",""
"7159709","8.6773","0.0001","8.6773","0.0001","17.892","0.0005","90","","90","","90","","1347.19","0.04","93","","93","","","","","","","","","4","P 43","P 4cw","78","","(S)-3-[(R)-Bromo(4-methylphenyl)methyl]isobenzofuran-1(3H)-one","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Sugano, Masayuki; Inokuma, Tsubasa; Yamaoka, Yousuke; Yamada, Ken-Ichi","5-<i>exo</i>-Selective asymmetric bromolactonization of stilbenecarboxylic acids catalyzed by phenol-bearing chiral thiourea.","Organic & biomolecular chemistry","2024","22","9","1765","1769","10.1039/d3ob01895d","","x-ray","1.54184","CuKα","","0.0637","0.0635","","","0.1655","0.1657","","","","","","1.101","","","","has coordinates","290276","2024-03-04","20:43:34",""
"7159710","9.4004","0.0002","9.4572","0.0002","22.4551","0.0004","82.188","0.002","80.662","0.002","60.116","0.001","1704.38","0.06","295","2","295","","","","","","","","","6","P 1","P 1","1","","","","- C76 H88 N2 O8 P2 S2 -","- C76 H88 N2 O8 P2 S2 -","- C76 H88 N2 O8 P2 S2 -","1","1","","Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.","TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.","Organic & biomolecular chemistry","2024","22","3","538","549","10.1039/d3ob01891a","","","1.54186","CuKα","","0.0551","0.0477","","","0.1187","0.1272","","","","","","1.02","","","","has coordinates","289632","2024-02-04","12:30:00",""
"7159711","29.2","0.001","29.2","0.001","10.1029","0.0004","90","","90","","120","","7460.1","0.5","295","2","295","","","","","","","","","9","P 64","P 64","172","","","","- C39 H45 B F4 N O4 P Pd S -","- C39 H45 B F4 N O4 P Pd S -","- C234 H270 B6 F24 N6 O24 P6 Pd6 S6 -","6","1","","Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.","TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.","Organic & biomolecular chemistry","2024","22","3","538","549","10.1039/d3ob01891a","","","1.54186","CuKα","","0.2115","0.0544","","","0.1327","0.1613","","","","","","0.618","","","","has coordinates","289632","2024-02-04","12:30:00",""
"7159712","15.14881","0.00014","8.79337","0.00007","15.81288","0.00019","90","","112.272","0.0012","90","","1949.27","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C92 H76 N4 O12 S4 -","4","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0521","0.0469","","","0.1271","0.1333","","","","","","1.056","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159713","13.2109","0.0002","7.6302","0.0001","27.8997","0.0003","90","","90","","90","","2812.34","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N2 O6 -","- C16 H10 N2 O6 -","- C128 H80 N16 O48 -","8","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0521","0.0459","","","0.1236","0.14","","","","","","1.119","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159714","13.6603","0.0003","11.3987","0.0002","14.7403","0.0003","90","","106.075","0.002","90","","2205.46","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O6 S2 -","- C22 H24 N2 O6 S2 -","- C88 H96 N8 O24 S8 -","4","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0471","0.0407","","","0.1012","0.1049","","","","","","1.075","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159715","10.9621","0.0001","17.2319","0.0002","17.631","0.0002","90.89","0.001","108.06","0.001","105.668","0.001","3030.75","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O6 S2 -","- C34 H32 N2 O6 S2 -","- C136 H128 N8 O24 S8 -","4","2","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0364","0.0333","","","0.0894","0.0921","","","","","","1.02","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159716","22.29","0.002","11.2327","0.0011","22.56","0.002","90","","108.847","0.003","90","","5345.7","0.9","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N3 O3 S -","- C29 H29 N3 O3 S -","- C232 H232 N24 O24 S8 -","8","2","","Shit, Sudip; Choudhury, Chinmayee; Saikia, Anil K.","Nitrile stabilized synthesis of pyrrolidine and piperidine derivatives <i>via</i> tandem alkynyl aza-Prins-Ritter reactions.","Organic & biomolecular chemistry","2024","22","3","568","578","10.1039/d3ob01764h","","","0.71073","MoKα","","0.1221","0.0701","","","0.1815","0.2074","","","","","","1.016","","","","has coordinates","289633","2024-02-04","12:30:07",""
"7159717","13.5552","0.0004","7.1623","0.0003","23.1013","0.0008","90","","90","","90","","2242.82","0.14","298.98","","298.98","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C88 H128 O24 -","8","1","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.1525","0.0542","","","0.1149","0.2085","","","","","","1.151","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159718","5.2134","0.0006","9.7698","0.001","15.9903","0.0012","96.982","0.007","91.685","0.008","96.327","0.009","802.73","0.14","297.6","","297.6","","","","","","","","","3","P 1","P 1","1","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","2","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.2517","0.0827","","","0.1546","0.2148","","","","","","0.87","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159719","9.156","0.0002","10.2227","0.0002","17.7959","0.0004","81.85","0.002","88.334","0.002","87.904","0.002","1647.27","0.06","298.3","","298.3","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H52 O6 -","- C32 H52 O6 -","- C64 H104 O12 -","2","1","","Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.","Two-step, high-yielding total synthesis of antibiotic pyrones.","Organic & biomolecular chemistry","2024","22","3","554","560","10.1039/d3ob01923c","","x-ray","0.71073","MoKα","","0.1599","0.0884","","","0.2591","0.3129","","","","","","1.051","","","","has coordinates","289631","2024-02-04","12:29:53",""
"7159720","8.6562","0.0003","7.0369","0.0002","9.8957","0.0003","90","","97.796","0.001","90","","597.2","0.03","170","2","170","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H16 O Si -","- C13 H16 O Si -","- C26 H32 O2 Si2 -","2","0.5","","Zhang, Tao; Zhang, Cheng; Lu, Xiunan; Peng, Chengxing; Zhang, Yawei; Zhu, Xiong; Zhong, Guofu; Zhang, Jian","Synthesis of silyl indenes by ruthenium-catalyzed aldehyde- and acylsilane-enabled C-H alkylation/cyclization.","Organic & biomolecular chemistry","2024","22","3","466","471","10.1039/d3ob01699d","","","0.71073","MoKα","","0.0362","0.0338","","","0.0924","0.0947","","","","","","1.069","","","","has coordinates,has disorder","289635","2024-02-04","12:30:20",""
"7159721","5.7326","0.0005","16.7916","0.0019","14.3441","0.0012","90","","92.205","0.009","90","","1379.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl2 O S -","- C14 H12 Cl2 O S -","- C56 H48 Cl8 O4 S4 -","4","1","","Kumar, Saurabh; Chand, Shiv; Singh, Krishna Nand","Electro-oxidative coupling of Bunte salts with aryldiazonium tetrafluoroborates: a benign access to unsymmetrical sulfoxides.","Organic & biomolecular chemistry","2024","22","4","850","856","10.1039/d3ob01955a","","x-ray","1.54184","CuKα","","0.1063","0.0749","","","0.1896","0.2285","","","","","","1.0169","","","","has coordinates","289624","2024-02-04","12:29:02",""
"7159722","5.1341","0.0001","8.4181","0.0002","13.3376","0.0003","90","","93.235","0.001","90","","575.52","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N3 O7 -","- C9 H15 N3 O7 -","- C18 H30 N6 O14 -","2","1","","Persaud, Kevin E.; Sahu, Rajesh R.; Neary, Michelle C.; Kapdi, Anant R.; Lakshman, Mahesh K.","Two short approaches to the COVID-19 drug β-D-<i>N</i><sup>4</sup>-hydroxycytidine and its prodrug molnupiravir.","Organic & biomolecular chemistry","2024","22","4","735","740","10.1039/d3ob02039h","","","1.54178","CuKα","","0.0288","0.0281","","","0.0745","0.0747","","","","","","1.051","","","","has coordinates","289620","2024-02-04","12:28:23",""
"7159723","8.1168","0.0014","17.929","0.003","16.686","0.003","90","","94.685","0.006","90","","2420.1","0.7","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O4 S -","- C30 H25 N O4 S -","- C120 H100 N4 O16 S4 -","4","1","","Jain, Anshul; Kumari, Akanksha; Metre, Ramesh K.; Rana, Nirmal K.","Diastereoselective synthesis of <i>trans</i>-2,3-dihydroindoles <i>via</i> formal [4 + 1] annulation reactions of a sulfonium ylide.","Organic & biomolecular chemistry","2024","22","3","621","632","10.1039/d3ob01793a","","","0.71073","MoKα","","0.0527","0.0444","","","0.1426","0.1522","","","","","","1.188","","","","has coordinates","289634","2024-02-04","12:30:12",""
"7159724","9.1263","0.0001","10.1687","0.0002","19.2429","0.0003","90","","98.907","0.0005","90","","1764.26","0.05","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.0833","0.0491","","","0.1127","0.1301","","","","","","1.053","","","","has coordinates","289625","2024-02-04","12:29:09",""
"7159725","6.2516","0.0002","12.1242","0.0004","19.5002","0.0007","90","","91.0124","0.0009","90","","1477.8","0.09","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C64 H44 F12 N8 O4 -","4","2","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.1941","0.0743","","","0.1227","0.1574","","","","","","1.044","","","","has coordinates,has disorder","289625","2024-02-04","12:29:09",""
"7159726","13.9291","0.0003","8.5789","0.0002","15.4251","0.0003","90","","108.462","0.0008","90","","1748.38","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan","A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.","Organic & biomolecular chemistry","2024","22","4","714","719","10.1039/d3ob01932b","","","0.71073","MoKα","","0.1291","0.0598","","","0.1268","0.1561","","","","","","1.009","","","","has coordinates","289625","2024-02-04","12:29:09",""
"7159727","7.5355","0.0003","7.5626","0.0002","11.2958","0.0003","90","","103.257","0.003","90","","626.57","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C26 H36 O8 -","2","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0525","0.0493","","","0.1294","0.1341","","","","","","1.049","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159728","5.1299","0.0004","14.7848","0.001","9.1241","0.0006","90","","90.366","0.007","90","","692","0.08","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0482","0.0436","","","0.1038","0.1073","","","","","","1.054","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159729","8.5447","0.0004","10.2606","0.0005","12.5052","0.0005","90","","90","","90","","1096.38","0.09","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 S -","- C11 H12 O4 S -","- C44 H48 O16 S4 -","4","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0552","0.0405","","","0.0874","0.0998","","","","","","0.966","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159730","23.6044","0.0008","23.6044","0.0008","8.2487","0.0005","90","","90","","90","","4595.9","0.4","93.15","","93.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C256 H176 N16 O8 -","8","1","","Nakayama, Taku; Fujiki, Sayaka; Enda, Tomokatsu; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","A sequential reaction of picolinamide with benzaldehydes promoted by Pd(TFA)<sub>2</sub>: rapid access to 4,5-disubstituted 2-(pyridin-2-yl)oxazoles in <i>n</i>-octane.","Organic & biomolecular chemistry","2024","22","4","759","766","10.1039/d3ob01815f","","x-ray","0.71073","MoKα","","0.0973","0.0589","","","0.109","0.1203","","","","","","1.036","","","","has coordinates","289627","2024-02-04","12:29:28",""
"7159731","19.4774","0.0017","12.0444","0.0011","16.5411","0.0015","90","","106.097","0.003","90","","3728.3","0.6","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 F6 N6 -","- C46 H28 F6 N6 -","- C184 H112 F24 N24 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0913","0.0564","","","0.1309","0.1589","","","","","","1.05","","","","has coordinates,has disorder","289626","2024-02-04","12:29:17",""
"7159732","12.1412","0.0011","12.799","0.0009","12.1671","0.0007","90","","115.924","0.003","90","","1700.5","0.2","149","2","149","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.71 H2 N0.35 O0.12 -","- C2.70588 H2 N0.352941 O0.117647 -","- C92 H68 N12 O4 -","34","8.5","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0527","0.0451","","","0.1127","0.1206","","","","","","1.072","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159733","12.7425","0.001","13.5862","0.0011","10.3411","0.0007","90","","97.302","0.002","90","","1775.8","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N3 O2 -","- C24 H17 N3 O2 -","- C96 H68 N12 O8 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.0548","0.0358","","","0.0786","0.0908","","","","","","1.057","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159734","7.3575","0.0005","19.315","0.0015","12.3105","0.0009","90","","97.192","0.002","90","","1735.7","0.2","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","","Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman","Substituent-controlled regioselective arylation of carbazoles using dual catalysis.","Organic & biomolecular chemistry","2024","22","4","753","758","10.1039/d3ob01827j","","","0.71073","MoKα","","0.049","0.0369","","","0.093","0.1008","","","","","","1.02","","","","has coordinates","289626","2024-02-04","12:29:17",""
"7159735","19.9358","0.0004","15.8356","0.0003","15.2943","0.0003","90","","90","","90","","4828.34","0.16","180","","180","","","","","","","","","5","P b c n","-P 2n 2ab","60","Benzenemethanaminium, N,N,N-trimethyl-, (TB-5-11)-difluorotriphenylsilicate(1-)","Benzyltrimethylammonium difluorotriphenylsilicate","","- C28 H31 F2 N Si -","- C28 H31 F2 N Si -","- C224 H248 F16 N8 Si8 -","8","1","","Trojan, Michal; Kučnirová, Kateřina; Bouzková, Šárka; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Quaternary ammonium fluorides and difluorosilicates as nucleophilic fluorination reagents.","Organic & biomolecular chemistry","2024","22","5","1047","1056","10.1039/d3ob01875j","","","1.54178","CuKα","","0.0484","0.0389","","0.1095","0.0943","0.1095","","","","","","0.9978","","","","has coordinates","289614","2024-02-04","12:27:26",""
"7159736","6.8063","0.0009","14.985","0.002","17.161","0.003","90","","90","","90","","1750.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","","0.71073","MoKα","","0.1655","0.0759","","","0.1604","0.2049","","","","","","1.038","","","","has coordinates","289616","2024-02-04","12:27:40",""
"7159737","9.6568","0.0006","10.209","0.0006","13.0889","0.0011","87.571","0.006","71.911","0.007","80.248","0.005","1208.81","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","x-ray","1.54184","CuKα","","0.0795","0.0587","","","0.1734","0.192","","","","","","0.992","","","","has coordinates","289616","2024-02-04","12:27:48",""
"7159738","10.2824","0.0002","9.8025","0.0002","26.573","0.0005","90","","98.437","0.002","90","","2649.39","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Br Cl3 N O Ru -","- C25 H25 Br Cl3 N O Ru -","- C100 H100 Br4 Cl12 N4 O4 Ru4 -","4","1","","Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa","Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.","Organic & biomolecular chemistry","2024","22","5","998","1009","10.1039/d3ob01971c","","x-ray","1.54184","CuKα","","0.0591","0.0478","","","0.1227","0.1332","","","","","","1.057","","","","has coordinates,has disorder","289616","2024-02-04","12:27:49",""
"7159739","9.84","0.002","12.074","0.003","13.093","0.003","102.89","0.007","107.408","0.007","110.2","0.006","1297.2","0.5","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 F N2 O Si -","- C32 H25 F N2 O Si -","- C64 H50 F2 N4 O2 Si2 -","2","1","","Das, Krishna Kanta; Hajra, Alakananda","Silylation of 2<i>H</i>-indazoles by photoinduced hydrogen atom transfer catalysis.","Organic & biomolecular chemistry","2024","22","5","1034","1037","10.1039/d3ob01925j","","","0.71073","MoKα","","0.0765","0.0569","","","0.1785","0.2039","","","","","","1.461","","","","has coordinates","289611","2024-02-04","12:27:03",""
"7159740","4.9499","0.0003","13.8952","0.001","20.1686","0.0016","90","","90","","90","","1387.19","0.17","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 S2 -","- C13 H14 N2 O2 S2 -","- C52 H56 N8 O8 S8 -","4","1","","Wang, Peifeng; Li, Shan; Wen, Huiling; Lei, Yin; Huang, Shujuan; Wang, Zixiu; Su, Jialong; Guan, Wenxiang; Lei, Jian","Thiosuccinimide enabled S-N bond formation to access <i>N</i>-sulfenylated sulfonamide derivatives with synthetic diversity.","Organic & biomolecular chemistry","2024","22","5","990","997","10.1039/d3ob01848b","","x-ray","1.54184","CuKα","","0.1147","0.1028","","","0.2746","0.2893","","","","","","1.069","","","","has coordinates","289610","2024-02-04","12:26:58",""
"7159741","9.9278","0.0003","16.1864","0.0004","12.2047","0.0003","90","","110.377","0.001","90","","1838.51","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F3 N O4 S -","- C19 H18 F3 N O4 S -","- C76 H72 F12 N4 O16 S4 -","4","1","","Gommenginger, Clément; Hourtoule, Maxime; Menghini, Marco; Miesch, Laurence","Metal free regio - and stereoselective semireduction of CF<sub>3</sub>-substituted <i>N</i>-allenamides.","Organic & biomolecular chemistry","2024","22","5","940","944","10.1039/d3ob01859h","","","0.71073","MoKα","","0.0414","0.0379","","","0.1034","0.107","","","","","","1.012","","","","has coordinates","289619","2024-02-04","12:28:18",""
"7159742","12.664","0.006","4.767","0.002","27.831","0.013","90","","103.124","0.011","90","","1636.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F6 N3 -","- C17 H11 F6 N3 -","- C68 H44 F24 N12 -","4","1","","Hazarika, Roktopol; Dutta, Sanghamitra; Sarmah, Samprity; Hazarika, Priyanuj Krishnann; Singh, Kuldeep; Kumar, Arvind; Sarma, Bipul; Sarma, Diganta","PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.","Organic & biomolecular chemistry","2024","22","4","694","698","10.1039/d3ob01738a","","","0.71073","MoKα","","0.0762","0.0458","","","0.096","0.11","","","","","","1.003","","","","has coordinates","289623","2024-02-04","12:28:56",""
"7159743","9.262","0.002","9.837","0.002","23.332","0.005","94.658","0.006","96.469","0.006","116.368","0.006","1871.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H55 Ag N O3 P2 -","- C36 H55 Ag N O3 P2 -","- C72 H110 Ag2 N2 O6 P4 -","2","1","","Hazarika, Roktopol; Dutta, Sanghamitra; Sarmah, Samprity; Hazarika, Priyanuj Krishnann; Singh, Kuldeep; Kumar, Arvind; Sarma, Bipul; Sarma, Diganta","PCy<sub>3</sub>-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.","Organic & biomolecular chemistry","2024","22","4","694","698","10.1039/d3ob01738a","","","0.71073","MoKα","","0.0705","0.0511","","","0.1284","0.1406","","","","","","1.067","","","","has coordinates,has disorder","289623","2024-02-04","12:28:56",""
"7159744","8.8245","0.0007","12.584","0.001","17.05","0.0014","78.499","0.002","83.899","0.002","89.971","0.002","1844.4","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Br N3 O2 -","- C23 H16 Br N3 O2 -","- C92 H64 Br4 N12 O8 -","4","2","","Gogoi, Abhijit; Mukhopadhyay, Subhamoy; Chouhan, Raju; Das, Sajal Kumar","Synthesis of benzimidazole-fused 1,4-benzoxazepines and benzosultams spiro-connected to a 2-oxindole core <i>via</i> a tandem epoxide-opening/S<sub>N</sub>Ar approach.","Organic & biomolecular chemistry","2024","22","2","353","363","10.1039/d3ob01613g","","","0.71073","MoKα","","0.054","0.0455","","","0.1079","0.1131","","","","","","1.065","","","","has coordinates","289629","2024-02-04","12:29:41",""
"7159745","11.3157","0.0015","17.7","0.003","12.6167","0.0018","90","","111.045","0.004","90","","2358.4","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O3.97 S0.98 -","- C28 H22 N2 O3.966 S0.983 -","- C112 H88 N8 O15.864 S3.932 -","4","1","","Gogoi, Abhijit; Mukhopadhyay, Subhamoy; Chouhan, Raju; Das, Sajal Kumar","Synthesis of benzimidazole-fused 1,4-benzoxazepines and benzosultams spiro-connected to a 2-oxindole core <i>via</i> a tandem epoxide-opening/S<sub>N</sub>Ar approach.","Organic & biomolecular chemistry","2024","22","2","353","363","10.1039/d3ob01613g","","x-ray","0.71073","MoKα","","0.1113","0.0485","","","0.1047","0.127","","","","","","0.915","","","","has coordinates,has disorder","289629","2024-02-04","12:29:41",""
"7159746","26.5945","0.0008","6.1407","0.0002","13.3679","0.0004","90","","103.498","0.001","90","","2122.79","0.11","101","","101","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N O4 S -","- C22 H24 Br N O4 S -","- C88 H96 Br4 N4 O16 S4 -","4","1","","Li, Ping; Du, Zhongjian; Wu, Baofeng; Zhao, Xin; You, Yang'en","Highly effective and selective FeBr<sub>3</sub>-promoted deuterium bromination/cyclization of 1,<i>n</i>-enynes.","Organic & biomolecular chemistry","2024","22","5","959","964","10.1039/d3ob01778h","","x-ray","1.54178","CuKα","","0.0373","0.037","","","0.0929","0.093","","","","","","1.108","","","","has coordinates","289617","2024-02-04","12:27:58",""
"7159747","24.3597","0.0008","6.0092","0.0002","13.7493","0.0005","90","","97.85","0.002","90","","1993.79","0.12","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Br2 N O2 S -","- C20 H21 Br2 N O2 S -","- C80 H84 Br8 N4 O8 S4 -","4","1","","Li, Ping; Du, Zhongjian; Wu, Baofeng; Zhao, Xin; You, Yang'en","Highly effective and selective FeBr<sub>3</sub>-promoted deuterium bromination/cyclization of 1,<i>n</i>-enynes.","Organic & biomolecular chemistry","2024","22","5","959","964","10.1039/d3ob01778h","","x-ray","1.54178","CuKα","","0.0294","0.0293","","","0.0734","0.0734","","","","","","1.221","","","","has coordinates","289617","2024-02-04","12:28:06",""
"7159748","5.5266","0.0001","12.2496","0.0003","21.7057","0.0005","90","","90","","90","","1469.45","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Qiu, Kongxi; Wu, Kaifu; Ma, Haowen; Ao, Yunlin; Zhou, Wei; Cai, Qian","A transition-metal-free azide–alkyne cycloaddition/hydroamination cascade reaction for the construction of triazole-fused piperazin-2-ones","Organic & Biomolecular Chemistry","2024","22","6","1176","1180","10.1039/D3OB01999C","","x-ray","1.54184","CuKα","","0.0341","0.0318","","","0.081","0.0828","","","","","","1.032","","","","has coordinates","290259","2024-03-04","20:40:46",""
"7159749","41.29","0.03","8.552","0.007","23.83","0.02","90","","113.027","0.016","90","","7744","11","301","2","301","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H31 Br4 N3 -","- C44 H31 Br4 N3 -","- C352 H248 Br32 N24 -","8","1","","Sharma, Akrti; Kaur, Gurpreet; Ravikanth, Mangalampalli","Synthesis of unsymmetrical 2,3,7,8-tetrabromo <i>meso</i>-5,10,11,16-tetraaryl- triphyrin(2.1.1) and its use in the synthesis of sterically crowded 2,3,5,7,8,10,11,16-octaarylated triphyrin(2.1.1)s.","Organic & biomolecular chemistry","2024","22","4","838","849","10.1039/d3ob01886e","","","0.71073","MoKα","","0.1683","0.0586","","","0.097","0.1273","","","","","","0.994","","","","has coordinates","289621","2024-02-04","12:28:36",""
"7159754","16.5325","0.0005","5.5611","0.0002","19.0631","0.0006","90","","110.6","0.004","90","","1640.58","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C76 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Pin-Hsien","Synthesis of 4-sulfonyl-1,7-diesters <i>via</i> K<sub>2</sub>CO<sub>3</sub>-mediated alkylative debenzoylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with acrylates.","Organic & biomolecular chemistry","2024","22","6","1194","1204","10.1039/d3ob01703f","","x-ray","0.71073","MoKα","","0.0507","0.039","","","0.0973","0.1031","","","","","","1.057","","","","has coordinates","290264","2024-03-04","20:41:48",""
"7159755","6.3968","0.0005","15.9612","0.0014","4.3338","0.0004","90","","100.453","0.003","90","","435.14","0.07","100","2","100","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- C5 H5 O2 -","- C5 H5 O2 -","- C20 H20 O8 -","4","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.035","0.0306","","","0.082","0.0858","","","","","","1.101","","","","has coordinates","289613","2024-02-04","12:27:19",""
"7159756","8.6985","0.0011","9.1415","0.001","32.062","0.004","90","","94.221","0.005","90","","2542.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Br O10 -","- C28 H29 Br O10 -","- C112 H116 Br4 O40 -","4","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.0743","0.0657","","","0.1458","0.1498","","","","","","1.13","","","","has coordinates","289613","2024-02-04","12:27:20",""
"7159757","12.153","0.002","12.656","0.002","16.822","0.003","103.366","0.006","102.402","0.006","90.075","0.006","2455","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H60 O20 -","- C56 H60 O20 -","- C112 H120 O40 -","2","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.1088","0.0974","","","0.2482","0.2579","","","","","","1.061","","","","has coordinates","289613","2024-02-04","12:27:20",""
"7159758","10.229","0.002","12.381","0.003","20.06","0.004","90","","98.934","0.007","90","","2509.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.24 H2.4 N0 O0.88 -","- C2.24 H2.4 O0.88 -","- C112 H120 O44 -","50","12.5","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.04","0.0361","","","0.0977","0.1011","","","","","","1.043","","","","has coordinates","289613","2024-02-04","12:27:20",""
"7159759","4.3756","0.0004","10.0848","0.0009","14.3422","0.0012","90","","98.393","0.008","90","","626.1","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","11-methylbenzo[a]phenazine","","- C17 H12 N2 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0662","0.0373","","","0.0967","0.1122","","","","","","1.01","","","","has coordinates,has disorder","290266","2024-03-04","20:42:08",""
"7159760","16.013","0.002","4.6349","0.0007","16.5622","0.0019","90","","96.23","0.013","90","","1222","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-bromobenzo[a]phenazine","","- C16 H9 Br N2 -","- C16 H9 Br N2 -","- C64 H36 Br4 N8 -","4","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0882","0.0723","","","0.1744","0.1919","","","","","","1.109","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159761","9.5508","0.0006","4.7677","0.0003","12.4996","0.0009","90","","103.508","0.007","90","","553.43","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-chloro-2-phenylquinoxaline","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C28 H18 Cl2 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0427","0.0295","","","0.0539","0.0573","","","","","","1.1208","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159762","9.6512","0.0005","4.9125","0.0002","12.4349","0.0009","90","","104.633","0.006","90","","570.43","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C28 H18 Br2 N4 -","2","1","","Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh","Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines","Organic & Biomolecular Chemistry","2024","22","6","1167","1171","10.1039/D3OB02028B","","x-ray","0.71073","MoKα","","0.0338","0.024","","","0.04","0.0419","","","","","","1.0575","","","","has coordinates","290266","2024-03-04","20:42:09",""
"7159763","7.3206","0.0004","9.0166","0.0004","16.8696","0.0008","90","","97.364","0.005","90","","1104.33","0.09","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C48 H58 N2 O4 S2 -","2","1","","Antony Haritha Mercy, A.; Padma Priya, V. R.; Hariprasad, R.; Gayathri, K.; Ravindra, S.; Chandra Nandi, Ganesh; Kataria, Ramesh","Facile synthesis of <i>N</i>-(α-furanyl) alkyl sulfoximines <i>via</i> gold catalyzed Michael addition/cyclization of enynones and sulfoximines.","Organic & biomolecular chemistry","2024","22","5","945","949","10.1039/d3ob01631e","","x-ray","0.71073","MoKα","","0.0615","0.0426","","","0.0869","0.0956","","","","","","0.961","","","","has coordinates","289618","2024-02-04","12:28:12",""
"7159764","9.6137","0.0019","18.354","0.003","18.491","0.003","61.325","0.017","89.722","0.015","89.85","0.015","2862.5","1","293","","293","","","","","","","","","5","P -1","-P 1","2","","C34H28BrN3O2","","- C34 H28 Br N3 O2 -","- C34 H28 Br N3 O2 -","- C136 H112 Br4 N12 O8 -","4","2","","Dalal, Arup; Bodak, Subhankar; Babu, Srinivasarao Arulananda","Picolinamide-assisted ortho-C–H functionalization of pyrenylglycine derivatives using aryl iodides","Organic & Biomolecular Chemistry","2024","22","6","1279","1298","10.1039/D3OB01731A","","x-ray","0.71073","MoKα","","0.1263","0.0597","","","0.1582","0.2088","","","","","","1","","","","has coordinates","290265","2024-03-04","20:41:53",""
"7159765","10.982","0.002","15.999","0.003","21.423","0.004","90","0.03","90","0.03","90","0.03","3764","1.2","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 B O4 P -","- C44 H50 B O4 P -","- C176 H200 B4 O16 P4 -","4","1","","Dai, Zhenyun; Xu, Chenyong; Tian, Rongqiang; Duan, Zheng","Towards tetrasubstituted furans through rearrangement and cyclodimerization of acetylenic ketones","Organic & Biomolecular Chemistry","2024","22","6","1172","1175","10.1039/D3OB02036C","","","0.71073","MoKα","","0.0666","0.0466","","","0.1069","0.1184","","","","","","1.0453","","","","has coordinates","290262","2024-03-04","20:41:34",""
"7159766","20.6011","0.0003","21.488","0.0004","16.3102","0.0003","90","","105.866","0.001","90","","6945.1","0.2","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H62 Cl2 Cu2 O4 P2 -","- C84 H62 Cl2 Cu2 O4 P2 -","- C336 H248 Cl8 Cu8 O16 P8 -","4","1","","Dai, Zhenyun; Xu, Chenyong; Tian, Rongqiang; Duan, Zheng","Towards tetrasubstituted furans through rearrangement and cyclodimerization of acetylenic ketones","Organic & Biomolecular Chemistry","2024","22","6","1172","1175","10.1039/D3OB02036C","","","0.71073","MoKα","","0.0482","0.0392","","","0.1331","0.1448","","","","","","1.036","","","","has coordinates","290262","2024-03-04","20:41:34",""
"7159767","7.6579","0.001","13.884","0.0019","14.998","0.002","87.216","0.003","89.61","0.004","83.982","0.003","1584","0.4","297","2","297","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 O4 S4 -","- C38 H28 O4 S4 -","- C76 H56 O8 S8 -","2","1","","Ali, Ahmad; Faraz, Simra; Khan, Abu Taleb","l-Proline-catalysed synthesis of 2-aryl-2H,5H-thiopyrano[2,3-b] thiochromen-5-ones from 4-hydroxydithiocoumarins and cinnamaldehyde derivatives","Organic & Biomolecular Chemistry","2024","22","7","1426","1433","10.1039/D3OB02051G","","x-ray","0.71073","MoKα","","0.0513","0.0426","","","0.1016","0.1087","","","","","","1.045","","","","has coordinates","290268","2024-03-04","20:42:33",""
"7159768","39.383","0.003","6.2918","0.0005","17.9687","0.0014","90","","107.702","0.004","90","","4241.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-(3-morpholino-2,2-diphenyl-2,3-dihydrobenzol[b][1,4]dioxin-6-yl)ethan-1-ol","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C208 H216 N8 O32 -","8","1","","Neudorffer, Anne; Deschamps, Patrick; Largeron, Martine; Deguin, Brigitte","An electrochemical access to 2-amino-2,3-dihydro-1,4-benzodioxanes derived from hydroxytyrosol.","Organic & biomolecular chemistry","2024","22","5","1057","1063","10.1039/d3ob01858j","","","0.71073","MoKα","","0.2139","0.1204","","","0.254","0.2906","","","","","","1.04","","","","has coordinates,has disorder","289615","2024-02-04","12:27:32",""
"7159769","6.0428","0.0011","20.506","0.004","9.995","0.002","90","","106.928","0.006","90","","1184.9","0.4","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Arumugam, Ajithkumar; Senadi, Gopal Chandru","Visible-light photocatalyzed C–N bond activation of tertiary amines: a three-component approach to synthesize quinazolines","Organic & Biomolecular Chemistry","2024","22","6","1245","1253","10.1039/D3OB02067C","","","0.71073","MoKα","","0.0465","0.0401","","","0.0968","0.1009","","","","","","1.0588","","","","has coordinates","290260","2024-03-04","20:40:56",""
"7159770","5.7333","0.0003","15.4063","0.0008","16.4742","0.0009","90","","93.99","0.002","90","","1451.62","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Jamis-Oliva, Omar; López, Roger; Galdámez, Antonio; Gallardo-Fuentes, Sebastián; Vilches-Herrera, Marcelo","Non-covalent interactions in the diastereoselective synthesis of cis-2,3-dihydrobenzofurans: experimental and computational studies","Organic & Biomolecular Chemistry","2024","22","7","1441","1446","10.1039/D3OB02070C","","","0.71073","MoKα","","0.2107","0.0688","","","0.1209","0.1577","","","","","","1.005","","","","has coordinates","290271","2024-03-04","20:42:55",""
"7159771","20.022","0.0003","11.6268","0.0002","22.3898","0.0003","90","","107.063","0.001","90","","4982.74","0.13","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O2 S3 -","- C26 H23 N3 O2 S3 -","- C208 H184 N24 O16 S24 -","8","1","","Qin, Hong; Chen, Feng; Du, Jinze; Yang, Xiaobing; Huang, Yiping; Zhu, Kai; Yue, Changhai; Fang, Zheng; Guo, Kai","Thiocyanate promoted difunctionalization and cyclization of unsaturated C–C bonds to construct 1-sulfur-2-nitrogen-functionalized alkenes and 2-thiocyanate indolines","Organic & Biomolecular Chemistry","2024","22","6","1213","1218","10.1039/D3OB01864D","","","1.34139","GaKα","","0.0386","0.0334","","","0.0809","0.0845","","","","","","1.031","","","","has coordinates","290263","2024-03-04","20:41:41",""
"7159772","13.7697","0.0004","15.4363","0.0005","14.6704","0.0005","90","","96.138","0.003","90","","3100.36","0.17","150","0.1","150","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.0956","0.063","","","0.1677","0.184","","","","","","1.056","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159773","11.2461","0.0003","11.4386","0.0004","15.5025","0.0005","92.762","0.003","99.839","0.003","103.088","0.003","1906","0.11","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C46.67 H40 Cl2 O2 -","- C46.6667 H40 Cl2 O2 -","- C93.3334 H80 Cl4 O4 -","2","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.0897","0.0667","","","0.1694","0.181","","","","","","1.052","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159774","17.9449","0.0007","9.9148","0.0004","22.899","0.0009","90","","103.799","0.004","90","","3956.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H44 O2.25 -","- C48.5 H44 O2.25 -","- C194 H176 O9 -","4","1","","Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori","Controlling helicene's pitch by molecular tethering","Organic & Biomolecular Chemistry","2024","22","7","1365","1368","10.1039/D3OB02075D","","x-ray","0.71073","MoKα","","0.1273","0.0791","","","0.2177","0.2474","","","","","","1.002","","","","has coordinates,has disorder","290267","2024-03-04","20:42:26",""
"7159775","12.9798","0.0005","8.3982","0.0003","18.9108","0.0008","90","","104.113","0.0019","90","","1999.19","0.14","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br Cl N2 O2 -","- C23 H18 Br Cl N2 O2 -","- C92 H72 Br4 Cl4 N8 O8 -","4","1","","Shirisha, Thangellapally; Majhi, Subir; Balasubramanian, Sridhar; Kashinath, Dhurke","Metal-free C(sp3)–H functionalization (C–C and C–N bond formation) of 1,2,3,4-tetrahydroacridines using deep eutectic solvents as catalyst and reaction medium","Organic & Biomolecular Chemistry","2024","22","7","1434","1440","10.1039/D3OB01752D","","","0.71073","MoKα","","0.0842","0.0434","","","0.0986","0.1175","","","","","","1.012","","","","has coordinates","290269","2024-03-04","20:42:38",""
"7159776","17.2259","0.0002","19.8037","0.0002","7.8338","0.0001","90","","94.126","0.001","90","","2665.47","0.05","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N O6 -","- C27 H24 N O6 -","- C108 H96 N4 O24 -","4","1","","Komogortsev, Andrey N.; Melekhina, Valeriya G.; Lichitskii, Boris V.","Anionic photochemical rearrangement of 3-hydroxypyran-4-ones bearing oxazol-2-one fragment","Organic & Biomolecular Chemistry","2024","22","8","1686","1692","10.1039/D3OB01957H","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1347","0.1377","","","","","","1.041","","","","has coordinates","290254","2024-03-04","20:39:51",""
"7159777","14.9897","0.0004","4.8849","0.0001","21.3648","0.0005","90","","107.901","0.003","90","","1488.66","0.07","297.69","0.1","297.69","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Cl2 N3 O -","- C17 H11 Cl2 N3 O -","- C68 H44 Cl8 N12 O4 -","4","1","","Zhang, Xu; Wei, Meng-Yan; Su, Jun-Cheng; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Synthesis of 4-(trichloromethyl)pyrido[2′,1′:3,4]pyrazino[2,1-b]quinazolinones through a cyclized dearomatization and trichloromethylation cascade strategy","Organic & Biomolecular Chemistry","2024","22","7","1386","1390","10.1039/D3OB02084C","","x-ray","1.54184","CuKα","","0.0464","0.0365","","","0.0964","0.1003","","","","","","1.061","","","","has coordinates","290270","2024-03-04","20:42:48",""
"7159778","9.7289","0.0007","11.5281","0.0009","13.9318","0.001","90","","90","","90","","1562.5","0.2","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Battula, Shravani; Kothuri, Pranay; Bhumannagari, Haripriya; Nayani, Kiranmai","Decarboxylative [3 + 2] cycloaddition of propargyl cyclic carbonates with <i>C</i>,<i>O</i>-bis(nucleophile)s to access dihydrofuro[3,2-<i>c</i>]coumarins and dihydronaphtho[1,2-<i>b</i>]furans with quaternary center.","Organic & biomolecular chemistry","2024","22","8","1671","1675","10.1039/d3ob01893h","","","0.71073","MoKα","","0.0492","0.0391","","","0.1016","0.1088","","","","","","1.045","","","","has coordinates","290253","2024-03-04","20:39:45",""
"7159779","11.15","0.01","12.826","0.011","14.113","0.012","70.08","0.015","84.051","0.016","76.432","0.015","1844","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 F3 N2 O2 -","- C21 H19 F3 N2 O2 -","- C84 H76 F12 N8 O8 -","4","2","","Zhang, Zhongyi; Zhou, Yaqin; Wang, Jiehui; Zhang, Yicheng; Wang, Lei; Liu, Jie; Zhou, Chao; Wang, Min; Li, Pinhua","Radical relay cyclization/C–C bond formation of allyloxy-tethered aryl iodides with quinoxalin-2(1H)-ones via polysulfide anion photocatalysis","Organic & Biomolecular Chemistry","2024","22","8","1708","1713","10.1039/D3OB01978K","","","0.71073","MoKα","","0.1545","0.0841","","","0.1624","0.1917","","","","","","1.053","","","","has coordinates","290256","2024-03-04","20:40:08",""
"7159780","7.7589","0.0004","10.0726","0.0007","18.9645","0.001","90","","95.207","0.005","90","","1476","0.15","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N O3 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","x-ray","0.71073","MoKα","","0.0845","0.0718","","","0.1837","0.1897","","","","","","1.078","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159781","8.386","0.0002","8.637","0.0002","12.3414","0.0003","103.452","0.002","95.93","0.002","103.91","0.002","831.78","0.04","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","x-ray","0.71073","MoKα","","0.05","0.0403","","","0.1022","0.1077","","","","","","1.106","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159782","36.9306","0.0009","36.9306","0.0009","6.4911","0.0002","90","","90","","120","","7666.9","0.4","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C378 H324 O72 -","18","1","","Chang, Meng-Yang; Lee, Yan-Ling","One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.","Organic & biomolecular chemistry","2024","22","8","1646","1653","10.1039/d4ob00016a","","","0.71073","MoKα","","0.055","0.0466","","","0.1242","0.1294","","","","","","1.067","","","","has coordinates","290257","2024-03-04","20:40:17",""
"7159783","8.3756","0.0001","10.9149","0.0002","23.507","0.0004","90","","95.279","0.002","90","","2139.87","0.06","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C104 H80 N8 O24 -","4","1","","Paramonova, Polina; Eliseev, Ilia; Dar'in, Dmitry; Bakulina, Olga","Imines with rare α-heteroatom substituted amine components generated in situ via the Staudinger/aza-Wittig tandem reaction and their application in multicomponent reactions","Organic & Biomolecular Chemistry","2024","22","8","1733","1744","10.1039/D3OB01832F","","","1.54184","CuKα","","0.0534","0.0434","","","0.1147","0.1225","","","","","","1.0576","","","","has coordinates","290255","2024-03-04","20:40:02",""
"7159784","7.0783","0.0007","7.7116","0.0007","10.234","0.001","84.195","0.004","86.746","0.004","82.03","0.003","549.87","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C24 H18 N6 O4 -","2","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0463","0.0406","","","0.0926","0.0959","","","","","","1.059","","","","has coordinates","290252","2024-03-04","20:39:37",""
"7159785","7.879","0.0003","12.9879","0.0004","25.3279","0.0009","90","","90","","90","","2591.85","0.16","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.047","0.0394","","","0.0979","0.1029","","","","","","1.068","","","","has coordinates","290252","2024-03-04","20:39:38",""
"7159786","17.0247","0.0018","8.9614","0.0011","13.2287","0.0012","90","","90","","90","","2018.2","0.4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N6 O4 -","- C22 H16 N6 O4 -","- C88 H64 N24 O16 -","4","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0308","0.03","","","0.0781","0.0789","","","","","","1.043","","","","has coordinates","290252","2024-03-04","20:39:39",""
"7159787","15.4292","0.0012","9.9284","0.0008","17.7983","0.0016","90","","113.305","0.003","90","","2504","0.4","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N6 O5 -","- C28 H26 N6 O5 -","- C112 H104 N24 O20 -","4","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.0496","0.0404","","","0.0996","0.1032","","","","","","1.038","","","","has coordinates","290252","2024-03-04","20:39:39",""
"7159788","12.7714","0.0017","13.5757","0.0017","14.5009","0.0019","100.594","0.004","108.28","0.004","94.426","0.004","2322","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 F6 N12 O6 S -","- C44 H46 F6 N12 O6 S -","- C88 H92 F12 N24 O12 S2 -","2","1","","Senhorães, Nádia R.; Silva, Bruna F.; Sousa, Raquel; Leite, Bruna P.; Gonçalves, Jorge M.; Almeida Paz, Filipe A.; Pereira-Wilson, Cristina; Dias, Alice M.","Synthesis of 6,8-diaminopurines via acid-induced cascade cyclization of 5-aminoimidazole precursors and preliminary anticancer evaluation","Organic & Biomolecular Chemistry","2024","22","7","1500","1513","10.1039/D3OB01985C","","","0.71073","MoKα","","0.1334","0.0857","","","0.224","0.2585","","","","","","1.041","","","","has coordinates","290272","2024-03-04","20:43:01",""
"7159789","10.9241","0.001","18.1857","0.0019","11.7611","0.0013","90","","115.93","0.002","90","","2101.3","0.4","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O3 -","- C27 H22 O3 -","- C108 H88 O12 -","4","1","","Fan, Jian; Zu, Yanhong; Zheng, Zhimin; Song, Lulu; Wang, Yating; Zhou, Zhou; Liu, Yujun; Xu, Shuwen","A silver-mediated radical process of β-keto sulfones for the synthesis of 2,3-diacyl furans","Organic & Biomolecular Chemistry","2024","22","9","1770","1774","10.1039/D3OB02079G","","x-ray","0.71073","MoKα","","0.1124","0.0539","","","0.1039","0.1286","","","","","","1.017","","","","has coordinates","290278","2024-03-04","20:43:47",""
"7159790","8.3993","0.0005","19.2977","0.0009","11.0438","0.0006","90","","107.107","0.006","90","","1710.86","0.17","298","","298","","","","","","","","","4","P -1","-P 1","2","","none","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","2","","Ghatak, Trisha; Shah, Chandan; Althagafi, Ismail; Giri, Nand Gopal; Nath, Mahendra; Pratap, Ramendra","Iodine/DMSO-mediated one-pot access towards 1-aryl-2-(pyrazol-5-yl)ethane-1,2-diones via a domino reaction from functionalized pent-2-ene-1,5-diones","Organic & Biomolecular Chemistry","2024","22","9","1859","1870","10.1039/D3OB01997G","","","0.71073","MoKα","","0.0958","0.0492","","","0.1181","0.1347","","","","","","1.039","","","","has coordinates","290275","2024-03-04","20:43:28",""
"7159791","18.8607","0.0006","10.4771","0.0003","36.3667","0.0011","90","","90.447","0.002","90","","7186","0.4","154.56","","154.56","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58.5 H103 Cl3 N10 O11 -","- C58.5 H103 Cl3 N10 O11 -","- C234 H412 Cl12 N40 O44 -","4","1","","Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke","The influence of backbone fluorination on the helicity of α/γ-hybrid peptides","Organic & Biomolecular Chemistry","2024","22","8","1608","1612","10.1039/D3OB02016A","","","0.71073","MoKα","","0.1191","0.0929","","","0.2733","0.3042","","","","","","1.046","","","","has coordinates","290258","2024-03-04","20:40:33",""
"7159792","17.7179","0.0007","17.7179","0.0007","81.727","0.003","90","","90","","90","","25656.1","1.7","152.41","","152.41","","","","","","","","","4","P 43","P 4cw","78","","","","- C56 H97 N9 O12 -","- C56 H97 N9 O12 -","- C896 H1552 N144 O192 -","16","4","","Patel, Alpesh Ramanlal; Lawer, Aggie; Bhadbhade, Mohan; Hunter, Luke","The influence of backbone fluorination on the helicity of α/γ-hybrid peptides","Organic & Biomolecular Chemistry","2024","22","8","1608","1612","10.1039/D3OB02016A","","","0.71073","MoKα","","0.1274","0.0748","","","0.1913","0.2284","","","","","","1.016","","","","has coordinates,has disorder","290258","2024-03-04","20:40:34",""
"7159793","9.42","0.0018","25.033","0.005","7.5118","0.0014","90","","111.342","0.006","90","","1649.9","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 O2 Se -","- C16 H16 Cl2 O2 Se -","- C64 H64 Cl8 O8 Se4 -","4","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","Electrochemical selenofunctionalization of unactivated alkenes: access to β-hydroxy-selenides","Organic & Biomolecular Chemistry","2024","22","9","1775","1781","10.1039/D4OB00105B","","","0.71073","MoKα","","0.0775","0.0396","","","0.0681","0.0794","","","","","","1.027","","","","has coordinates","290273","2024-03-04","20:43:15",""
"7159794","16.87115","0.00015","14.15084","0.00013","17.71183","0.00018","90","","90.5169","0.0009","90","","4228.37","0.07","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 2,6-dimethylBis(imino)acenaphthene 18-Crown-6","","- C44 H58 K N2 O8 -","- C44 H58 K N2 O8 -","- C176 H232 K4 N8 O32 -","4","1","","Babaguchi, Kotono; Bedi, Deepika; Chacon-Teran, Miguel A; Findlater, Michael","α-Diimine-mediated C-H functionalization of arenes for aryl-aryl cross-coupling reactions.","Organic & biomolecular chemistry","2024","22","12","2389","2394","10.1039/d3ob01992f","","x-ray","1.54184","CuKα","","0.0502","0.0478","","","0.1262","0.1278","","","","","","1.043","","","","has coordinates","291057","2024-04-05","00:13:01",""
"7159795","9.948","0.0004","13.3446","0.0005","27.6271","0.0009","90","","90","","90","","3667.6","0.2","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","cobaltocenium thiourea hexafluorophosphate","N-Cobaltocenium-N'-phenylthiourea hexafluorophosphate","","- C17 H16 Co F6 N2 P S -","- C17 H16 Co F6 N2 P S -","- C136 H128 Co8 F48 N16 P8 S8 -","8","2","","Blechschmidt, Daniel R.; Mergendahl, Cal; Kass, Steven R.","Metallocenium incorporated charge-enhanced thiourea catalysts","Organic & Biomolecular Chemistry","2024","22","9","1788","1793","10.1039/D3OB02007J","","","0.71073","MoKα","","0.0553","0.0443","","","0.1004","0.1063","","","","","","1.055","","","","has coordinates,has disorder","290277","2024-03-04","20:43:41",""
"7159796","10.2585","0.0001","13.8145","0.0002","10.0402","0.0001","90","","107.368","0.001","90","","1357.99","0.03","293","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyanodecalin 151","","- C15 H23 N O -","- C15 H23 N O -","- C60 H92 N4 O4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0392","0.0374","","","0.1033","0.1051","","","","","","1.075","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159797","9.5724","0.0002","19.816","0.0004","7.5951","0.0001","90","","100.166","0.002","90","","1418.07","0.05","100","0.1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","halichonadin C","","- C16 H25 N -","- C16 H25 N -","- C64 H100 N4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0481","0.0429","","","0.1137","0.1179","","","","","","1.064","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159798","5.8913","0.0001","26.1001","0.0004","9.5853","0.0002","90","","99.765","0.002","90","","1452.52","0.05","100","0.1","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyldecalin 197","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Fujita, Ryohei; Ooka, Kaito; Wasada, Hiroaki; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","First synthesis of (±)-halichonadins A-D.","Organic & biomolecular chemistry","2024","22","9","1901","1906","10.1039/d4ob00088a","","x-ray","1.54184","CuKα","","0.0404","0.0379","","","0.0998","0.1021","","","","","","1.061","","","","has coordinates","290274","2024-03-04","20:43:23",""
"7159799","14.834","0.0012","12.7431","0.0009","27.038","0.002","90","","90","","90","","5111","0.7","150","2","150","2","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O8 -","- C29 H32 O8 -","- C232 H256 O64 -","8","1","","Uriac, Philippe; Ferron, Solenn; Jehan, Philippe; Roisnel, Thierry; Tomasi, Sophie","Δ-Keto-acid/hydroxy-lactone isomerization in some lichen depsides, depsidones and diphenyl ethers.","Organic & biomolecular chemistry","2024","22","11","2264","2270","10.1039/d3ob02026f","","x-ray","0.71073","MoKα","","0.0959","0.084","","","0.1704","0.1758","","","","","","1.275","","","","has coordinates,has disorder","291055","2024-04-05","00:12:49",""
"7159800","10.9445","0.001","11.6383","0.0009","12.2119","0.0009","102.813","0.007","106.382","0.007","97.93","0.007","1421.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,15-bis-trifluoromethyl-10-(p-anisyl)-corrole","","- C34 H24 F6 N4 O -","- C34 H24 F6 N4 O -","- C68 H48 F12 N8 O2 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.132","0.0967","","","0.2826","0.3258","","","","","","1.034","","","","has coordinates","291042","2024-04-05","00:10:28",""
"7159801","8.68015","0.00018","11.4089","0.0003","12.586","0.0003","80.6513","0.0019","70.8233","0.0019","81.5848","0.0018","1155.81","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","5,15-bistrifluoromethyl-10-(4-cyanophenyl)-corrole","","- C28 H15 F6 N5 -","- C28 H15 F6 N5 -","- C56 H30 F12 N10 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0491","0.0465","","","0.1286","0.1314","","","","","","1.053","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159802","9.21263","0.00019","12.5354","0.0002","15.5289","0.0003","111.284","0.0018","103.501","0.0018","95.1944","0.0016","1594.14","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","5,15-perfluoropropyl-10-(4-cyanophenyl)-corrole","","- C32.5 H16 Cl F14 N5 -","- C32.5 H16 Cl F14 N5 -","- C65 H32 Cl2 F28 N10 -","2","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0765","0.0728","","","0.2244","0.2292","","","","","","1.081","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159803","23.5597","0.0004","11.55887","0.00018","19.1588","0.0003","90","","93.2727","0.0013","90","","5208.88","0.15","295","","295","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","5,15-bis-trifluoromethyl-10-(p-tolyl)-corrole","","- C31 H21 F6 N4 -","- C31 H21 F6 N4 -","- C248 H168 F48 N32 -","8","2","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.0861","0.0765","","","0.23","0.2463","","","","","","1.072","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7159804","18.1959","0.0007","9.9152","0.0004","23.9","0.0009","90","","101.141","0.004","90","","4230.7","0.3","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,15-perfluoroheptyl-10-(p-anisyl)-corrole","","- C40 H18 F30 N4 O -","- C40 H18 F30 N4 O -","- C160 H72 F120 N16 O4 -","4","1","","Julliard, Paul-Gabriel; Pascal, Simon; Siri, Olivier; Giorgi, Michel; Cortés-Arriagada, Diego; Sanhueza, Luis; Canard, Gabriel","Two-step access to bis-<i>meso</i>-perfluoroalkyl-corroles towards <i>meso</i>-perfluoroacyl-ABC-corroles.","Organic & biomolecular chemistry","2024","22","10","1993","1997","10.1039/d4ob00191e","","x-ray","1.54184","CuKα","","0.1331","0.0921","","","0.2365","0.2692","","","","","","1.065","","","","has coordinates,has disorder","291042","2024-04-05","00:10:28",""
"7159805","13.009","0.003","15.324","0.003","4.6638","0.0009","90","","90","","90","","929.7","0.3","293.15","","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Wu, Zeng-Hui; Qu, Heng-Tong; Han, Ben-Jun; Yang, Jia-Xin; Chang, Xiang-Wei; Feng, Cheng-Tao","Synthesis of pyrazino[1,2-<i>b</i>]indazoles <i>via</i> cascade cyclization of indazole aldehydes with propargylic amines.","Organic & biomolecular chemistry","2024","22","11","2226","2230","10.1039/d4ob00051j","","","0.71073","MoKα","","0.0792","0.0775","","","0.2056","0.2102","","","","","","1.053","","","","has coordinates","291050","2024-04-05","00:12:16",""
"7159806","10.005","0.004","11.035","0.004","18.194","0.007","90","","101.8","0.007","90","","1966.3","1.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O3 S Se -","- C21 H18 O3 S Se -","- C84 H72 O12 S4 Se4 -","4","1","","Abdukerem, Dilshat; Chen, Hui; Mao, Zechuan; Xia, Kun; Zhu, Wenli; Liu, Changhong; Yu, Yuming; Abdukader, Ablimit","Transition metal-free C(sp<sup>3</sup>)-H selenation of β-ketosulfones.","Organic & biomolecular chemistry","2024","22","10","2075","2080","10.1039/d4ob00006d","","","0.71073","MoKα","","0.1795","0.1494","","","0.3917","0.4049","","","","","","1.141","","","","has coordinates","291040","2024-04-05","00:10:10",""
"7159807","25.9576","0.0015","14.7451","0.0009","14.1378","0.0008","90","","96.669","0.002","90","","5374.6","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.88 H23.77 Cl1.77 F N3 -","- C34.883 H23.766 Cl1.766 F N3 -","- C279.064 H190.128 Cl14.128 F8 N24 -","8","1","","Polkaehn, Jonas; Thom, Richard; Ehlers, Peter; Villinger, Alexander; Langer, Peter","π-Expanded azaullazines: synthesis of quinolino-azaullazines by Povarov reaction and cycloisomerisation.","Organic & biomolecular chemistry","2024","22","10","2027","2042","10.1039/d4ob00091a","","","0.71073","MoKα","","0.0795","0.0516","","","0.1249","0.1401","","","","","","1.051","","","","has coordinates,has disorder","291039","2024-04-05","00:10:03",""
"7159808","11.543","0.0006","11.9861","0.0009","13.867","0.0009","84.966","0.006","76.217","0.005","62.126","0.006","1646.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N2 O2 -","- C46 H38 N2 O2 -","- C92 H76 N4 O4 -","2","1","","Manenti, Marco; Villa, Tommaso; Macetti, Giovanni; Silvani, Alessandra","Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles.","Organic & biomolecular chemistry","2024","22","10","2124","2136","10.1039/d3ob02115g","","","0.71073","MoKα","","0.1936","0.1597","","","0.4266","0.4461","","","","","","1.125","","","","has coordinates","291038","2024-04-05","00:09:56",""
"7159809","21.2019","0.0013","9.5258","0.0005","24.3433","0.0012","90","","105.859","0.006","90","","4729.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H38 Br N O2 -","- C51 H38 Br N O2 -","- C204 H152 Br4 N4 O8 -","4","1","","Manenti, Marco; Villa, Tommaso; Macetti, Giovanni; Silvani, Alessandra","Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles.","Organic & biomolecular chemistry","2024","22","10","2124","2136","10.1039/d3ob02115g","","","1.54184","CuKα","","0.1506","0.0732","","","0.1707","0.2096","","","","","","0.95","","","","has coordinates","291038","2024-04-05","00:09:56",""
"7159810","16.8319","0.0002","10.5753","0.0001","12.5959","0.0001","90","","94.029","0.001","90","","2236.56","0.04","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O7 S -","- C21 H32 N2 O7 S -","- C84 H128 N8 O28 S4 -","4","1","","Yamaguchi, Ayuta; Obiya, Naoki; Arichi, Norihito; Oishi, Shinya; Ohno, Hiroaki; Inuki, Shinsuke","Synthesis of labionin and avionin precursors <i>via</i> a nitrogen-centred-radical-triggered 1,5-HAT reaction of Tris derivatives.","Organic & biomolecular chemistry","2024","22","10","2049","2055","10.1039/d3ob02037a","","x-ray","1.54184","CuKα","","0.0353","0.0351","","","0.0907","0.0913","","","","","","1.042","","","","has coordinates","291041","2024-04-05","00:10:16",""
"7159811","10.5663","0.0002","16.3098","0.0003","13.8053","0.0002","90","","99.809","0.002","90","","2344.35","0.07","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O7 S -","- C21 H32 N2 O7 S -","- C84 H128 N8 O28 S4 -","4","1","","Yamaguchi, Ayuta; Obiya, Naoki; Arichi, Norihito; Oishi, Shinya; Ohno, Hiroaki; Inuki, Shinsuke","Synthesis of labionin and avionin precursors <i>via</i> a nitrogen-centred-radical-triggered 1,5-HAT reaction of Tris derivatives.","Organic & biomolecular chemistry","2024","22","10","2049","2055","10.1039/d3ob02037a","","x-ray","1.54184","CuKα","","0.0411","0.0371","","","0.1008","0.1037","","","","","","1.056","","","","has coordinates","291041","2024-04-05","00:10:16",""
"7159812","34.085","0.002","11.9376","0.0005","15.874","0.0012","90","","112.316","0.008","90","","5975.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 F3 N O2 -","- C17 H12 F3 N O2 -","- C272 H192 F48 N16 O32 -","16","2","","Chen, Feijing; Zhao, Xiao-Xiao; Zhang, Hao-Tian; Ma, Yan-Na; Chen, Xuenian","Facile Friedel-Crafts alkylation of arenes under solvent-free conditions.","Organic & biomolecular chemistry","2024","22","11","2187","2191","10.1039/d4ob00162a","","x-ray","1.54184","CuKα","","0.1073","0.0739","","","0.1964","0.2384","","","","","","1.031","","","","has coordinates,has disorder","291052","2024-04-05","00:12:29",""
"7159813","9.5735","0.0006","9.5741","0.0007","10.0303","0.0008","113.649","0.008","108.152","0.006","94.284","0.006","778.9","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-phenyl-2H-azirine-2-carboxylate","","- C17 H14 N4 O2 -","- C17 H14 N4 O2 -","- C34 H28 N8 O4 -","2","1","","Lu, Qing; He, Yanmin; Chang, Junbiao; Yu, Wenquan","Synthesis of 2,2-difunctionalized 2<i>H</i>-azirines <i>via</i> I<sub>2</sub>-mediated annulation of enamines.","Organic & biomolecular chemistry","2024","22","11","2292","2299","10.1039/d4ob00156g","","x-ray","1.54184","CuKα","","0.0739","0.0493","","","0.1285","0.1504","","","","","","1.025","","","","has coordinates","291054","2024-04-05","00:12:41",""
"7159814","8.8691","0.0003","9.8181","0.0003","12.3544","0.0005","83.507","0.003","89.522","0.003","80.379","0.002","1053.8","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C48 H42 N6 O8 -","2","1","","Chen, Siyi; Liang, Peiyao; Cai, Yilin; Zhou, Liejin; Wang, Shoulei","Substrate-directed divergent annulations of sulfur ylides: synthesis of functionalized bispirocyclopentane and bispirocyclopropane derivatives.","Organic & biomolecular chemistry","2024","22","11","2197","2202","10.1039/d4ob00146j","","","1.54178","CuKα","","0.0778","0.0543","","","0.127","0.1451","","","","","","1.058","","","","has coordinates","291053","2024-04-05","00:12:35",""
"7159815","10.2901","0.0002","22.9799","0.0005","8.7583","0.0002","90","","110.502","0.001","90","","1939.86","0.07","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C92 H80 N8 O16 -","4","1","","Chen, Siyi; Liang, Peiyao; Cai, Yilin; Zhou, Liejin; Wang, Shoulei","Substrate-directed divergent annulations of sulfur ylides: synthesis of functionalized bispirocyclopentane and bispirocyclopropane derivatives.","Organic & biomolecular chemistry","2024","22","11","2197","2202","10.1039/d4ob00146j","","","1.54178","CuKα","","0.0646","0.0496","","","0.1301","0.1437","","","","","","1.042","","","","has coordinates","291053","2024-04-05","00:12:35",""
"7159816","8.5508","0.0001","12.4763","0.0001","16.5868","0.0001","90","","90","","90","","1769.52","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C72 H96 O28 -","4","1","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.54184","CuKα","","0.0249","0.0243","","","0.0633","0.0637","","","","","","1.042","","","","has coordinates","291051","2024-04-05","00:12:23",""
"7159817","14.4485","0.0012","8.609","0.0007","16.5929","0.0014","90","","101.029","0.004","90","","2025.8","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H46 Cl3 F3 N2 O6 -","- C41 H46 Cl3 F3 N2 O6 -","- C82 H92 Cl6 F6 N4 O12 -","2","1","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.34139","Synchrotron","GaKα","0.1005","0.0889","","","0.2401","0.25","","","","","","1.058","","","","has coordinates,has disorder","291051","2024-04-05","00:12:23",""
"7159818","7.856","0.0006","9.6968","0.0007","12.0012","0.0009","70.998","0.001","85.037","0.001","87.512","0.001","861.06","0.11","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","2","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.34139","Synchrotron","GaKα","0.0813","0.0778","","","0.2146","0.2382","","","","","","1.088","","","","has coordinates","291051","2024-04-05","00:12:23",""
"7159819","7.38752","0.00008","13.87031","0.00012","16.86229","0.00017","90","","102.371","0.001","90","","1687.71","0.03","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","An, Zhenyu; Miao, Man; Sun, Fengkai; Lan, Xiao-Bing; Yu, Jian-Qiang; Guo, Xiaoli; Zhang, Jian","Copper-catalyzed oxidative cyclization of 2-(1<i>H</i>-pyrrol-1-yl)aniline and alkylsilyl peroxides: a route to pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2024","22","12","2370","2374","10.1039/d3ob01934a","","x-ray","1.54184","CuKα","","0.0398","0.0383","","","0.0989","0.1","","","","","","1.053","","","","has coordinates","291059","2024-04-05","00:13:22",""
"7159820","9.5458","0.0003","10.8218","0.0003","18.6882","0.0005","102.663","0.001","92.618","0.001","90.594","0.001","1881.21","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 I N O4 S -","- C19 H18 I N O4 S -","- C76 H72 I4 N4 O16 S4 -","4","2","","Bao, Xiaobo; Wang, Guoli; Dong, Xu; Zhu, Mengxiao; Yang, Lili; Zhu, Junjie; Shi, Qingyuan; Zhang, Hongzhen; Chen, Dongyin","I<sub>2</sub>/CF<sub>3</sub>CO<sub>2</sub>Ag-mediated iodolactonization of various allenoic acids to access versatile 6- to 9-membered ring vinylic iodolactones.","Organic & biomolecular chemistry","2024","22","12","2443","2450","10.1039/d4ob00061g","","","1.54178","CuKα","","0.0725","0.069","","","0.182","0.1889","","","","","","1.101","","","","has coordinates,has disorder","291061","2024-04-05","00:13:33",""
"7159821","5.8219","0.0004","8.6182","0.0005","13.5458","0.0008","81.096","0.002","88.255","0.002","73.391","0.002","643.38","0.07","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C28 H26 N2 O4 S2 -","2","1","","Chakraborty, Nikita; Rajbongshi, Kamal K.; Gondaliya, Amisha; Patel, Bhisma K.","PIDA/I<sub>2</sub>-mediated photo-induced aerobic <i>N</i>-acylation of sulfoximines with methylarenes.","Organic & biomolecular chemistry","2024","22","12","2375","2379","10.1039/d4ob00175c","","","0.71073","MoKα","","0.0769","0.0552","","","0.1069","0.118","","","","","","1.139","","","","has coordinates","291060","2024-04-05","00:13:27",""
"7159822","4.045","0.003","12.408","0.011","15.626","0.014","80.01","0.02","88.13","0.02","87.1","0.02","771.2","1.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","","Chamakiya, Chirag A.; Chothani, Savankumar R.; Joshi, Rupal J.; Bhalodia, Jasmin; Ambasana, Mrunal A.; Bapodra, Atul H.; Kapuriya, Naval","Efficient and metal-free synthesis of 2-aroyl 7-azaindoles <i>via</i> thermally induced denitrogenative intramolecular annulation of 1,2,3,4-tetrazolopyridines.","Organic & biomolecular chemistry","2024","22","11","2192","2196","10.1039/d4ob00078a","","","0.71073","MoKα","","0.0557","0.0463","","","0.1286","0.1379","","","","","","1.05","","","","has coordinates","291056","2024-04-05","00:12:55",""
"7159823","7.2336","0.0008","10.6828","0.0011","10.9368","0.0012","90","","101.791","0.004","90","","827.31","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Liu, Shuai; Liu, Xin; Zhang, Tian-Shu; Bao, Xiaoyu; Sheng, Xiaoyu; Qi, Zhenjie; Jiang, Dongfang","Electro-oxidative intermolecular C<sub>SP<sup>2</sup></sub>-H amination of heteroarenes <i>via</i> proton-coupled electron transfer.","Organic & biomolecular chemistry","2024","22","13","2549","2553","10.1039/d4ob00164h","","","0.71073","MoKα","","0.1081","0.0795","","","0.1824","0.1982","","","","","","1.095","","","","has coordinates","291046","2024-04-05","00:11:37",""
"7159824","15.06","0.0014","17.7122","0.0016","9.6717","0.0009","90","","90","","90","","2579.9","0.4","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H23 F3 N2 O6 S -","- C27 H23 F3 N2 O6 S -","- C108 H92 F12 N8 O24 S4 -","4","1","","Liu, Shuai; Liu, Xin; Zhang, Tian-Shu; Bao, Xiaoyu; Sheng, Xiaoyu; Qi, Zhenjie; Jiang, Dongfang","Electro-oxidative intermolecular C<sub>SP<sup>2</sup></sub>-H amination of heteroarenes <i>via</i> proton-coupled electron transfer.","Organic & biomolecular chemistry","2024","22","13","2549","2553","10.1039/d4ob00164h","","","0.71073","MoKα","","0.0863","0.055","","","0.12","0.137","","","","","","1.059","","","","has coordinates","291046","2024-04-05","00:11:37",""
"7159825","6.3402","0.0003","7.4033","0.0003","10.8259","0.0004","102.832","0.004","92.959","0.003","114.223","0.004","445.98","0.04","107","4","107","4","","","","","","","","3","P -1","-P 1","2","","","","- C1.54 H1.38 N0.46 -","- C1.53846 H1.38462 N0.461538 -","- C20 H18 N6 -","13","6.5","","Pal, Koustav; Srinivasu, Vinjamuri; Biswas, Sourabh; Sureshkumar, Devarajulu","Visible light-induced organo-photocatalyzed route to synthesize substituted pyrazoles.","Organic & biomolecular chemistry","2024","22","12","2384","2388","10.1039/d4ob00248b","","x-ray","1.54184","CuKα","","0.0465","0.0432","","","0.1274","0.1339","","","","","","1.085","","","","has coordinates","291062","2024-04-05","00:13:37",""
"7159826","10.094","0.004","10.648","0.006","13.883","0.009","73.3","0.03","70.165","0.018","72.632","0.017","1310.5","1.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O6 S3 -","- C27 H26 N2 O6 S3 -","- C54 H52 N4 O12 S6 -","2","1","","Cheng, Ling-Chao; Wang, Zhihua; He, Xinglei; Liang, Wangfu; Ye, Ke-Yin","Cobalt-catalyzed amination of aziridines and azetidines toward 1,2- and 1,3-diamines.","Organic & biomolecular chemistry","2024","22","13","2554","2557","10.1039/d4ob00168k","","","0.71073","MoKα","","0.1032","0.0936","","","0.2768","0.3043","","","","","","1.415","","","","has coordinates","291043","2024-04-05","00:11:04",""
"7159827","9.9841","0.0002","9.9889","0.0002","15.0529","0.0005","76.184","0.003","78.526","0.002","74.084","0.002","1387.52","0.06","292.98","0.16","292.98","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O6 S3 -","- C28 H28 N2 O6 S3 -","- C56 H56 N4 O12 S6 -","2","1","","Cheng, Ling-Chao; Wang, Zhihua; He, Xinglei; Liang, Wangfu; Ye, Ke-Yin","Cobalt-catalyzed amination of aziridines and azetidines toward 1,2- and 1,3-diamines.","Organic & biomolecular chemistry","2024","22","13","2554","2557","10.1039/d4ob00168k","","x-ray","1.54184","CuKα","","0.0746","0.0685","","","0.2097","0.2129","","","","","","1.088","","","","has coordinates","291043","2024-04-05","00:11:05",""
"7159828","48.894","0.005","6.5606","0.0006","37.444","0.004","90","","131.285","0.018","90","","9026","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C352 H304 N16 O48 S16 -","16","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.1567","0.0785","","","0.1856","0.2313","","","","","","1.078","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159829","46.828","0.009","15.239","0.003","14.999","0.003","90","","106.54","0.03","90","","10261","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C480 H456 N24 O72 S24 -","24","3","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.80246","synchrotron","","0.1143","0.0896","","","0.1986","0.2142","","","","","","1.016","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159830","9.65056","0.00014","11.27375","0.00016","12.80694","0.00018","101.984","0.0012","108.181","0.0013","109.807","0.0013","1166.44","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O4 S2 -","- C27 H27 N O4 S2 -","- C54 H54 N2 O8 S4 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.0359","0.0347","","","0.0915","0.0925","","","","","","1.078","","","","has coordinates,has disorder","291045","2024-04-05","00:11:30",""
"7159831","9.84055","0.00007","10.20769","0.00007","12.02385","0.00008","95.4243","0.0006","96.5429","0.0006","101.311","0.0006","1168.12","0.014","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O3 S -","- C28 H29 N O3 S -","- C56 H58 N2 O6 S2 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","1.54184","CuKα","","0.0371","0.0363","","","0.0969","0.0977","","","","","","1.077","","","","has coordinates","291045","2024-04-05","00:11:30",""
"7159832","12.2769","0.0003","11.7542","0.0003","32.9548","0.0009","90","","94.633","0.002","90","","4740","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 D6 F4 N O4 S2 -","- C24 H15 D6 F4 N O4 S2 -","- C192 H120 D48 F32 N8 O32 S16 -","8","2","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.0949","0.0487","","","0.1076","0.1282","","","","","","1.016","","","","has coordinates,has disorder","291045","2024-04-05","00:11:30",""
"7159833","11.1667","0.0008","13.3681","0.001","15.9013","0.0013","74.286","0.002","80.082","0.002","71.936","0.002","2162.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 D6 N2 O7 S3 -","- C48 H50 D6 N2 O7 S3 -","- C96 H100 D12 N4 O14 S6 -","2","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.1139","0.0574","","","0.0989","0.1156","","","","","","1.002","","","","has coordinates","291045","2024-04-05","00:11:31",""
"7159834","13.5933","0.0006","12.7117","0.0005","12.7881","0.0005","90","","97.701","0.002","90","","2189.78","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br D6 N O4 S2 -","- C23 H16 Br D6 N O4 S2 -","- C92 H64 Br4 D24 N4 O16 S8 -","4","1","","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Nadirova, Maryana A.; Erokhin, Pavel P.; Simakova, Daria N.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Novikov, Anton P.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zubkov, Fedor I.; Zaytsev, Vladimir P.","Application of the intramolecular Diels-Alder vinylarene (IMDAV) reaction for the synthesis of benzo-, carbocyclo-, thienothiopheneisoindolecarboxylic acids and its limitations.","Organic & biomolecular chemistry","2024","22","13","2643","2653","10.1039/d3ob01933k","","","0.71073","MoKα","","0.0474","0.0302","","","0.0608","0.0662","","","","","","1.012","","","","has coordinates","291045","2024-04-05","00:11:31",""
"7159835","6.496","0.003","11.821","0.005","12.772","0.005","73.748","0.008","83.671","0.009","75.267","0.008","909.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 F2 N O3 -","- C19 H25 F2 N O3 -","- C38 H50 F4 N2 O6 -","2","1","","Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain","Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution","Organic & Biomolecular Chemistry","2024","22","8","1602","1607","10.1039/D4OB00011K","","","0.71073","MoKα","","0.0488","0.041","","","0.1094","0.1173","","","","","","1.041","","","","has coordinates","290071","2024-03-04","14:33:57",""
"7159836","8.252","0.007","10.441","0.011","12.226","0.01","90","","100.816","0.01","90","","1034.7","1.6","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl F2 N O4 -","- C20 H24 Cl F2 N O4 -","- C40 H48 Cl2 F4 N2 O8 -","2","1","","Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain","Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution","Organic & Biomolecular Chemistry","2024","22","8","1602","1607","10.1039/D4OB00011K","","","0.71073","MoKα","","0.0416","0.0347","","","0.0751","0.0794","","","","","","1.025","","","","has coordinates","290071","2024-03-04","14:33:58",""
"7159837","9.2123","0.0003","13.9474","0.0006","20.68","0.0007","100.472","0.003","92.038","0.003","92.699","0.003","2607.33","0.17","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 F3 N3 O3 S -","- C29 H24 F3 N3 O3 S -","- C116 H96 F12 N12 O12 S4 -","4","2","","Zhu, Yannan; Bo, Fang; Wang, Xuying; Jiang, Qianxi; Li, Qiuyun; Han, Zhongfei; Wang, Yi-Ning; Qi, Gang","Construction of 1,3,4-oxadiazolines bearing CF3-quaternary centers via amino-assisted [3 + 2] cycloadditions","Organic & Biomolecular Chemistry","2024","22","7","1391","1394","10.1039/D3OB02096G","","","0.71073","MoKα","","0.0862","0.0624","","","0.1567","0.1799","","","","","","1.032","","","","has coordinates","290072","2024-03-04","14:35:05",""
"7159838","7.2327","0.0011","7.6558","0.0011","13.5621","0.0018","100.334","0.004","95.405","0.004","109.676","0.004","685.89","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 F3 N O -","- C17 H10 F3 N O -","- C34 H20 F6 N2 O2 -","2","1","","Liu, Jiami; Lu, Yi; Zhu, Lingxuan; Lei, Xinsheng","Construction of indolizine scaffolds from α,ω-alkynoic acids and α,ω-vinylamines <i>via</i> sequential-relay catalysis in ""one pot"".","Organic & biomolecular chemistry","2024","22","12","2474","2479","10.1039/d4ob00067f","","","0.71073","MoKα","","0.1572","0.0614","","","0.1446","0.1908","","","","","","0.959","","","","has coordinates","291058","2024-04-05","00:13:16",""
"7159839","10.1714","0.0006","10.7451","0.0006","15.1448","0.001","90","","91.646","0.002","90","","1654.53","0.17","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C80 H52 Br4 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0791","0.0454","","","0.099","0.1126","","","","","","1.015","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159840","15.7784","0.0019","7.2071","0.0009","13.3839","0.0014","90","","97.417","0.003","90","","1509.2","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0789","0.0611","","","0.1422","0.1519","","","","","","1.122","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159841","12.7391","0.0007","9.0644","0.0005","24.8179","0.0014","90","","90","","90","","2865.8","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.1315","0.0924","","","0.2234","0.2452","","","","","","1.097","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159842","5.1247","0.0005","13.5141","0.0015","20.781","0.002","90","","94.934","0.005","90","","1433.9","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br N2 O -","- C17 H11 Br N2 O -","- C68 H44 Br4 N8 O4 -","4","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0626","0.044","","","0.1072","0.1172","","","","","","1.029","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159843","13.347","0.002","7.581","0.002","29.868","0.003","90","","90","","90","","3022.2","1","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl F3 N2 O -","- C16 H10 Cl F3 N2 O -","- C128 H80 Cl8 F24 N16 O8 -","8","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0641","0.053","","","0.1366","0.1446","","","","","","1.063","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159844","10.7582","0.0002","12.2091","0.0002","18.8089","0.0004","90","","90","","90","","2470.51","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H42 O6 Si -","- C23 H42 O6 Si -","- C92 H168 O24 Si4 -","4","1","","Sun, Ying; Fu, Shaomin; Liu, Bo","Asymmetric synthesis of the fully functionalized six-membered A-ring of siphonol A.","Organic & biomolecular chemistry","2024","22","15","2958","2962","10.1039/d4ob00104d","","","1.54178","CuKα","","0.0415","0.0404","","","0.1046","0.106","","","","","","1.048","","","","has coordinates","291694","2024-05-05","04:04:37",""
"7159845","9.6503","0.0002","12.2687","0.0002","22.1064","0.0004","81.658","0.001","84.899","0.001","77.132","0.001","2520.24","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 Br2 N6 O4 -","- C60 H56 Br2 N6 O4 -","- C120 H112 Br4 N12 O8 -","2","1","","Baldini, Lorenzo; Lenci, Elena; Faggi, Cristina; Trabocchi, Andrea","Identification of BACE-1 inhibitors through directed C(sp<sup>3</sup>)-H activation on 5-oxo-pyrrolidine-3-carboxylic acid derivatives.","Organic & biomolecular chemistry","2024","22","14","2754","2763","10.1039/d3ob02117c","","","1.54178","CuKα","","0.0497","0.0365","","","0.1093","0.1143","","","","","","1.087","","","","has coordinates","291047","2024-04-05","00:11:43",""
"7159846","10.1201","0.0002","11.3054","0.0003","13.5515","0.0003","70.37","0.001","72.458","0.001","67.802","0.001","1324.77","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O5 -","- C33 H25 N O5 -","- C66 H50 N2 O10 -","2","1","","Savchuk, Mariia; Vo-Thanh, Giang; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François","Vinylogous and stereoselective domino synthesis of pyrano[2,3-<i>c</i>]pyrroles from alkylidene meldrum's acids.","Organic & biomolecular chemistry","2024","22","15","2948","2952","10.1039/d4ob00233d","","x-ray","0.71073","MoKα","","0.0655","0.052","","","0.1389","0.1512","","","","","","1.059","","","","has coordinates","291695","2024-05-05","04:04:58",""
"7159847","8.9855","0.0002","19.7009","0.0003","12.8893","0.0002","90","","102.475","0.002","90","","2227.83","0.07","301.78","0.1","301.78","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F2 N4 O -","- C25 H20 F2 N4 O -","- C100 H80 F8 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0711","0.0621","","","0.1853","0.1944","","","","","","1.072","","","","has coordinates,has disorder","291049","2024-04-05","00:12:06",""
"7159848","19.8243","0.0004","7.1803","0.0001","16.7155","0.0003","90","","104.02","0.002","90","","2308.48","0.07","274.7","0.3","274.7","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl2 F2 N4 O -","- C25 H18 Cl2 F2 N4 O -","- C100 H72 Cl8 F8 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0551","0.0533","","","0.1391","0.141","","","","","","1.074","","","","has coordinates","291049","2024-04-05","00:12:06",""
"7159849","18.9993","0.0002","11.37225","0.00015","43.5762","0.0005","90","","96.9104","0.0011","90","","9346.89","0.19","301.71","0.1","301.71","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H18 Cl2 F2 N4 O -","- C25 H18 Cl2 F2 N4 O -","- C400 H288 Cl32 F32 N64 O16 -","16","2","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.076","0.0644","","","0.1957","0.2087","","","","","","1.083","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7159850","9.0184","0.0001","19.8009","0.0003","12.6774","0.0002","90","","101.082","0.001","90","","2221.62","0.06","287.3","0.2","287.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F3 N4 O -","- C25 H19 F3 N4 O -","- C100 H76 F12 N16 O4 -","4","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.0581","0.0531","","","0.151","0.1555","","","","","","1.085","","","","has coordinates","291049","2024-04-05","00:12:06",""
"7159851","10.1829","0.0008","13.8753","0.001","14.2627","0.001","63.913","0.002","89.426","0.002","73.285","0.002","1717.5","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H54 N8 O4 -","- C36 H54 N8 O4 -","- C72 H108 N16 O8 -","2","1","","Le Roy, Marie M.; Claes, Sandra; Saffon-Merceron, Nathalie; Schols, Dominique; Troadec, Thibault; Tripier, Raphaël","Selective synthesis of an elusive <i>C</i>-functional bis-cyclam and study of its inhibition of the CXCR4 chemokine receptor.","Organic & biomolecular chemistry","2024","22","15","3059","3067","10.1039/d3ob02050a","","","0.71073","MoKα","","0.1323","0.0797","","","0.2293","0.2686","","","","","","1.032","","","","has coordinates","291690","2024-05-05","04:02:47",""
"7159852","5.16094","0.00017","12.6912","0.0004","8.2512","0.0003","90","","92.987","0.003","90","","539.71","0.03","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3,4,5-Trihydroxy-6-(hydroxymethyl)-1-(3-hydroxypropanoyl)piperidin-2-one","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Yang, Zhongzhen; Arnoux, Marion; Hazelard, Damien; Hughes, Owen R.; Nabarro, Joe; Whitwood, Adrian C.; Fascione, Martin A.; Spicer, Christopher D.; Compain, Philippe; Unsworth, William P.","Expanding the scope of the successive ring expansion strategy for macrocycle and medium-sized ring synthesis: unreactive and reactive lactams.","Organic & biomolecular chemistry","2024","22","15","2985","2991","10.1039/d4ob00285g","","x-ray","1.54184","CuKα","","0.0326","0.0292","","","0.0651","0.0674","","","","","","1.044","","","","has coordinates","291691","2024-05-05","04:03:13",""
"7159853","9.767","0.0009","12.1981","0.0012","12.7598","0.0012","73.207","0.002","83.479","0.004","79.591","0.003","1428.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl N3 O2 S -","- C28 H28 Cl N3 O2 S -","- C56 H56 Cl2 N6 O4 S2 -","2","1","","Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai","Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.","Organic & biomolecular chemistry","2024","22","14","2824","2834","10.1039/d4ob00099d","","","0.71073","MoKα","","0.0967","0.0661","","","0.1639","0.1779","","","","","","1.019","","","","has coordinates","291048","2024-04-05","00:11:49",""
"7159854","17.2157","0.0004","9.9039","0.0002","18.6383","0.0004","90","","99.352","0.002","90","","3135.64","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 N6 O6 S2 -","- C72 H70 N6 O6 S2 -","- C144 H140 N12 O12 S4 -","2","0.5","","Wang, Liang; Song, Xiaopei; Guo, Fengxia; Xu, Lubin; Hu, Fangzhi; Guo, Feng-Wei; Li, Shuai-Shuai","Diversity-oriented synthesis of indole-fused scaffolds and bis(indolyl)methane from tosyl-protected tryptamine.","Organic & biomolecular chemistry","2024","22","14","2824","2834","10.1039/d4ob00099d","","","1.54184","CuKα","","0.0548","0.0455","","","0.1226","0.1307","","","","","","1.028","","","","has coordinates,has disorder","291048","2024-04-05","00:11:50",""
"7159855","14.6339","0.0005","15.1689","0.0005","16.0492","0.0003","102.718","0.002","111.425","0.003","105.578","0.003","2986.6","0.2","139.9","0.4","139.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N3 O5 -","- C31 H29 N3 O5 -","- C124 H116 N12 O20 -","4","2","","Barlow, Sean R.; Halcovitch, Nathan R.; Evans, Nicholas H.","A pyridine-<i>N</i>-oxide catenane for cation recognition.","Organic & biomolecular chemistry","2024","22","15","3001","3008","10.1039/d4ob00176a","","x-ray","1.54184","CuKα","","0.0867","0.0658","","","0.1888","0.2141","","","","","","1.026","","","","has coordinates","291697","2024-05-05","04:06:02",""
"7159856","21.5269","0.0002","11.1056","0.0001","21.8729","0.0002","90","","99.44","0.001","90","","5158.32","0.08","99.93","0.16","99.93","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O4 -","- C31 H29 N3 O4 -","- C248 H232 N24 O32 -","8","2","","Barlow, Sean R.; Halcovitch, Nathan R.; Evans, Nicholas H.","A pyridine-<i>N</i>-oxide catenane for cation recognition.","Organic & biomolecular chemistry","2024","22","15","3001","3008","10.1039/d4ob00176a","","x-ray","1.54184","CuKα","","0.0439","0.0372","","","0.0907","0.0948","","","","","","1.059","","","","has coordinates","291697","2024-05-05","04:06:05",""
"7159857","10.184","0.0005","14.8969","0.0007","14.107","0.0007","90","","108.171","0.001","90","","2033.44","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H66 O11 -","- C43 H66 O11 -","- C86 H132 O22 -","2","1","","Li, Man; Feng, Ling; Zhang, Han; Liu, Yan-Chun; Zhou, Ting-Ting; Zheng, Yu; Guo, Kai; Liu, Yan; Li, Sheng-Hong","Unusual immunosuppressive pyridine-containing <i>bisnor</i>- (c<sub>23</sub>), <i>tetranor</i>- (c<sub>21</sub>) and <i>pentanor</i>- (c<sub>20</sub>) sesterterpenoids from Tibetan <i>Leucosceptrum canum</i>.","Organic & biomolecular chemistry","2024","22","15","3019","3024","10.1039/d4ob00334a","","","1.54178","CuKα","","0.0539","0.0536","","","0.1405","0.1408","","","","","","1.054","","","","has coordinates","291693","2024-05-05","04:04:02",""
"7159858","11.202","0.0002","11.3554","0.0002","18.8713","0.0004","103.795","0.0018","102.27","0.0018","93.4841","0.0016","2262.23","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Br N4 O3 -","- C58 H46 Br N4 O3 -","- C116 H92 Br2 N8 O6 -","2","1","","Chen, Yuzhen; Chen, Jiajia; Zhong, Lin; Zhang, Yili; Zhan, Ruoting; Huang, Huicai; Xue, Yongbo","Enantioselective synthesis of spirooxindole-pyran derivatives <i>via</i> a remote inverse-electron-demand Diels-Alder reaction of β,γ-unsaturated amides.","Organic & biomolecular chemistry","2024","22","16","3198","3203","10.1039/d4ob00303a","","x-ray","1.54184","CuKα","","0.0798","0.0733","","","0.2054","0.213","","","","","","1.065","","","","has coordinates","291689","2024-05-05","04:02:01",""
"7159859","5.74906","0.00011","19.4433","0.0005","17.5592","0.0004","90","","93.9972","0.0018","90","","1958.01","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl O2 P -","- C22 H20 Cl O2 P -","- C88 H80 Cl4 O8 P4 -","4","1","","Huang, Hua; Wu, Yi-Qi; Han, Lu-Yao; Jiang, Lu; Zhang, Zhuo-Zhuo; Zhang, Xiang; Han, Bo; Huang, Wei; Li, Jun-Long","Palladium-catalyzed (<i>Z</i>)-selective allylation of phosphine oxides with vinylethylene carbonates to construct phosphorus allyl alcohols.","Organic & biomolecular chemistry","2024","22","15","3068","3072","10.1039/d4ob00354c","","x-ray","1.54184","CuKα","","0.0718","0.0618","","","0.1706","0.1865","","","","","","1.019","","","","has coordinates","291696","2024-05-05","04:05:32",""
"7159860","9.7029","0.0007","10.6515","0.0007","11.9141","0.0008","77.212","0.002","73.407","0.002","74.174","0.002","1121.49","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 S -","- C12 H10 N4 S -","- C48 H40 N16 S4 -","4","2","","Rao, Ramdas Nishanth; Das, Soumyadip; Jacob, Kezia; Alam, Mohammed Mujahid; Balamurali, M. M.; Chanda, Kaushik","Synthetic access to diverse thiazetidines <i>via</i> a one-pot microwave assisted telescopic approach and their interaction with biomolecules.","Organic & biomolecular chemistry","2024","22","16","3249","3261","10.1039/d4ob00075g","","","0.71073","MoKα","","0.0428","0.0377","","","0.1087","0.1142","","","","","","1.122","","","","has coordinates","291686","2024-05-05","03:59:57",""
"7159861","15.7","0.002","11.2137","0.0013","13.4533","0.0013","90","","90","","90","","2368.5","0.5","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H20 N2 O7 S2 -","- C24 H20 N2 O7 S2 -","- C96 H80 N8 O28 S8 -","4","0.5","","Panday, Surabhi; Maity, Tapas; Bhatti, Pratibha; Laha, Joydev K.","Direct access to pyrrole anhydrides <i>via</i> oxidative self-coupling of pyrrole carboxaldehydes.","Organic & biomolecular chemistry","2024","22","15","3045","3052","10.1039/d4ob00052h","","x-ray","0.71073","MoKα","","0.0988","0.0418","","","0.0996","0.1246","","","","","","1.029","","","","has coordinates","291692","2024-05-05","04:03:37",""
"7159862","11.55","0.004","19.972","0.01","14.943","0.007","90","","95.194","0.011","90","","3433","3","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H52 N2 O6 -","- C38 H52 N2 O6 -","- C152 H208 N8 O24 -","4","2","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.0831","0.048","","","0.114","0.1313","","","","","","1.034","","","","has coordinates","291687","2024-05-05","04:00:50",""
"7159863","8.0067","0.0018","10.661","0.002","23.119","0.005","79.169","0.006","85.466","0.006","85.116","0.006","1927.2","0.7","295","2","295","2","","","","","","","","5","P 1","P 1","1","","","","- C74.18 H106.96 Cl3 N4 O13.4 -","- C74.32 H107.3 Cl3 N4 O13.415 -","- C74.32 H107.3 Cl3 N4 O13.415 -","1","1","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.117","0.0868","","","0.2278","0.2616","","","","","","1.026","","","","has coordinates,has disorder","291687","2024-05-05","04:00:55",""
"7159864","9.117","0.002","12.119","0.003","14.803","0.004","82.309","0.005","78.83","0.005","70.106","0.005","1504.7","0.6","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H40 N2 O6 -","- C35 H40 N2 O6 -","- C70 H80 N4 O12 -","2","2","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.4131","0.0948","","","0.1585","0.2588","","","","","","0.919","","","","has coordinates,has disorder","291687","2024-05-05","04:00:55",""
"7159865","13.6252","0.0016","18.037","0.002","27.681","0.004","90","","98.174","0.003","90","","6733.7","1.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H50 N2 O6 -","- C38 H50 N2 O6 -","- C304 H400 N16 O48 -","8","4","","Ramírez-Lozano, Claudia M; Ochoa, Ma Eugenia; Labra-Vázquez, Pablo; Jiménez-Sánchez, Arturo; Farfán, Norberto; Santillan, Rosa","Exploring the self-assembly dynamics of novel steroid-coumarin conjugates: a comprehensive spectroscopic and solid-state investigation.","Organic & biomolecular chemistry","2024","22","16","3314","3327","10.1039/d4ob00192c","","","0.71073","MoKα","","0.1899","0.0826","","","0.166","0.2156","","","","","","1.054","","","","has coordinates","291687","2024-05-05","04:00:56",""
"7159866","8.4096","0.0001","14.7442","0.0002","17.5925","0.0002","109.465","0.001","94.577","0.001","105.526","0.001","1947.03","0.05","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H41 B Cl3 F2 I N2 O3 S -","- C38 H41 B Cl3 F2 I N2 O3 S -","- C76 H82 B2 Cl6 F4 I2 N4 O6 S2 -","2","1","","Kumar, Bintu; Bhatta, Anindita; Saraf, Prakriti; Pandurang, Taur Prakash; Rangan, Krishnan; Sarkar, Madhushree; Mitra, Sivaprasad; Kumar, Dalip","BODIPY(aryl)iodonium salts in the efficient synthesis of diversely functionalized BODIPYs and selective detection of serum albumin.","Organic & biomolecular chemistry","2024","22","17","3405","3414","10.1039/d4ob00336e","","x-ray","1.54184","CuKα","","0.0438","0.0429","","","0.117","0.1176","","","","","","1.114","","","","has coordinates","291682","2024-05-05","03:57:58",""
"7159867","9.5461","0.0005","11.3648","0.0006","13.2742","0.0008","66.284","0.002","72.713","0.002","85.367","0.002","1257.7","0.12","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H40 N8 O -","- C61 H40 N8 O -","- C61 H40 N8 O -","1","0.5","","Bera, Debasish; Sarkar, Rajib; Dhar, Tiyasa; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda","DMSO promoted catalyst-free oxidative C-N/C-O couplings towards synthesis of imidazoles and oxazoles.","Organic & biomolecular chemistry","2024","22","18","3684","3692","10.1039/d4ob00383g","","","0.71073","MoKα","","0.0817","0.0661","","","0.1827","0.1954","","","","","","0.972","","","","has coordinates","293270","2024-07-05","17:59:25",""
"7159868","10.587","0.004","9.745","0.003","12.647","0.004","90","","114.621","0.011","90","","1186.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cy-MBT]2","2,2'-dicyclohexyl-3,3'-dimethyl-2,2',3,3'-tetrahydro-2,2'-bibenzo[d]thiazole","","- C28 H36 N2 S2 -","- C28 H36 N2 S2 -","- C56 H72 N4 S4 -","2","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0525","0.0391","","","0.0931","0.1052","","","","","","1.056","","","","has coordinates","290787","2024-04-04","15:31:03",""
"7159869","17.7804","0.0015","9.5679","0.0008","15.6535","0.0011","90","","106.559","0.003","90","","2552.5","0.4","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 S2 -","- C30 H28 N2 S2 -","- C120 H112 N8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1112","0.0545","","","0.1521","0.1994","","","","","","1.145","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159870","11.2732","0.0007","15.3186","0.0011","26.6578","0.0018","90","","90","","90","","4603.5","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","- C224 H192 N16 S16 -","8","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0841","0.0456","","","0.1291","0.1749","","","","","","1.133","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159871","11.5558","0.0007","13.4475","0.0009","16.2668","0.0011","90","","98.667","0.002","90","","2498.9","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N2 S2 -","- C28 H36 N2 S2 -","- C112 H144 N8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0998","0.0499","","","0.1351","0.1951","","","","","","1.134","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159872","11.0557","0.0011","11.7243","0.0012","13.4222","0.0014","99.778","0.003","108.497","0.003","113.542","0.003","1421.9","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N4 S2 -","- C32 H34 N4 S2 -","- C64 H68 N8 S4 -","2","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1299","0.0597","","","0.1479","0.2129","","","","","","1.029","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159873","8.3117","0.0003","40.3059","0.0011","15.5696","0.0004","90","","90.987","0.001","90","","5215.2","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O2 S2 -","- C30 H28 N2 O2 S2 -","- C240 H224 N16 O16 S16 -","8","2","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0991","0.0484","","","0.1022","0.1304","","","","","","1.045","","","","has coordinates","290787","2024-04-04","15:31:07",""
"7159874","14.936","0.002","7.915","0.0011","20.365","0.003","90","","109.947","0.004","90","","2263.1","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","- C112 H96 N8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.1691","0.0775","","","0.1883","0.2531","","","","","","1.223","","","","has coordinates","290787","2024-04-04","15:31:15",""
"7159875","16.7536","0.0011","20.1967","0.0013","7.9477","0.0005","90","","90","","90","","2689.2","0.3","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H28 N2 O2 S2 -","- C30 H28 N2 O2 S2 -","- C120 H112 N8 O8 S8 -","4","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0692","0.0385","","","0.0944","0.1223","","","","","","1.091","","","","has coordinates","290787","2024-04-04","15:31:16",""
"7159876","26.1309","0.0017","7.8519","0.0004","12.858","0.0009","90","","112.938","0.002","90","","2429.6","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O2 S2 -","- C28 H24 N2 O2 S2 -","- C112 H96 N8 O8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.059","0.0371","","","0.0899","0.1099","","","","","","1.046","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159877","23.932","0.007","9.723","0.003","12.611","0.004","90","","113.816","0.01","90","","2684.6","1.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N2 O2 S2 -","- C28 H36 N2 O2 S2 -","- C112 H144 N8 O8 S8 -","4","0.5","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0847","0.0488","","","0.1243","0.1584","","","","","","1.081","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159878","12.016","0.004","14.397","0.005","15.879","0.006","72.225","0.009","77.082","0.011","88.777","0.01","2546.4","1.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 S2 -","- C30 H28 N2 S2 -","- C120 H112 N8 S8 -","4","2","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0843","0.0497","","","0.1484","0.1882","","","","","","1.253","","","","has coordinates","290787","2024-04-04","15:31:18",""
"7159879","7.1212","0.0001","12.502","0.0001","12.8247","0.0001","90","","95.551","0.001","90","","1136.42","0.02","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","1","","Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai","Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.","Organic & biomolecular chemistry","2024","22","16","3279","3286","10.1039/d4ob00093e","","x-ray","1.54184","CuKα","","0.0363","0.0339","","","0.1013","0.1034","","","","","","1.097","","","","has coordinates","291688","2024-05-05","04:01:37",""
"7159880","10.0374","0.0001","12.7461","0.0001","15.5693","0.0002","90","","93.567","0.001","90","","1988.04","0.04","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C104 H96 O12 -","4","1","","Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai","Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.","Organic & biomolecular chemistry","2024","22","16","3279","3286","10.1039/d4ob00093e","","x-ray","1.54184","CuKα","","0.0357","0.034","","","0.0845","0.0859","","","","","","1.056","","","","has coordinates","291688","2024-05-05","04:01:39",""
"7159881","14.0054","0.0011","13.9608","0.0011","7.3675","0.0006","90","","97.698","0.002","90","","1427.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C68 H52 N4 O8 S4 -","4","1","","Sheela, Kalleshappa; Santhosh, Chikkappaiahnayaka; Singh, Krishna Ravi; Sharath, Kalleshappa; Sadashiva, Maralinganadoddi P.","An efficient synthesis of mono-, di-, and tri-substituted 1,3-thiazoles employing functionalized thioamides as thiocarbonyl precursors.","Organic & biomolecular chemistry","2024","22","17","3490","3501","10.1039/d4ob00229f","","","0.71073","MoKα","","0.0776","0.065","","","0.1363","0.142","","","","","","1.134","","","","has coordinates","291681","2024-05-05","03:57:24",""
"7159882","12.3903","0.0001","32.0048","0.0002","10.893","0.0001","90","","103.329","0.001","90","","4203.25","0.06","190","","190","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 B Br2 Cl3 N O6 -","- C49 H29 B Br2 Cl3 N O6 -","- C196 H116 B4 Br8 Cl12 N4 O24 -","4","1","","Tsutsui, Yuya; Yanaka, Issei; Takeda, Kazuhiro; Kondo, Masaru; Takizawa, Shinobu; Kojima, Ryosuke; Konishi, Akihito; Yasuda, Makoto","Selective recognition between aromatics and aliphatics by cage-shaped borates supported by a machine learning approach.","Organic & biomolecular chemistry","2024","22","21","4283","4291","10.1039/d4ob00408f","","x-ray","1.54184","CuKα","","0.0361","0.0334","","","0.0917","0.0939","","","","","","1.053","","","","has coordinates,has disorder","293277","2024-07-05","18:00:32",""
"7159883","14.3033","0.0002","16.7148","0.0002","20.3372","0.0002","87.393","0.001","77.102","0.001","80.178","0.001","4669.87","0.1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H38 B Cl2 N O6 -","- C61 H38 B Cl2 N O6 -","- C244 H152 B4 Cl8 N4 O24 -","4","2","","Tsutsui, Yuya; Yanaka, Issei; Takeda, Kazuhiro; Kondo, Masaru; Takizawa, Shinobu; Kojima, Ryosuke; Konishi, Akihito; Yasuda, Makoto","Selective recognition between aromatics and aliphatics by cage-shaped borates supported by a machine learning approach.","Organic & biomolecular chemistry","2024","22","21","4283","4291","10.1039/d4ob00408f","","x-ray","1.54184","CuKα","","0.0644","0.0576","","","0.1614","0.1683","","","","","","1.037","","","","has coordinates,has disorder","293277","2024-07-05","18:00:32",""
"7159884","11.45","0.02","8.899","0.016","17.03","0.03","90","","101.8","0.03","90","","1699","5","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","Wu, Yinsong; Shi, Guanghao; Liu, Yanan; Kong, Yangzilin; Wu, Mengdi; Wang, Demao; Wu, Xiaobing; Shang, Yongjia; He, Xinwei","A rhodium-catalyzed cascade C-H activation/annulation strategy for the expeditious assembly of pyrrolidinedione-fused 1,2-benzothiazines.","Organic & biomolecular chemistry","2024","22","17","3523","3532","10.1039/d4ob00193a","","x-ray","0.71073","MoKα","","0.0505","0.0391","","","0.1077","0.116","","","","","","1.053","","","","has coordinates","291685","2024-05-05","03:59:25",""
"7159885","13.0408","0.0008","7.8341","0.0005","11.5786","0.0008","90","","95.948","0.006","90","","1176.54","0.13","295.64","0.1","295.64","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","Zhang, Yixin; Yang, Zhu; Yang, Hongjun; Li, Xuefeng; Yang, Lu","Generation of sulfones utilizing β-sulfinyl esters as masked aryl sulfinates under redox-neutral conditions.","Organic & biomolecular chemistry","2024","22","17","3381","3385","10.1039/d4ob00238e","","x-ray","1.54184","CuKα","","0.105","0.0981","","","0.2493","0.2639","","","","","","1.945","","","","has coordinates","291683","2024-05-05","03:58:24",""
"7159886","8.99824","0.00007","13.13119","0.00009","17.7977","0.00013","90","","90","","90","","2102.93","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","","Gao, Siyu; Sun, Xiang; Peng, Sijie; Zha, Zhenggen; Sun, Qi; Wang, Zhiyong","A copper-catalyzed asymmetric Friedel-Crafts hydroxyalkylation of pyrazole-4,5-diones with 5-aminoisoxazoles.","Organic & biomolecular chemistry","2024","22","17","3391","3395","10.1039/d4ob00322e","","x-ray","1.54184","CuKα","","0.0439","0.0434","","","0.1143","0.1151","","","","","","1.079","","","","has coordinates","291684","2024-05-05","03:58:56",""
"7159887","24.242","0.018","8.394","0.004","17.127","0.012","90","","99.39","0.04","90","","3438","4","292","2","292","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 O2 P -","- C21 H19 O2 P -","- C168 H152 O16 P8 -","8","1","","Ma, Jiangkai; Wang, Lianjie; Qiao, Anjiang; Li, Zhongxian; Zhao, Fengqian; Wu, Junliang","Synthesis of alkenylphosphine oxides <i>via</i> Tf<sub>2</sub>O promoted addition-elimination of ketones and secondary phosphine oxides.","Organic & biomolecular chemistry","2024","22","18","3592","3596","10.1039/d4ob00318g","","","0.71073","MoKα","","0.0579","0.0403","","","0.0995","0.1081","","","","","","1.067","","","","has coordinates","293265","2024-07-05","17:58:47",""
"7159888","7.3799","0.0001","13.7636","0.0003","11.7474","0.0002","90","","91.648","0.001","90","","1192.74","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Lukoyanov, Alexander A.; Aksenova, Svetlana A.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu","3-Halo-5,6-dihydro-4<i>H</i>-1,2-oxazine <i>N</i>-oxides as synthetic equivalents of unsaturated nitrile oxides in the [3 + 2]-cycloaddition with arynes: synthesis of substituted 3-vinyl-1,2-benzisoxazoles.","Organic & biomolecular chemistry","2024","22","18","3615","3621","10.1039/d4ob00391h","","","0.71073","MoKα","","0.0334","0.0314","","","0.0796","0.0815","","","","","","1.038","","","","has coordinates","293268","2024-07-05","17:59:13",""
"7159889","8.15719","0.00007","16.7171","0.00015","12.13404","0.00008","90","","92.339","0.0007","90","","1653.27","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Lukoyanov, Alexander A.; Aksenova, Svetlana A.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu","3-Halo-5,6-dihydro-4<i>H</i>-1,2-oxazine <i>N</i>-oxides as synthetic equivalents of unsaturated nitrile oxides in the [3 + 2]-cycloaddition with arynes: synthesis of substituted 3-vinyl-1,2-benzisoxazoles.","Organic & biomolecular chemistry","2024","22","18","3615","3621","10.1039/d4ob00391h","","x-ray","1.54184","CuKα","","0.034","0.0337","","","0.0908","0.091","","","","","","1.097","","","","has coordinates","293268","2024-07-05","17:59:14",""
"7159890","6.0794","0.0002","13.0587","0.0004","17.7262","0.0006","90","","90","","90","","1407.27","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Barik, Rasmita; Nanda, Samik","Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, and F and 2,9-humuladien-6-ol-8-one.","Organic & biomolecular chemistry","2024","22","22","4478","4487","10.1039/d4ob00393d","","x-ray","0.71073","MoKα","","0.0553","0.0463","","","0.0543","0.0552","","","","2.68","2.68","2.51","","","","has coordinates","293238","2024-07-05","17:53:58",""
"7159891","9.7763","0.0012","14.2275","0.0014","12.0706","0.0016","90","","107.436","0.014","90","","1601.8","0.4","297.6","0.6","297.6","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","2","","Barik, Rasmita; Nanda, Samik","Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, and F and 2,9-humuladien-6-ol-8-one.","Organic & biomolecular chemistry","2024","22","22","4478","4487","10.1039/d4ob00393d","","x-ray","0.71073","MoKα","","0.4427","0.164","","","0.3375","0.4664","","","","","","0.994","","","","has coordinates","293238","2024-07-05","17:53:58",""
"7159892","13.672","0.0011","11.8313","0.0009","17.7342","0.0012","90","","103.345","0.003","90","","2791.2","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl N2 O -","- C34 H29 Cl N2 O -","- C136 H116 Cl4 N8 O4 -","4","1","","Pari, Keerthana; Fazlur-Rahman, Nawaz Khan","Copper-catalyzed dehydrogenative cyclization/alkenylation towards dihydroquinolinones.","Organic & biomolecular chemistry","2024","22","20","4163","4171","10.1039/d4ob00134f","","","0.71073","MoKα","","0.1192","0.0549","","","0.1147","0.1524","","","","","","1.03","","","","has coordinates","293260","2024-07-05","17:57:42",""
"7159893","3.62939","0.00006","17.4327","0.0003","10.06875","0.00017","90","","99.9049","0.0016","90","","627.555","0.019","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6.18 N3 O2.59 -","- C5 H6.1808 N3 O2.5904 -","- C20 H24.7232 N12 O10.3616 -","4","1","","Gerasimova, Tatiana P.; Zagidullin, Almaz A.; Nikolaeva, Anastasiia N.; Fayzullin, Robert R.; Saitova, Aliya M.; Miluykov, Vasili A.; Grimme, Stefan; Katsyuba, Sergey A.","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.","Organic & biomolecular chemistry","2024","22","18","3668","3683","10.1039/d4ob00404c","","x-ray","1.54184","CuKα","","0.0383","0.0382","","","0.1058","0.1059","","","","","","1.061","","","","has coordinates,has disorder","293266","2024-07-05","17:58:59",""
"7159894","11.6092","0.0005","15.2706","0.0007","15.2983","0.0007","90","","102.064","0.001","90","","2652.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H8 N4 O4 -","- C7 H8 N4 O4 -","- C84 H96 N48 O48 -","12","6","","Gerasimova, Tatiana P.; Zagidullin, Almaz A.; Nikolaeva, Anastasiia N.; Fayzullin, Robert R.; Saitova, Aliya M.; Miluykov, Vasili A.; Grimme, Stefan; Katsyuba, Sergey A.","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.","Organic & biomolecular chemistry","2024","22","18","3668","3683","10.1039/d4ob00404c","","x-ray","0.71073","MoKα","","0.0677","0.0509","","","0.1269","0.1401","","","","","","1.044","","","","has coordinates","293266","2024-07-05","17:58:59",""
"7159895","8.1404","0.0003","8.4811","0.0004","9.2843","0.0004","86.9918","0.0011","85.9992","0.0011","68.7003","0.001","595.49","0.04","162","2","162","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 K N5 O5 -","- C8 H10 K N5 O5 -","- C16 H20 K2 N10 O10 -","2","1","","Gerasimova, Tatiana P.; Zagidullin, Almaz A.; Nikolaeva, Anastasiia N.; Fayzullin, Robert R.; Saitova, Aliya M.; Miluykov, Vasili A.; Grimme, Stefan; Katsyuba, Sergey A.","Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.","Organic & biomolecular chemistry","2024","22","18","3668","3683","10.1039/d4ob00404c","","x-ray","0.71073","MoKα","","0.0446","0.0315","","","0.075","0.0808","","","","","","1.045","","","","has coordinates","293266","2024-07-05","17:58:59",""
"7159896","13.2329","0.0018","9.328","0.0011","19.219","0.003","90","","102.019","0.005","90","","2320.3","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 -","- C31 H26 N2 -","- C124 H104 N8 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakroborty, Sayonika","Cu(OTf)<sub>2</sub>/HFIP catalyzed regioselective cycloisomerization of indole-C3-functionalized alkynols to carbazoles.","Organic & biomolecular chemistry","2024","22","18","3622","3629","10.1039/d4ob00421c","","","0.71073","MoKα","","0.0952","0.0794","","","0.2235","0.2386","","","","","","1.034","","","","has coordinates","293262","2024-07-05","17:58:18",""
"7159897","9.6614","0.0012","12.3016","0.0017","12.4047","0.0016","66.465","0.004","77.764","0.005","82.339","0.005","1319","0.3","298","2","298","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H27 N -","- C37 H27 N -","- C74 H54 N2 -","2","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakroborty, Sayonika","Cu(OTf)<sub>2</sub>/HFIP catalyzed regioselective cycloisomerization of indole-C3-functionalized alkynols to carbazoles.","Organic & biomolecular chemistry","2024","22","18","3622","3629","10.1039/d4ob00421c","","","0.71073","MoKα","","0.1829","0.104","","","0.2546","0.2919","","","","","","0.97","","","","has coordinates","293262","2024-07-05","17:58:18",""
"7159898","10.7077","0.0008","9.2729","0.0007","25.954","0.002","90","","98.298","0.003","90","","2550","0.3","298","2","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N2 -","- C35 H28 N2 -","- C140 H112 N8 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum; Chakroborty, Sayonika","Cu(OTf)<sub>2</sub>/HFIP catalyzed regioselective cycloisomerization of indole-C3-functionalized alkynols to carbazoles.","Organic & biomolecular chemistry","2024","22","18","3622","3629","10.1039/d4ob00421c","","","0.71073","MoKα","","0.0667","0.0514","","","0.1382","0.1462","","","","","","1.064","","","","has coordinates","293262","2024-07-05","17:58:18",""
"7159899","3.7249","0.0002","9.6327","0.0004","12.9466","0.0005","90","","92.843","0.003","90","","463.96","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxyphenazin-2(10H)-one","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C24 H16 N4 O4 -","2","1","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.","Organic & biomolecular chemistry","2024","22","20","4077","4088","10.1039/d4ob00387j","","x-ray","0.71073","MoKα","","0.0384","0.0349","","","0.0981","0.0999","","","","","","1.11","","","","has coordinates","293261","2024-07-05","17:57:53",""
"7159900","3.7817","0.0002","9.718","0.0006","12.9407","0.0006","90","","92.15","0.005","90","","475.24","0.04","299.5","0.18","299.5","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","3-hydroxyphenazin-2(10H)-one","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C24 H16 N4 O4 -","2","1","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.","Organic & biomolecular chemistry","2024","22","20","4077","4088","10.1039/d4ob00387j","","x-ray","0.71073","MoKα","","0.0688","0.0466","","","0.1192","0.1294","","","","","","1.043","","","","has coordinates","293261","2024-07-05","17:57:54",""
"7159901","23.4299","0.0013","4.904","0.0002","23.6545","0.0014","90","","115.944","0.007","90","","2444","0.3","299.68","0.16","299.68","0.16","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(methoxymethoxy)phenazin-2-ol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.","Organic & biomolecular chemistry","2024","22","20","4077","4088","10.1039/d4ob00387j","","x-ray","0.71073","MoKα","","0.1106","0.049","","","0.1105","0.1313","","","","","","1.003","","","","has coordinates","293261","2024-07-05","17:57:54",""
"7159902","23.2329","0.001","4.8344","0.0002","23.5477","0.0011","90","","116.157","0.006","90","","2374","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(methoxymethoxy)phenazin-2-ol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke","Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.","Organic & biomolecular chemistry","2024","22","20","4077","4088","10.1039/d4ob00387j","","x-ray","0.71073","MoKα","","0.061","0.0425","","","0.1011","0.1078","","","","","","1.061","","","","has coordinates","293261","2024-07-05","17:57:54",""
"7159903","11.812","0.002","15.31","0.003","11.343","0.002","90","","112.195","0.005","90","","1899.3","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br Cl2 N O2 S -","- C18 H18 Br Cl2 N O2 S -","- C72 H72 Br4 Cl8 N4 O8 S4 -","4","1","","Bora, Surjya Kumar; Biswas, Subhamoy; Behera, Bipin Kumar; Saikia, Anil K.","Stereoselective synthesis of <i>gem</i>-dihalopiperidines <i>via</i> the halo-aza-Prins cyclization reaction: access to piperidin-4-ones and pyridines.","Organic & biomolecular chemistry","2024","22","19","3893","3903","10.1039/d4ob00338a","","","0.71073","MoKα","","0.0746","0.0596","","","0.1888","0.207","","","","","","1.071","","","","has coordinates","293246","2024-07-05","17:55:44",""
"7159904","25.82","0.0006","6.09696","0.00014","12.748","0.0003","90","","94.7721","0.0017","90","","1999.88","0.08","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","1","","Arai, Shigeru; Nakazawa, Koichi; Yang, Xiao-Fei; Nakajima, Masaya; Harada, Shinji; Nishida, Atsushi","Nickel-catalysed regio- and stereoselective hydrocyanation of alkynoates and its mechanistic insights proposed by DFT calculations.","Organic & biomolecular chemistry","2024","22","18","3606","3610","10.1039/d4ob00380b","","","1.54187","CuKα","","","0.0425","","","","0.1085","","","","","","1.027","","","","has coordinates","293267","2024-07-05","17:59:05",""
"7159905","16.591","0.01","7.19","0.004","15.695","0.009","90","","93.373","0.017","90","","1869","1.9","297","2","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Cl O2 -","- C25 H15 Cl O2 -","- C100 H60 Cl4 O8 -","4","1","","Jaiswal, Gaurav; Pan, Subhas Chandra","BBr<sub>3</sub>-mediated dearomative spirocyclization of biaryl ynones: facile access to spiro[5.5]dienones.","Organic & biomolecular chemistry","2024","22","18","3602","3605","10.1039/d4ob00274a","","","0.71073","MoKα","","0.0576","0.0432","","","0.091","0.1019","","","","","","1.05","","","","has coordinates","293271","2024-07-05","17:59:34",""
"7159906","9.459","0.004","18.5","0.007","11.372","0.004","90","","114.575","0.012","90","","1809.7","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,6-diphenyl-3-(p-tolyl)-2H-pyran-2-one","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Nguyen, Cao Nguyen; Nguyen, Duc Toan; Tran, Ha An; Mac, Dinh Hung; Nguyen, Thi Thu Tram; Retailleau, Pascal; Nguyen, Thanh Binh","Base- and sulfur-promoted oxidative lactonization of chalcone-acetate Michael adducts: access to pyran-2-ones.","Organic & biomolecular chemistry","2024","22","19","3871","3875","10.1039/d4ob00479e","","","1.54187","CuKα","","0.0944","0.064","","","0.1492","0.1895","","","","","","1.023","","","","has coordinates","293249","2024-07-05","17:56:18",""
"7159907","4.788","0.0012","10.509","0.003","16.019","0.004","90.169","0.003","91.422","0.003","90.026","0.003","805.8","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 F3 N2 O S -","- C18 H13 F3 N2 O S -","- C36 H26 F6 N4 O2 S2 -","2","1","","Wang, Si-Yu; Liu, Chu; Yang, Wei; Tian, Zhong-Ying; Yuan, Lin; Xie, Long-Yong","Efficient synthesis of SCF<sub>3</sub>-containing 3-alkenylquinoxalinones <i>via</i> three-component radical cascade reaction.","Organic & biomolecular chemistry","2024","22","18","3740","3745","10.1039/d4ob00363b","","","0.71073","MoKα","","0.0582","0.0449","","","0.1232","0.134","","","","","","1.052","","","","has coordinates","293269","2024-07-05","17:59:20",""
"7159908","7.965","0.003","12.839","0.004","18.595","0.006","90","","90","","90","","1901.6","1.1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O6 -","- C25 H16 O6 -","- C100 H64 O24 -","4","1","","Beck, Pedro S.; Leitão, Arthur G; Santana, Yasmin B.; Correa, José R; Rodrigues, Carime V. S.; Machado, Daniel F. S.; Matos, Guilherme D. R.; Ramos, Luciana M.; Gatto, Claudia C.; Oliveira, Sarah C. C.; Andrade, Carlos K. Z.; Neto, Brenno A. D.","Revisiting Biginelli-like reactions: solvent effects, mechanisms, biological applications and correction of several literature reports.","Organic & biomolecular chemistry","2024","22","18","3630","3651","10.1039/d4ob00272e","","","0.71073","MoKα","","0.0865","0.0441","","","0.0894","0.1036","","","","","","0.884","","","","has coordinates","293264","2024-07-05","17:58:39",""
"7159909","13.7999","0.0004","15.4016","0.0004","27.5518","0.0008","87.085","0.002","81.887","0.002","82.628","0.002","5746.1","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H108 Br4 N8 O16 S8 -","- C124 H108 Br4 N8 O16 S8 -","- C248 H216 Br8 N16 O32 S16 -","2","1","","Khan, Salman; Chatterjee, Abhradeep; Nair, Akshay M.; Volla, Chandra M. R.","A highly diastereoselective one-pot Ugi/radical spirocyclization/aza-Michael addition sequence.","Organic & biomolecular chemistry","2024","22","19","3887","3892","10.1039/d4ob00610k","","x-ray","0.71073","MoKα","","0.1215","0.0811","","","0.212","0.2553","","","","","","1.037","","","","has coordinates","293245","2024-07-05","17:55:27",""
"7159910","13.093","0.0001","19.0071","0.0002","8.6034","0.0001","90","","104.253","0.001","90","","2075.14","0.04","301.54","0.1","301.54","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F2 N O3 S2 -","- C23 H17 F2 N O3 S2 -","- C92 H68 F8 N4 O12 S8 -","4","1","","Li, Xuemin; Shi, Haofeng; He, Jiaxin; Wu, Jialiang; Sun, Fengxia; Du, Yunfei","Synthesis of deuteriodifluoromethylthiolated isocoumarins-1-imines and isocoumarins enabled by multi-component reagents system (MCRS).","Organic & biomolecular chemistry","2024","22","19","3882","3886","10.1039/d4ob00328d","","x-ray","1.54184","CuKα","","0.077","0.0722","","","0.2244","0.2296","","","","","","1.09","","","","has coordinates","293248","2024-07-05","17:56:03",""
"7159911","9.56","0.0008","17.5287","0.0018","9.6337","0.001","90","","100.077","0.002","90","","1589.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester","2-Amino-benzoic acid 2-chloro-6-methyl-quinolin-3-ylmethyl ester","","- C18 H15 Cl N2 O2 -","- C18 H15 Cl N2 O2 -","- C72 H60 Cl4 N8 O8 -","4","1","","Siddique, Sidra; Hussain, Khalid; Shehzadi, Naureen; Arshad, Muhammad; Arshad, Muhammad Nadeem; Iftikhar, Sadaf; Saghir, Farhat; Shaukat, Ayisha; Sarfraz, Muhammad; Ahmed, Nisar","Design, synthesis, biological evaluation and molecular docking studies of quinoline-anthranilic acid hybrids as potent anti-inflammatory drugs.","Organic & biomolecular chemistry","2024","22","18","3708","3724","10.1039/d4ob00040d","","","0.71073","MoKα","","0.1448","0.0727","","","0.1909","0.235","","","","","","1.074","","","","has coordinates","293263","2024-07-05","17:58:31",""
"7159912","10.5689","0.0015","10.5689","0.0015","8.3975","0.0017","90","","90","","120","","812.3","0.2","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C9 H18 B N -","- C9 H18 B N -","- C27 H54 B3 N3 -","3","0.333333","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","0.9699","synchrotron","","0.1009","0.0721","","","0.161","0.1861","","","","","","0.871","","","","has coordinates","293275","2024-07-05","18:00:17",""
"7159913","8.6952","0.0002","10.1193","0.0002","17.1397","0.0004","90","","90","","90","","1508.11","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","0.71073","MoKα","","0.0557","0.0485","","","0.1193","0.124","","","","","","1.045","","","","has coordinates,has disorder","293275","2024-07-05","18:00:17",""
"7159914","10.7916","0.0004","6.2242","0.0002","11.7768","0.0004","90","","108.897","0.002","90","","748.4","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 N2 O S -","- C14 H22 N2 O S -","- C28 H44 N4 O2 S2 -","2","1","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","0.71073","MoKα","","0.0347","0.0316","","","0.075","0.0767","","","","","","1.039","","","","has coordinates","293275","2024-07-05","18:00:17",""
"7159915","22.02359","0.00016","9.06591","0.00006","18.14329","0.0001","90","","90","","90","","3622.56","0.04","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H40 B Cu F2 O2 P2 -","- C40 H40 B Cu F2 O2 P2 -","- C160 H160 B4 Cu4 F8 O8 P8 -","4","1","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","1.54184","CuKα","","0.0278","0.0275","","","0.0738","0.0741","","","","","","1.032","","","","has coordinates","293275","2024-07-05","18:00:17",""
"7159916","14.0344","0.0003","18.8088","0.0003","18.9839","0.0004","90","","90.5447","0.0019","90","","5010.96","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B Cu F4 P4 -","- C52 H48 B Cu F4 P4 -","- C208 H192 B4 Cu4 F16 P16 -","4","1","","Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu","Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.","Organic & biomolecular chemistry","2024","22","23","4680","4696","10.1039/d4ob00291a","","","1.54184","CuKα","","0.1466","0.1164","","","0.2282","0.247","","","","","","1.031","","","","has coordinates","293275","2024-07-05","18:00:17",""
"7159917","9.392","0.0001","12.6535","0.0002","14.9156","0.0002","90","","102.255","0.002","90","","1732.2","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Ca N2 O S -","- C19 H15 Ca N2 O S -","- C76 H60 Ca4 N8 O4 S4 -","4","1","","Wang, Qing; Shao, Chukai; Hua, Ruirui; Yin, Hongquan; Chen, Fu-Xue","Me<sub>3</sub>SiBr-promoted cascade electrophilic thiocyanation/cyclization of <i>ortho</i>-alkynylanilines to synthesize indole derivatives.","Organic & biomolecular chemistry","2024","22","20","4031","4035","10.1039/d4ob00367e","","","1.54184","CuKα","","0.0834","0.0788","","","0.2472","0.2539","","","","","","1.081","","","","has coordinates","293256","2024-07-05","17:57:12",""
"7159918","20.5567","0.0002","11.19093","0.00014","9.50595","0.00012","90","","90","","90","","2186.83","0.04","100","0.1","100","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H18 Cl F O3 S -","- C28 H18 Cl F O3 S -","- C112 H72 Cl4 F4 O12 S4 -","4","1","","Roy, Barnali; Kuila, Puspendu; Jha, Sangam; Sarkar, Debayan","BF<sub>3</sub>·Et<sub>2</sub>O-assisted synthesis of sulfinylated spiro[5.5]trienones from biaryl ynones.","Organic & biomolecular chemistry","2024","22","21","4292","4296","10.1039/d3ob02010j","","x-ray","1.54184","CuKα","","0.0447","0.0435","","","0.1241","0.1261","","","","","","1.0452","","","","has coordinates","293286","2024-07-05","18:02:17",""
"7159919","10.85251","0.00018","9.76803","0.00017","20.3019","0.0003","90","","99.4241","0.0017","90","","2123.11","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 F O3 S -","- C27 H17 F O3 S -","- C108 H68 F4 O12 S4 -","4","1","","Roy, Barnali; Kuila, Puspendu; Jha, Sangam; Sarkar, Debayan","BF<sub>3</sub>·Et<sub>2</sub>O-assisted synthesis of sulfinylated spiro[5.5]trienones from biaryl ynones.","Organic & biomolecular chemistry","2024","22","21","4292","4296","10.1039/d3ob02010j","","x-ray","1.54184","CuKα","","0.0637","0.0587","","","0.1719","0.1771","","","","","","1.078","","","","has coordinates","293286","2024-07-05","18:02:17",""
"7159920","11.0543","0.0016","7.6061","0.0011","18.348","0.003","90","","97.582","0.003","90","","1529.2","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","2","","Gallardo-Rosas, D; Guevara-Vela, J M; Rocha-Rinza, T; Toscano, R. A.; López-Cortés, J G; Ortega-Alfaro, M C","Structure and isomerization behavior relationships of new push-pull azo-pyrrole photoswitches.","Organic & biomolecular chemistry","2024","22","20","4123","4134","10.1039/d4ob00417e","","","0.71073","MoKα","","0.1416","0.0604","","","0.1182","0.1567","","","","","","0.998","","","","has coordinates","293258","2024-07-05","17:57:26",""
"7159921","20.4669","0.0003","8.1277","0.0001","21.7889","0.0004","90","","90","","90","","3624.56","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C192 H120 N8 O32 -","8","1","","Kumar Yadav, Anup; Yadav, Dhananjay; Kumar, Vipin; Ray, Subhasish; Singh, Maya Shankar","PIDA-promoted metal-free [3 + 2] heteroannulation of β-ketothioamides with 4-hydroxy coumarins: chemo-/regioselective access to furo[3,2-<i>c</i>]chromen-4-ones at room temperature.","Organic & biomolecular chemistry","2024","22","21","4326","4331","10.1039/d4ob00438h","","x-ray","1.54184","CuKα","","0.0538","0.0413","","","0.1101","0.119","","","","","","1.038","","","","has coordinates","293280","2024-07-05","18:01:15",""
"7159922","11.5055","0.0005","22.2353","0.0008","8.1847","0.0004","90","","107.478","0.005","90","","1997.21","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C104 H76 N4 O16 -","4","1","","Kumar Yadav, Anup; Yadav, Dhananjay; Kumar, Vipin; Ray, Subhasish; Singh, Maya Shankar","PIDA-promoted metal-free [3 + 2] heteroannulation of β-ketothioamides with 4-hydroxy coumarins: chemo-/regioselective access to furo[3,2-<i>c</i>]chromen-4-ones at room temperature.","Organic & biomolecular chemistry","2024","22","21","4326","4331","10.1039/d4ob00438h","","x-ray","1.54184","CuKα","","0.1524","0.097","","","0.2593","0.3435","","","","","","1.015","","","","has coordinates","293280","2024-07-05","18:01:15",""
"7159923","6.1921","0.0006","11.958","0.0015","32.979","0.004","90","","91.359","0.01","90","","2441.2","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Liu, Yan; Yang, Qin; Wang, Wei; Fu, Yang; Ding, Qiuping; Peng, Yiyuan","Visible-light-induced three-component reactions of α-diazoesters, quinazolinones and cyclic ethers toward quinazoline-based hybrids.","Organic & biomolecular chemistry","2024","22","21","4332","4346","10.1039/d4ob00295d","","x-ray","0.71073","MoKα","","0.17","0.1175","","","0.2527","0.2823","","","","","","1.072","","","","has coordinates","293285","2024-07-05","18:02:00",""
"7159924","12.5878","0.0004","9.5702","0.0003","21.3754","0.0006","90","","90","","90","","2575.05","0.14","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N3 O -","- C16 H9 N3 O -","- C128 H72 N24 O8 -","8","1","","Feng, Heng; Huo, Jie; Mu, Xiaonan; Zheng, Renhua; Geng, Xiao; Wang, Lei","BPO-promoted [4 + 2] cyclization of enaminones and <i>o</i>-phenylenediamines to 2-acyl quinoxalines <i>via</i> a cascade transamination and C-H amination.","Organic & biomolecular chemistry","2024","22","20","4067","4071","10.1039/d4ob00494a","","","1.54178","CuKα","","0.0427","0.035","","","0.0972","0.1004","","","","","","1.069","","","","has coordinates","293257","2024-07-05","17:57:18",""
"7159925","5.5136","0.0004","7.5778","0.0006","11.5822","0.0009","78.459","0.001","82.801","0.002","77.467","0.001","461.13","0.06","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C18 H24 O8 -","2","2","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.","Organic & biomolecular chemistry","2024","22","19","3979","3985","10.1039/d4ob00449c","","","1.54178","CuKα","","0.1001","0.0688","","","0.1576","0.1778","","","","","","1.053","","","","has coordinates","293247","2024-07-05","17:55:54",""
"7159926","8.005","","10.685","","26.893","","90","","90","","90","","2300.25","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O3 -","- C25 H42 O3 -","- C100 H168 O12 -","4","1","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.","Organic & biomolecular chemistry","2024","22","19","3979","3985","10.1039/d4ob00449c","","","1.54178","CuKα","","0.09","0.0867","","","0.25","0.2563","","","","","","1.066","","","","has coordinates","293247","2024-07-05","17:55:54",""
"7159927","7.9393","0.0003","12.0041","0.0005","12.3904","0.0005","86.79","0.002","89.802","0.002","73.896","0.002","1132.65","0.08","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H42 O3 -","- C25 H42 O3 -","- C50 H84 O6 -","2","2","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.","Organic & biomolecular chemistry","2024","22","19","3979","3985","10.1039/d4ob00449c","","","1.54178","CuKα","","0.083","0.0701","","","0.232","0.2412","","","","","","1.087","","","","has coordinates","293247","2024-07-05","17:55:54",""
"7159928","9.6026","0.0003","10.9032","0.0003","15.9038","0.0005","80.907","0.003","89.846","0.002","80.988","0.002","1623.48","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 I N O2 -","- C16 H22 I N O2 -","- C64 H88 I4 N4 O8 -","4","2","","François, Jordan; Jacolot, Maïwenn; Popowycz, Florence","Borrowing hydrogen <i>C</i>-alkylation with secondary saturated heterocyclic alcohols.","Organic & biomolecular chemistry","2024","22","22","4502","4507","10.1039/d4ob00543k","","x-ray","1.54184","CuKα","","0.0634","0.0565","","","0.1498","0.1555","","","","","","1.04","","","","has coordinates","293239","2024-07-05","17:54:12",""
"7159929","8.0358","0.0003","10.9125","0.0004","12.2549","0.0005","90","","90.715","0.001","90","","1074.56","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C48 H50 N2 O8 -","2","1","","You, Pengyuan; Liu, Minjie; Zhang, Ke; Yang, Fan; Tan, Zequn; Chen, Fener","Highly enantio- and diastereoselective construction of spirocyclic oxindoles <i>via</i> a palladium-catalyzed decarboxylative asymmetric [4 + 2] annulation strategy.","Organic & biomolecular chemistry","2024","22","22","4466","4471","10.1039/d4ob00518j","","","1.34139","GaKα","","0.0305","0.0295","","","0.078","0.0793","","","","","","1.059","","","","has coordinates,has disorder","293237","2024-07-05","17:53:40",""
"7159930","28.6642","0.0005","8.551","0.0002","17.5757","0.0003","90","","116.701","0.001","90","","3848.55","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C184 H168 N24 O16 -","8","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Pytskii, Ivan S.; Raitman, Oleg A.; Selivantev, Yuriy M.; Mityanov, Vitaly S.","Three-component cascade reaction of 3-ketonitriles, 2-unsubstituted imidazole <i>N</i>-oxides, and aldehydes.","Organic & biomolecular chemistry","2024","22","21","4297","4308","10.1039/d4ob00353e","","","0.71073","MoKα","","0.054","0.0434","","","0.1075","0.1151","","","","","","1.03","","","","has coordinates","293284","2024-07-05","18:01:47",""
"7159931","13.8855","0.0002","10.0424","0.0002","29.2647","0.0005","90","","90","","90","","4080.78","0.12","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl2 N3 O2 -","- C22 H18 Cl2 N3 O2 -","- C176 H144 Cl16 N24 O16 -","8","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Pytskii, Ivan S.; Raitman, Oleg A.; Selivantev, Yuriy M.; Mityanov, Vitaly S.","Three-component cascade reaction of 3-ketonitriles, 2-unsubstituted imidazole <i>N</i>-oxides, and aldehydes.","Organic & biomolecular chemistry","2024","22","21","4297","4308","10.1039/d4ob00353e","","","0.71073","MoKα","","0.0453","0.0354","","","0.0888","0.0951","","","","","","1.024","","","","has coordinates","293284","2024-07-05","18:01:48",""
"7159932","13.4764","0.0002","8.598","0.0002","17.6336","0.0003","90","","100.61","0.001","90","","2008.27","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O S -","- C23 H21 N3 O S -","- C92 H84 N12 O4 S4 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Pytskii, Ivan S.; Raitman, Oleg A.; Selivantev, Yuriy M.; Mityanov, Vitaly S.","Three-component cascade reaction of 3-ketonitriles, 2-unsubstituted imidazole <i>N</i>-oxides, and aldehydes.","Organic & biomolecular chemistry","2024","22","21","4297","4308","10.1039/d4ob00353e","","","0.71073","MoKα","","0.0575","0.0478","","","0.1191","0.1258","","","","","","1.048","","","","has coordinates","293284","2024-07-05","18:01:48",""
"7159933","10.6494","0.0003","10.3451","0.0003","21.0786","0.0006","90","","98.471","0.001","90","","2296.88","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N4 O4 -","- C26 H25 N4 O4 -","- C104 H100 N16 O16 -","4","1","","Uvarova, Ekaterina S.; Kutasevich, Anton V.; Lipatov, Egor S.; Pytskii, Ivan S.; Raitman, Oleg A.; Selivantev, Yuriy M.; Mityanov, Vitaly S.","Three-component cascade reaction of 3-ketonitriles, 2-unsubstituted imidazole <i>N</i>-oxides, and aldehydes.","Organic & biomolecular chemistry","2024","22","21","4297","4308","10.1039/d4ob00353e","","","0.71073","MoKα","","0.0752","0.0515","","","0.1185","0.1324","","","","","","1.053","","","","has coordinates,has disorder","293284","2024-07-05","18:01:48",""
"7159934","7.8953","0.0002","10.688","0.0002","10.9838","0.0002","68.919","0.002","77.025","0.002","82.949","0.002","841.85","0.03","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F2 N2 O6 -","- C18 H12 F2 N2 O6 -","- C36 H24 F4 N4 O12 -","2","1","","Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin","K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.","Organic & biomolecular chemistry","2024","22","20","4108","4122","10.1039/d4ob00488d","","x-ray","0.71073","MoKα","","0.0456","0.0389","","","0.0995","0.1035","","","","","","1.068","","","","has coordinates","293259","2024-07-05","17:57:35",""
"7159935","7.4292","0.0003","16.5544","0.0008","12.3299","0.0005","90","","96.297","0.004","90","","1507.26","0.11","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Br Cl N O4 -","- C14 H13 Br Cl N O4 -","- C56 H52 Br4 Cl4 N4 O16 -","4","1","","Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin","K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.","Organic & biomolecular chemistry","2024","22","20","4108","4122","10.1039/d4ob00488d","","x-ray","0.71073","MoKα","","0.0478","0.0387","","","0.0854","0.0884","","","","","","1.024","","","","has coordinates","293259","2024-07-05","17:57:35",""
"7159936","8.2481","0.0002","10.2725","0.0002","10.6752","0.0002","68.739","0.002","77.265","0.002","87.293","0.002","821.66","0.03","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O3 -","- C18 H12 Cl2 N2 O3 -","- C36 H24 Cl4 N4 O6 -","2","1","","Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin","K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.","Organic & biomolecular chemistry","2024","22","20","4108","4122","10.1039/d4ob00488d","","x-ray","0.71073","MoKα","","0.0431","0.0382","","","0.0997","0.1031","","","","","","1.067","","","","has coordinates","293259","2024-07-05","17:57:35",""
"7159937","8.0746","0.0002","8.2867","0.0003","16.9277","0.0003","95.59","0.002","98.647","0.002","114.34","0.003","1004.16","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 N2 O6 -","- C20 H16 Cl2 N2 O6 -","- C40 H32 Cl4 N4 O12 -","2","1","","Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin","K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.","Organic & biomolecular chemistry","2024","22","20","4108","4122","10.1039/d4ob00488d","","x-ray","0.71073","MoKα","","0.0464","0.0397","","","0.103","0.1073","","","","","","1.055","","","","has coordinates","293259","2024-07-05","17:57:35",""
"7159938","8.3489","0.0004","5.0069","0.0002","18.757","0.0007","90","","91.038","0.002","90","","783.95","0.06","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8.5 H10 O3 -","- C8.5 H10 O3 -","- C34 H40 O12 -","4","2","","Pocock, Ian A.; Doulcet, Julien; Rice, Craig R.; Sweeney, Joseph B.; Gill, Duncan M.","Stereocontrolled synthesis of the aconitine D ring from D-glucose.","Organic & biomolecular chemistry","2024","22","21","4347","4352","10.1039/d4ob00561a","","","1.54178","CuKα","","0.0946","0.0881","","","0.2285","0.2359","","","","","","1.0507","","","","has coordinates","293279","2024-07-05","18:00:46",""
"7159939","16.3847","0.0004","17.7511","0.0005","18.5322","0.0005","90","","107.632","0.001","90","","5136.8","0.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N O4 P -","- C29 H24 N O4 P -","- C232 H192 N8 O32 P8 -","8","1","","Liu, Xian; Hao, Liqiang; Wang, Yangyang; Yu, Xiao; Yang, Zhaoziyuan; Liu, Yiping; Ji, Yafei","Cu<sub>2</sub>O-catalyzed cascade phosphinylation/cyclization of 2'-aminochalcones for the synthesis of hemi-indigo derivatives.","Organic & biomolecular chemistry","2024","22","21","4249","4253","10.1039/d4ob00594e","","","1.54178","CuKα","","0.0531","0.0475","","","0.1345","0.1447","","","","","","1.095","","","","has coordinates,has disorder","293283","2024-07-05","18:01:37",""
"7159940","7.4391","0.0003","15.3129","0.0006","10.5379","0.0004","90","","96.299","0.003","90","","1193.17","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C62 H48 N4 O12 -","2","1","","Eguchi, Shiori; Naoe, Mami; Kageyama, Asako; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from intramolecular excimer emission of bis-1,8-naphthalimide derivatives.","Organic & biomolecular chemistry","2024","22","21","4318","4325","10.1039/d4ob00413b","","","1.54184","CuKα","","0.0553","0.0521","","","0.1308","0.1338","","","","","","1.011","","","","has coordinates","293282","2024-07-05","18:01:28",""
"7159941","8.5837","0.0008","16.3187","0.0015","19.3809","0.0017","90","","90","","90","","2714.8","0.4","299","","299","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N3 O4 -","- C25 H24 Br N3 O4 -","- C100 H96 Br4 N12 O16 -","4","1","","Liu, Jiamin; Wei, Xingfu; Wang, Yue; Qu, Jingping; Wang, Baomin","Asymmetric synthesis of atropisomeric arylpyrazoles <i>via</i> direct arylation of 5-aminopyrazoles with naphthoquinones.","Organic & biomolecular chemistry","2024","22","21","4254","4263","10.1039/d4ob00514g","","","0.71073","MoKα","","0.0944","0.0539","","","0.1205","0.1364","","","","","","1.02","","","","has coordinates","293278","2024-07-05","18:00:39",""
"7159942","5.4408","0.0006","10.6295","0.0014","26.948","0.003","90","","90","","90","","1558.5","0.3","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","","Chen, Weihao; Jiang, Jiahui; Pang, Xiaoyan; Song, Yingying; Yang, Zhiyou; Wang, Junfeng; Liu, Yonghong","Neuroprotective azaphilones from a deep-sea derived fungus <i>Penicillium</i> sp. SCSIO41030.","Organic & biomolecular chemistry","2024","22","22","4521","4527","10.1039/d4ob00586d","","x-ray","1.54184","CuKα","","0.1047","0.0784","","","0.2248","0.2448","","","","","","1.107","","","","has coordinates","293235","2024-07-05","17:53:27",""
"7159943","5.6306","0.0002","22.6115","0.0008","12.114","0.0005","90","","93.781","0.004","90","","1538.95","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","2","","Chen, Weihao; Jiang, Jiahui; Pang, Xiaoyan; Song, Yingying; Yang, Zhiyou; Wang, Junfeng; Liu, Yonghong","Neuroprotective azaphilones from a deep-sea derived fungus <i>Penicillium</i> sp. SCSIO41030.","Organic & biomolecular chemistry","2024","22","22","4521","4527","10.1039/d4ob00586d","","x-ray","1.54184","CuKα","","0.0656","0.0613","","","0.1706","0.174","","","","","","1.04","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7159944","16.4932","0.0006","6.85772","0.00019","8.9304","0.0003","90","","104.86","0.003","90","","976.3","0.06","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","(+)-Asperilactone B monohydrate","3,6-Anhydro–2,8-dideoxy-D-glycero-D-ido-octono-1,4-lactone monohydrate","","- C8 H14 O6 -","- C8 H14 O6 -","- C32 H56 O24 -","4","1","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","1.54184","CuKα","","0.0362","0.0335","","","0.089","0.0923","","","","","","1.046","","","","has coordinates,has disorder","293231","2024-07-05","17:52:17",""
"7159945","16.5089","0.0003","6.8583","0.00011","8.9344","0.00019","90","","104.846","0.002","90","","977.81","0.03","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","(-)-Asperilactone B monohydrate","3,6-Anhydro-2,8-dideoxy-L-glycero-L-ido-octono-1,4-lactone monohydrate","","- C8 H14 O6 -","- C8 H14 O6 -","- C32 H56 O24 -","4","1","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","1.54184","CuKα","","0.0365","0.0348","","","0.0902","0.0919","","","","","","1.058","","","","has coordinates,has disorder","293231","2024-07-05","17:52:19",""
"7159946","5.37102","0.00006","12.47818","0.00012","26.7627","0.0003","90","","90","","90","","1793.65","0.03","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2,8-dideoxy-L-glycero-D-ido-octono-1,4-lactone","3,6-Anhydro-2,8-dideoxy-L-glycero-D-ido-octono-1,4-lactone","","- C8 H12 O5 -","- C8 H12 O5 -","- C64 H96 O40 -","8","2","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","1.54184","CuKα","","0.031","0.0292","","","0.0731","0.0747","","","","","","1.064","","","","has coordinates","293231","2024-07-05","17:52:27",""
"7159947","8.5474","0.0005","5.4514","0.0003","9.7185","0.0006","90","","109.269","0.007","90","","427.47","0.05","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O5 -","- C8 H12 O5 -","- C16 H24 O10 -","2","1","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","0.71073","MoKα","","0.0455","0.0363","","","0.0787","0.0841","","","","","","1.066","","","","has coordinates","293231","2024-07-05","17:52:29",""
"7159948","5.48541","0.00005","10.62294","0.00008","15.21442","0.00014","90","","90","","90","","886.562","0.013","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2,8-dideoxy-D-glycero-L-gluco-octono-1,4-lactone","3,6-Anhydro-2,8-dideoxy-D-glycero-L-gluco-octono-1,4-lactone","","- C8 H12 O5 -","- C8 H12 O5 -","- C32 H48 O20 -","4","1","","Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana","First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.","Organic & biomolecular chemistry","2024","22","24","4864","4867","10.1039/d4ob00583j","","x-ray","1.54184","CuKα","","0.0317","0.0317","","","0.0872","0.0872","","","","","","1.093","","","","has coordinates","293231","2024-07-05","17:52:38",""
"7159949","7.6269","0.0002","12.3105","0.0003","23.0037","0.0005","90","","91.242","0.002","90","","2159.33","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O4 S -","- C22 H29 N O4 S -","- C88 H116 N4 O16 S4 -","4","1","","Ning, Chao; Yu, Zi-Qi; Wei, Yin; Shi, Min","Palladium catalyzed stereoselective intramolecular [3 + 2] cycloaddition reactions of (<i>E</i>) & (<i>Z</i>)-ene-vinylidenecyclopropanes.","Organic & biomolecular chemistry","2024","22","22","4445","4449","10.1039/d4ob00607k","","","1.34139","GaKα","","0.085","0.0462","","","0.1002","0.1144","","","","","","1.022","","","","has coordinates","293236","2024-07-05","17:53:34",""
"7159950","8.8399","0.0003","10.9638","0.0005","14.662","0.0006","71.065","0.001","82.388","0.001","67.804","0.001","1244.45","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 F N O4 S -","- C27 H30 F N O4 S -","- C54 H60 F2 N2 O8 S2 -","2","1","","Ning, Chao; Yu, Zi-Qi; Wei, Yin; Shi, Min","Palladium catalyzed stereoselective intramolecular [3 + 2] cycloaddition reactions of (<i>E</i>) & (<i>Z</i>)-ene-vinylidenecyclopropanes.","Organic & biomolecular chemistry","2024","22","22","4445","4449","10.1039/d4ob00607k","","","0.71073","MoKα","","0.0575","0.0438","","","0.101","0.1097","","","","","","1.046","","","","has coordinates","293236","2024-07-05","17:53:34",""
"7159951","13.1061","0.0007","8.2101","0.0004","16.7736","0.0009","90","","90.719","0.006","90","","1804.74","0.16","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 S Si -","- C18 H20 O3 S Si -","- C72 H80 O12 S4 Si4 -","4","1","","Takatsuki, Masaharu; Aoyama, Hiroshi; Arisawa, Mitsuhiro; Sako, Makoto","Brønsted acid-catalyzed synthesis of spirocyclobutanes <i>via</i> heteroannulation of vinyloxyphenylbicyclobutanes with water.","Organic & biomolecular chemistry","2024","22","23","4727","4731","10.1039/d4ob00451e","","","1.54187","CuKα","","0.0554","0.0485","","","0.1192","0.1295","","","","","","1.044","","","","has coordinates","293273","2024-07-05","17:59:49",""
"7159952","9.4607","0.0003","11.8094","0.0004","10.5546","0.0003","90","","113.879","0.001","90","","1078.28","0.06","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.18 H2.18 F0.55 N0.18 -","- C2.18182 H2.18182 F0.545455 N0.181818 -","- C48 H48 F12 N4 -","22","5.5","","Arora, Shivani; Singh, Tavinder; Singh, Anand","Photocatalytic C2-trifluoroethylation and perfluoroalkylation of 3-substituted indoles using fluoroalkyl halides.","Organic & biomolecular chemistry","2024","22","21","4278","4282","10.1039/d4ob00392f","","","0.71073","MoKα","","0.053","0.0503","","","0.1428","0.1455","","","","","","1.075","","","","has coordinates","293281","2024-07-05","18:01:22",""
"7159953","12.24","0.0003","9.634","0.0003","24.0129","0.0005","90","","92","0.002","90","","2829.88","0.13","297.82","0.1","297.82","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H I N O S -","- C3.5 H2.875 I0.25 N0.125 O0.625 S0.125 -","- C112 H92 I8 N4 O20 S4 -","32","8","","Kanikarapu, Suresh; Prasad, Rangu; Sethi, Manoj; Sahoo, Akhila K.","Gold(I)-catalysed cyclisation of (<i>E</i>)-ketene-<i>N</i>,<i>O</i>-acetals: a synthetic route toward spiro-oxazole-γ-lactones.","Organic & biomolecular chemistry","2024","22","23","4672","4679","10.1039/d4ob00551a","","x-ray","0.71073","MoKα","","0.0582","0.0434","","","0.1573","0.1689","","","","","","1.213","","","","has coordinates","293272","2024-07-05","17:59:43",""
"7159954","9.4305","0.0007","11.9858","0.0009","20.8802","0.0017","90","","100.87","0.002","90","","2317.8","0.3","101","","101","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl Ir N2 O2 -","- C26 H28 Cl Ir N2 O2 -","- C104 H112 Cl4 Ir4 N8 O8 -","4","1","","Bakibillah, Md; Reja, Sahin; Sarkar, Kaushik; Mukherjee, Deboshmita; Sarkar, Dilip; Roy, Sumana; Almutairi, Tahani Mazyad; Islam, Mohammad Shahidul; Das, Rajesh Kumar","Cp*Ir(III) complexes catalyzed solvent-free synthesis of quinolines, pyrroles and pyridines <i>via</i> an ADC strategy.","Organic & biomolecular chemistry","2024","22","23","4704","4719","10.1039/d4ob00459k","","","1.54178","CuKα","","0.0306","0.0303","","","0.0837","0.0839","","","","","","1.198","","","","has coordinates","293276","2024-07-05","18:00:23",""
"7159955","21.144","0.007","7.159","0.002","15.509","0.005","90","","90","","90","","2347.6","1.3","293.15","","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C112 H88 Cl8 N16 -","8","2","","Biswas, Subrata; Roy, Arnab; Duari, Surajit; Maity, Srabani; Elsharif, Asma M.; Biswas, Srijit","Brønsted acid-catalyzed regioselective ring opening of 2<i>H</i>-azirines by 2-mercaptopyridines and related heterocycles; one pot access to imidazo[1,2-<i>a</i>]pyridines and imidazo[2,1-<i>b</i>]thiazoles.","Organic & biomolecular chemistry","2024","22","23","4697","4703","10.1039/d4ob00410h","","","0.71073","MoKα","","0.0671","0.047","","","0.1148","0.1299","","","","","","1.063","","","","has coordinates","293274","2024-07-05","18:00:04",""
"7159956","9.9416","0.001","7.4402","0.001","28.624","0.004","90","","91.123","0.004","90","","2116.8","0.5","299","","299","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","1","","Ahamad, Jarish; Khan, Faiz Ahmed","Biomimetic total syntheses of renifolin F and antiarone K.","Organic & biomolecular chemistry","2024","22","24","4877","4881","10.1039/d4ob00651h","","","0.71073","MoKα","","0.092","0.0505","","","0.1158","0.1364","","","","","","1.0614","","","","has coordinates","293234","2024-07-05","17:53:16",""
"7159957","15.6918","0.0003","5.05931","0.00011","21.7368","0.0005","90","","108","0.002","90","","1641.22","0.06","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O2 -","- C25 H16 O2 -","- C100 H64 O8 -","4","1","","Kurokawa, Kazuma; Ogawa, Naoki; Kuroda, Yusuke; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Chromic properties of dibenzo[<i>j</i>,<i>l</i>]fluoranthenes exhibiting different resonance contributions.","Organic & biomolecular chemistry","2024","22","26","5306","5313","10.1039/d4ob00750f","","","1.54184","CuKα","","0.0434","0.0384","","","0.1051","0.1081","","","","","","1.0419","","","","has coordinates","293243","2024-07-05","17:54:55",""
"7159958","13.1867","0.0006","14.987","0.0006","8.0323","0.0004","90","","98.777","0.004","90","","1568.83","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(azidomethyl)-N9-phenyl-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C72 H56 N16 O12 -","4","1","","Arora, Aditi; Kumar, Sumit; Kumar, Sandeep; Dua, Amita; Singh, Brajendra K.","Synthesis, characterization and photophysical studies of dual-emissive base-modified fluorescent nucleosides.","Organic & biomolecular chemistry","2024","22","24","4922","4939","10.1039/d4ob00749b","","x-ray","0.71073","MoKα","","0.0715","0.0457","","","0.1123","0.1229","","","","","","1.073","","","","has coordinates","293232","2024-07-05","17:52:48",""
"7159959","14.0219","0.0003","7.5128","0.0002","19.5632","0.0005","90","","110.926","0.001","90","","1924.93","0.08","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N O3 S2 -","- C20 H16 Br N O3 S2 -","- C80 H64 Br4 N4 O12 S8 -","4","1","","Jain, Anshul; Yadav, Vinay K.; Kumari, Akanksha; Saha, Suman K.; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Supported-amine-catalyzed cascade synthesis of spiro-thiazolone-tetrahydrothiophenes: assessing HSA binding activity.","Organic & biomolecular chemistry","2024","22","25","5087","5092","10.1039/d4ob00619d","","","0.71073","MoKα","","0.0344","0.0287","","","0.0707","0.0738","","","","","","1.087","","","","has coordinates","293252","2024-07-05","17:56:44",""
"7159960","24.63533","0.00017","24.63533","0.00017","20.6517","0.00017","90","","90","","120","","10854.3","0.14","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C468 H522 N54 O54 -","18","1","","Chen, Jia-Zhen; Wang, Zhong-Xia","Ruthenium-catalyzed C-H functionalization of indoles and indolines with 7-azabenzonorbornadienes: access to aminodihydronaphthyl indoles and indolines.","Organic & biomolecular chemistry","2024","22","25","5159","5169","10.1039/d4ob00678j","","x-ray","1.54184","CuKα","","0.0414","0.0394","","","0.1081","0.1102","","","","","","1.026","","","","has coordinates","293253","2024-07-05","17:56:53",""
"7159961","7.1717","0.0002","10.4991","0.0004","17.0401","0.0006","101.248","0.003","90.923","0.003","107.566","0.003","1195.87","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C52 H62 N6 O6 -","2","1","","Chen, Jia-Zhen; Wang, Zhong-Xia","Ruthenium-catalyzed C-H functionalization of indoles and indolines with 7-azabenzonorbornadienes: access to aminodihydronaphthyl indoles and indolines.","Organic & biomolecular chemistry","2024","22","25","5159","5169","10.1039/d4ob00678j","","x-ray","1.54184","CuKα","","0.0467","0.0399","","","0.1102","0.1162","","","","","","1.043","","","","has coordinates","293253","2024-07-05","17:56:54",""
"7159962","22.033","0.002","13.718","0.002","10.1323","0.0012","90","","97.804","0.003","90","","3034.1","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H N O P -","- C3.2 H3.2 N0.2 O0.6 P0.2 -","- C128 H128 N8 O24 P8 -","40","5","","Sun, Runbo; Junpeng, Yang; Zhang, Zheng; Luo, Ruihang; Tang, Wentao; Liu, Xinyu; Liu, Xiaoyong; Ding, Anjun; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu","Efficient synthesis of α-amino-vinylphosphine oxides from alkyl nitriles <i>via</i> manganese-catalyzed phosphinoenamination.","Organic & biomolecular chemistry","2024","22","24","4993","5000","10.1039/d4ob00489b","","","0.71073","MoKα","","0.1135","0.0881","","","0.2345","0.2628","","","","","","1.037","","","","has coordinates","293233","2024-07-05","17:52:58",""
"7159963","13.6697","0.0005","10.2676","0.0004","18.2714","0.0007","90","","109.391","0.001","90","","2419.01","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O3 -","- C28 H30 N4 O3 -","- C112 H120 N16 O12 -","4","1","","Kharlamova, Alisa D.; Ermakova, Elizaveta V.; Abel, Anton S.; Gontcharenko, Victoria E.; Cheprakov, Andrei V.; Averin, Alexei D.; Beletskaya, Irina P.; Andraud, Chantal; Bretonnière, Yann; Bessmertnykh-Lemeune, Alla","Quinoxaline-based azamacrocycles: synthesis, AIE behavior and acidochromism.","Organic & biomolecular chemistry","2024","22","25","5181","5192","10.1039/d4ob00558a","","","0.71073","MoKα","","0.0746","0.0585","","","0.1528","0.1669","","","","","","1.063","","","","has coordinates,has disorder","293250","2024-07-05","17:56:27",""
"7159964","10.9847","0.0006","9.3266","0.0004","15.323","0.0008","90","","107.14","0.006","90","","1500.12","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 O S -","- C16 H13 Cl N2 O S -","- C64 H52 Cl4 N8 O4 S4 -","4","1","","Rana, Shally; Shaw, Ranjay; Pratap, Ramendra","Influence of steric hindrance on the 1,4- <i>versus</i> 1,6-Michael addition: synthesis of furans and pentasubstituted benzenes.","Organic & biomolecular chemistry","2024","22","26","5361","5373","10.1039/d4ob00686k","","","0.71073","MoKα","","0.0614","0.0454","","","0.1035","0.1109","","","","","","1.004","","","","has coordinates","293241","2024-07-05","17:54:37",""
"7159965","7.4509","0.0005","8.5535","0.0006","13.4726","0.0009","87.055","0.002","83.603","0.002","79.582","0.002","838.78","0.1","302","2","302","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 O3 S2 -","- C16 H20 O3 S2 -","- C32 H40 O6 S4 -","2","1","","Rana, Shally; Shaw, Ranjay; Pratap, Ramendra","Influence of steric hindrance on the 1,4- <i>versus</i> 1,6-Michael addition: synthesis of furans and pentasubstituted benzenes.","Organic & biomolecular chemistry","2024","22","26","5361","5373","10.1039/d4ob00686k","","","0.71073","MoKα","","0.0514","0.0458","","","0.1361","0.1407","","","","","","1.125","","","","has coordinates","293241","2024-07-05","17:54:37",""
"7159966","35.11","0.04","5.38","0.006","15.739","0.018","90","","94.649","0.016","90","","2963","6","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 O -","- C21 H14 N2 O -","- C168 H112 N16 O8 -","8","1","","Ghosh, Swarnali; Das, Dwaipayan; Mandal, Rahul Dev; Das, Asish R.","Harnessing the benzyne insertion consequence to enable π-extended pyrido-acridine and quinazolino-phenanthridine.","Organic & biomolecular chemistry","2024","22","27","5591","5602","10.1039/d4ob00533c","","x-ray","0.71073","MoKα","","0.0795","0.0498","","","0.1252","0.1433","","","","","","1.017","","","","has coordinates","293934","2024-08-05","19:58:59",""
"7159967","26.7","0.04","6.71","0.02","22.55","0.04","90","","92.5","0.09","90","","4036","15","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cl2 N4 -","- C20 H14 Cl2 N4 -","- C160 H112 Cl16 N32 -","8","1","","Ghosh, Swarnali; Das, Dwaipayan; Mandal, Rahul Dev; Das, Asish R.","Harnessing the benzyne insertion consequence to enable π-extended pyrido-acridine and quinazolino-phenanthridine.","Organic & biomolecular chemistry","2024","22","27","5591","5602","10.1039/d4ob00533c","","x-ray","1.54178","CuKα","","0.163","0.0978","","","0.2548","0.2683","","","","","","1.038","","","","has coordinates","293934","2024-08-05","19:58:59",""
"7159968","8.2846","0.0005","11.5452","0.0007","17.4901","0.001","90","","90","","90","","1672.88","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","8b","","- C20 H18 Cl N O2 -","- C20 H18 Cl N O2 -","- C80 H72 Cl4 N4 O8 -","4","1","","Song, Peidong; Rong, Haojie; Meng, Tingting; Cui, Zhe; Mao, Mingzhen; Yang, Cuifeng","Quinoline-derived NNP-manganese complex catalyzed α-alkylation of ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","25","5112","5116","10.1039/d4ob00827h","","","1.54178","CuKα","","0.0223","0.0216","","","0.053","0.0535","","","","","","1.057","","","","has coordinates","293254","2024-07-05","17:57:00",""
"7159969","10.989","0.007","11.463","0.008","17.763","0.013","96.22","0.02","97.254","0.018","106.44","0.017","2104","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H12 O3 -","- C18 H12 O3 -","- C108 H72 O18 -","6","3","","Hemamalini, Vijayakumar; Shanthi, Markabandhu; Shankar, Bhaskaran; Dandela, Rambabu; Perumal, Karuppaiah; Ramesh, Subburethinam","Visible-light promoted oxidative annulation of 2-naphthols with phenylglyoxal monohydrates toward hydroxy-naphthofuranone and its derivatives.","Organic & biomolecular chemistry","2024","22","26","5314","5324","10.1039/d4ob00693c","","","0.71073","MoKα","","0.1421","0.0702","","","0.1395","0.1687","","","","","","1.022","","","","has coordinates,has disorder","293240","2024-07-05","17:54:30",""
"7159970","8.7791","0.0011","24.495","0.003","13.0852","0.0017","90","","93.387","0.005","90","","2809","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","2","","Hemamalini, Vijayakumar; Shanthi, Markabandhu; Shankar, Bhaskaran; Dandela, Rambabu; Perumal, Karuppaiah; Ramesh, Subburethinam","Visible-light promoted oxidative annulation of 2-naphthols with phenylglyoxal monohydrates toward hydroxy-naphthofuranone and its derivatives.","Organic & biomolecular chemistry","2024","22","26","5314","5324","10.1039/d4ob00693c","","","0.71073","MoKα","","0.053","0.0458","","","0.1046","0.1081","","","","","","1.099","","","","has coordinates","293240","2024-07-05","17:54:30",""
"7159971","27.7031","0.0018","13.0253","0.001","9.5007","0.0005","90","","93.854","0.006","90","","3420.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C74 H80 N6 O11 -","- C74 H80 N6 O11 -","- C148 H160 N12 O22 -","2","1","","Barlow, Sean R.; Tomkinson, David; Halcovitch, Nathan R.; Evans, Nicholas H.","Rapid synthesis of hydrogen bond templated handcuff rotaxanes.","Organic & biomolecular chemistry","2024","22","26","5393","5400","10.1039/d4ob00672k","","x-ray","1.54184","CuKα","","0.13","0.1052","","","0.3054","0.3275","","","","","","1.22","","","","has coordinates,has disorder","293242","2024-07-05","17:54:45",""
"7159972","12.317","0.003","12.681","0.003","18.882","0.004","97.653","0.006","104.022","0.007","92.139","0.007","2828.4","1.1","175.06","","175.06","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cl N O7 S -","- C25 H24 Cl N O7 S -","- C100 H96 Cl4 N4 O28 S4 -","4","2","","Roy, Arnab; Duari, Surajit; Maity, Srabani; Biswas, Subrata; Mishra, Abhishek Kumar; Biswas, Srijit","Regioselective Brønsted acid catalyzed ring opening of aziridines by phenols and thiophenols; a gateway to access functionalized indolines, indoles, benzothiazines, dihydrobenzo-thiazines, benzo-oxazines and benzochromenes.","Organic & biomolecular chemistry","2024","22","27","5653","5664","10.1039/d4ob00196f","","","0.71073","MoKα","","0.1467","0.0673","","","0.1618","0.2138","","","","","","0.984","","","","has coordinates","293931","2024-08-05","19:58:18",""
"7159973","10.744","0.004","18.229","0.008","13.664","0.005","90","","96.484","0.015","90","","2659","1.8","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br Cl2 N4 O2 -","- C30 H19 Br Cl2 N4 O2 -","- C120 H76 Br4 Cl8 N16 O8 -","4","1","","Bokam, Ramesh; Munipalle, Kiran; Appa Rao Annam, S Ch V; Gundoju, Narayanarao; Raju Chowhan, L.; Ponnapalli, Mangala Gowri","A one-pot ultrasound-assisted regio and stereoselective synthesis of indenoquinoxaline engrafted spiropyrrolidines.","Organic & biomolecular chemistry","2024","22","25","5150","5158","10.1039/d4ob00288a","","","0.71073","MoKα","","0.0694","0.0482","","","0.1171","0.1308","","","","","","1.022","","","","has coordinates","293251","2024-07-05","17:56:34",""
"7159974","16.9016","0.0015","8.643","0.0008","21.0199","0.0019","90","","108.891","0.003","90","","2905.2","0.5","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N2 O2 -","- C40 H30 N2 O2 -","- C160 H120 N8 O8 -","4","1","","Yashmin, Sabina; A M, Karthik; Khan, Abu Taleb","Utilization of DMSO as a solvent-cum-reactant: synthesis of fused 2-aryl-4-methylquinolines.","Organic & biomolecular chemistry","2024","22","27","5608","5617","10.1039/d4ob00938j","","","0.71073","MoKα","","0.1337","0.0781","","","0.1632","0.2003","","","","","","1.149","","","","has coordinates","293932","2024-08-05","19:58:28",""
"7159975","9.6313","0.0002","8.3277","0.0002","18.8433","0.0003","90","","95.67","0.002","90","","1503.96","0.05","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N3 O7 P -","- C11 H14 N3 O7 P -","- C44 H56 N12 O28 P4 -","4","1","","Pathak, Jalaj Kumar; Kant, Ruchir; Rastogi, Namrata","Chemodivergent phosphonylation of diazocarboxylates: light-on <i>vs</i>. light-off reactions.","Organic & biomolecular chemistry","2024","22","25","5224","5228","10.1039/d4ob00573b","","x-ray","1.54184","CuKα","","0.0699","0.0649","","","0.177","0.1822","","","","","","1.078","","","","has coordinates","293255","2024-07-05","17:57:06",""
"7159976","13.9738","0.0007","7.6693","0.0004","22.8201","0.0014","90","","106.684","0.004","90","","2342.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H63 Cl N4 O5 Si3 -","- C42 H63 Cl N4 O5 Si3 -","- C84 H126 Cl2 N8 O10 Si6 -","2","1","","Lakshman, Mahesh K.; Malinchak, Casina T.; Shank, Nathaniel; Neary, Michelle C.; Stahl, Lothar","Purinyl <i>N</i>-directed aroylation of 6-arylpurine ribo- and 2'-deoxyribonucleosides, and mechanistic insights.","Organic & biomolecular chemistry","2024","22","33","6718","6726","10.1039/d4ob00689e","","","1.54178","CuKα","","0.1502","0.129","","","0.3283","0.3493","","","","","","1.039","","","","has coordinates,has disorder","294623","2024-09-06","01:54:35",""
"7159977","9.9632","0.0002","11.4926","0.0002","12.0157","0.0002","91.285","0.001","98.94","0.001","113.264","0.001","1243.28","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32.5 H23.5 N4 O -","- C32.5 H23.5 N4 O -","- C65 H47 N8 O2 -","2","1","","Lakshman, Mahesh K.; Malinchak, Casina T.; Shank, Nathaniel; Neary, Michelle C.; Stahl, Lothar","Purinyl <i>N</i>-directed aroylation of 6-arylpurine ribo- and 2'-deoxyribonucleosides, and mechanistic insights.","Organic & biomolecular chemistry","2024","22","33","6718","6726","10.1039/d4ob00689e","","","0.71073","MoKα","","0.0536","0.0452","","","0.1197","0.1275","","","","","","1.045","","","","has coordinates","294623","2024-09-06","01:54:35",""
"7159978","8.7766","0.0008","9.6982","0.0009","13.2431","0.0013","99.818","0.004","98.95","0.004","101.433","0.004","1067.53","0.18","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","2","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0589","0.0442","","","0.1135","0.1217","","","","","","1.076","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159979","7.5748","0.0003","12.5331","0.0004","13.9255","0.0005","91.813","0.001","97.617","0.001","102.826","0.001","1275.11","0.08","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl3 N3 O2 -","- C11 H8 Cl3 N3 O2 -","- C44 H32 Cl12 N12 O8 -","4","2","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0452","0.0423","","","0.1151","0.1177","","","","","","0.991","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159980","12.4737","0.0004","7.2411","0.0002","15.4718","0.0005","90","","106.044","0.001","90","","1343.03","0.07","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I N3 O3 -","- C12 H12 I N3 O3 -","- C48 H48 I4 N12 O12 -","4","1","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0633","0.0542","","","0.1479","0.1549","","","","","","1.072","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159981","11.3126","0.0016","6.7487","0.001","16.077","0.002","90","","109.264","0.005","90","","1158.7","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br F N3 O2 -","- C11 H9 Br F N3 O2 -","- C44 H36 Br4 F4 N12 O8 -","4","1","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0388","0.0361","","","0.1091","0.1118","","","","","","1.131","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159982","9.3897","0.0001","9.3897","0.0001","28.9002","0.0006","90","","90","","90","","2548.03","0.07","298","","298","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C96 H96 Cl8 N24 O16 -","8","1","","Lin, Bohong; Ruan, Yaoping; Hou, Qi; Yuan, Zhijun; Liang, Yunshi; Zhang, Jing","Regioselective 5-<i>exo-dig</i> (halo)cyclization of <i>N</i>-propargyloxycarbonyl guanidine derivatives under mild conditions.","Organic & biomolecular chemistry","2024","22","27","5585","5590","10.1039/d4ob00579a","","","0.71073","MoKα","","0.0469","0.0412","","","0.0979","0.1008","","","","","","1.043","","","","has coordinates","293933","2024-08-05","19:58:50",""
"7159983","14.3914","0.0001","14.3914","0.0001","27.1211","0.0001","90","","90","","120","","4864.57","0.05","108","5","108","5","","","","","","","synthesis","6","P 31 2 1","P 31 2""","152","","","","- C80.41 H60 Cl4 N4 O2 Zn -","- C80.406 H60 Cl4 N4 O2 Zn -","- C241.218 H180 Cl12 N12 O6 Zn3 -","3","0.5","","Kumar, Sundaravel Vivek; Olusegun, Jeremiah; Guiry, Patrick J.","Zn(II)-catalyzed asymmetric [3 + 2] cycloaddition of acyclic enones with azomethine ylides.","Organic & biomolecular chemistry","2024","22","35","7148","7153","10.1039/d4ob00854e","","x-ray","1.54184","CuKα","","0.0354","0.0351","","","0.0977","0.0981","","","","","","1.058","","","","has coordinates,has disorder","295338","2024-10-06","09:18:09",""
"7159984","5.6055","0.0001","7.638","0.0001","34.102","0.0006","90","","91.472","0.002","90","","1459.59","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 S3 -","- C17 H12 N2 S3 -","- C68 H48 N8 S12 -","4","1","","Inoue, Takumi; Morita, Nami; Amijima, Yui; Sakai, Rika; Hamada, Shohei; Nakamura, Seikou; Kobayashi, Yusuke; Furuta, Takumi","Formation of chalcogen-bonding interactions and their role in the <i>trans</i>-<i>trans</i> conformation of thiourea.","Organic & biomolecular chemistry","2024","22","26","5301","5305","10.1039/d4ob00723a","","x-ray","1.54184","CuKα","","0.0397","0.038","","","0.0944","0.0953","","","","","","1.132","","","","has coordinates","293244","2024-07-05","17:55:02",""
"7159985","10.0089","0.0004","11.1233","0.0005","12.0576","0.0005","104.087","0.001","108.984","0.001","90.413","0.002","1225.74","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 Br N2 O -","- C28 H33 Br N2 O -","- C56 H66 Br2 N4 O2 -","2","1","","Mamale, Ajay G.; Paul, Sayantan; Gonnade, Rajesh G.; Bhattacharya, Asish K.","1,6-Conjugate addition of <i>in situ</i> generated aryldiazenes to <i>p</i>-quinone methides.","Organic & biomolecular chemistry","2024","22","27","5636","5645","10.1039/d4ob00618f","","","0.71073","MoKα","","0.0306","0.0263","","","0.0673","0.0689","","","","","","1.057","","","","has coordinates","293937","2024-08-05","19:59:31",""
"7159986","18.1645","0.0007","11.6514","0.0004","25.2936","0.001","90","","90","","90","","5353.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C240 H304 N16 O16 -","8","1","","Mamale, Ajay G.; Paul, Sayantan; Gonnade, Rajesh G.; Bhattacharya, Asish K.","1,6-Conjugate addition of <i>in situ</i> generated aryldiazenes to <i>p</i>-quinone methides.","Organic & biomolecular chemistry","2024","22","27","5636","5645","10.1039/d4ob00618f","","","0.71073","MoKα","","0.1111","0.0487","","","0.096","0.1264","","","","","","1.047","","","","has coordinates","293937","2024-08-05","19:59:32",""
"7159987","12.2116","0.0009","19.303","0.0017","10.9565","0.0009","90","","106.653","0.002","90","","2474.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 -","- C28 H33 N3 O4 -","- C112 H132 N12 O16 -","4","1","","Mamale, Ajay G.; Paul, Sayantan; Gonnade, Rajesh G.; Bhattacharya, Asish K.","1,6-Conjugate addition of <i>in situ</i> generated aryldiazenes to <i>p</i>-quinone methides.","Organic & biomolecular chemistry","2024","22","27","5636","5645","10.1039/d4ob00618f","","","0.71073","MoKα","","0.0827","0.045","","","0.0956","0.1151","","","","","","1.03","","","","has coordinates","293937","2024-08-05","19:59:32",""
"7159988","7.8103","0.0007","13.6493","0.0013","17.9317","0.0014","90","","90","","90","","1911.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","SJG_DK_7_MEMB_TMS","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Gharpure, Santosh J.; Kalita, Deepika; Somani, Shipra; Pal, Juhi","Deciphering substitution effects on reductive hydroalkoxylation of alkynyl aminols for stereoselective synthesis of morpholines and 1,4-oxazepanes: total synthesis of tridemorph and fenpropimorph.","Organic & biomolecular chemistry","2024","22","27","5529","5533","10.1039/d4ob00855c","","x-ray","0.71073","MoKα","","0.084","0.0573","","","0.1211","0.1367","","","","","","0.987","","","","has coordinates","293938","2024-08-05","19:59:42",""
"7159989","10.267","0.0015","5.7556","0.0006","11.9973","0.0014","90","","98.887","0.012","90","","700.44","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","SJG_DK_03_273","","- C12 H16 N2 O5 S -","- C12 H16 N2 O5 S -","- C24 H32 N4 O10 S2 -","2","1","","Gharpure, Santosh J.; Kalita, Deepika; Somani, Shipra; Pal, Juhi","Deciphering substitution effects on reductive hydroalkoxylation of alkynyl aminols for stereoselective synthesis of morpholines and 1,4-oxazepanes: total synthesis of tridemorph and fenpropimorph.","Organic & biomolecular chemistry","2024","22","27","5529","5533","10.1039/d4ob00855c","","x-ray","0.71073","MoKα","","0.0976","0.0842","","","0.2061","0.2311","","","","","","1.024","","","","has coordinates","293938","2024-08-05","19:59:43",""
"7159990","9.3265","0.0001","9.3265","0.0001","12.2744","0.0002","88.792","0.001","88.792","0.001","80.488","0.001","1052.59","0.02","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Li, Mengfan; Chen, Yan; Tang, Hao; Cheng, Wen; Liao, Benren; Wang, Qingwei; Yi, Weiyin","One-pot formal [3 + 2] annulation of 2-pyridinyl-substituted <i>p</i>-quinone methides and arynes for the synthesis of 3-aryl pyrido[1,2-<i>a</i>]indoles.","Organic & biomolecular chemistry","2024","22","27","5618","5628","10.1039/d4ob00684d","","x-ray","1.54184","CuKα","","0.057","0.0505","","","0.1524","0.1603","","","","","","1.084","","","","has coordinates","293936","2024-08-05","19:59:13",""
"7159991","4.7332","0.0002","20.9652","0.0008","16.241","0.0006","90","","94.249","0.001","90","","1607.21","0.11","122","","122","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Quinazolinone","","- C21 H13 N3 O -","- C21 H13 N3 O -","- C84 H52 N12 O4 -","4","1","","Mondal, Shuvam; Jana, Ranjan","Green light-mediated dual eosin Y/Pd<sup>II</sup>-catalyzed C(sp<sup>2</sup>)-H arylation of N-H unprotected 2-arylquinazolinones.","Organic & biomolecular chemistry","2024","22","27","5540","5545","10.1039/d4ob00779d","","x-ray","1.54178","CuKα","","0.0465","0.0451","","","0.12","0.1214","","","","","","1.065","","","","has coordinates","293935","2024-08-05","19:59:06",""
"7159992","7.4997","0.0006","13.6212","0.0011","16.1797","0.0012","90","","93.812","0.004","90","","1649.2","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","QUINAZOLINONE","","- C84 H60 F4 N8 O8 -","- C84 H60 F4 N8 O8 -","- C84 H60 F4 N8 O8 -","1","0.25","","Mondal, Shuvam; Jana, Ranjan","Green light-mediated dual eosin Y/Pd<sup>II</sup>-catalyzed C(sp<sup>2</sup>)-H arylation of N-H unprotected 2-arylquinazolinones.","Organic & biomolecular chemistry","2024","22","27","5540","5545","10.1039/d4ob00779d","","x-ray","1.54178","CuKα","","0.0729","0.0682","","","0.1471","0.1533","","","","","","1.071","","","","has coordinates","293935","2024-08-05","19:59:07",""
"7159993","8.7317","0.0002","20.23","0.0005","21.9275","0.0005","90","","90","","90","","3873.32","0.16","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Co F6 N5 O6 S2 -","- C32 H33 Co F6 N5 O6 S2 -","- C128 H132 Co4 F24 N20 O24 S8 -","4","1","","Wen, Xiang; Ma, Yidong; Chen, Jie; Wang, Bin","A synthetically useful catalytic system for aliphatic C-H oxidation with a nonheme cobalt complex and <i>m</i>-CPBA.","Organic & biomolecular chemistry","2024","22","28","5729","5733","10.1039/d4ob00807c","","x-ray","0.71073","MoKα","","0.0643","0.0522","","","0.1022","0.1088","","","","","","1.052","","","","has coordinates","293928","2024-08-05","19:57:41",""
"7159994","17.157","0.004","13.818","0.003","17.35","0.003","90","","111.124","0.005","90","","3836.9","1.4","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H53 N O Si2 -","- C38 H53 N O Si2 -","- C152 H212 N4 O4 Si8 -","4","1","","Das, Sukanya; Datta, Tanmoy; Sk, Md Abbasuddin; Roy, Brindaban; Nandi, Raj K.","Isoxazole group directed Rh(III)-catalyzed alkynylation using TIPS-EBX.","Organic & biomolecular chemistry","2024","22","34","6922","6927","10.1039/d4ob00797b","","","0.71073","MoKα","","0.1276","0.0817","","","0.1752","0.2086","","","","","","1.06","","","","has coordinates","294641","2024-09-06","01:58:48",""
"7159995","10.3208","0.0006","12.3275","0.0007","16.0767","0.0012","90","","90","","90","","2045.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O2 -","- C26 H22 O2 -","- C104 H88 O8 -","4","1","","Maurya, Jay Prakash; Swain, Subham S.; Ramasastry, S. S. V.","Phosphine-promoted intramolecular Rauhut-Currier/Wittig reaction cascade to access (hetero)arene-fused diquinanes.","Organic & biomolecular chemistry","2024","22","28","5718","5723","10.1039/d4ob00984c","","x-ray","0.71073","MoKα","","0.0476","0.0398","","","0.0967","0.1057","","","","","","1.063","","","","has coordinates","293929","2024-08-05","19:58:00",""
"7159996","8.5179","0.0004","10.2457","0.0005","23.2567","0.001","90","","93.088","0.004","90","","2026.71","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Maurya, Jay Prakash; Swain, Subham S.; Ramasastry, S. S. V.","Phosphine-promoted intramolecular Rauhut-Currier/Wittig reaction cascade to access (hetero)arene-fused diquinanes.","Organic & biomolecular chemistry","2024","22","28","5718","5723","10.1039/d4ob00984c","","x-ray","0.71073","MoKα","","0.1014","0.062","","","0.1665","0.2108","","","","","","1.04","","","","has coordinates","293929","2024-08-05","19:58:00",""
"7159997","6.3202","0.0003","11.5648","0.0005","15.4255","0.0009","90","","90","","90","","1127.48","0.1","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","GS-7s-Li","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","","Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.","Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.","Organic & biomolecular chemistry","2024","22","28","5748","5758","10.1039/d4ob00934g","","","1.54186","CuKα","","0.0473","0.0387","","","0.0911","0.0958","","","","","","1.051","","","","has coordinates","293925","2024-08-05","19:57:05",""
"7159998","7.32486","0.00022","9.913","0.0003","14.0128","0.0006","90","","90","","90","","1017.49","0.06","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","SGS-3","","- C12 H18 O -","- C12 H18 O -","- C48 H72 O4 -","4","1","","Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.","Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.","Organic & biomolecular chemistry","2024","22","28","5748","5758","10.1039/d4ob00934g","","","1.54186","CuKα","","0.0311","0.0294","","","0.0739","0.0751","","","","","","1.048","","","","has coordinates","293925","2024-08-05","19:57:06",""
"7159999","7.3252","0.0003","9.8946","0.0003","14.0386","0.0004","90","","90","","90","","1017.52","0.06","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","GS-3","","- C12 H18 O -","- C12 H18 O -","- C48 H72 O4 -","4","1","","Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.","Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.","Organic & biomolecular chemistry","2024","22","28","5748","5758","10.1039/d4ob00934g","","","1.54186","CuKα","","0.0336","0.0317","","","0.0802","0.0815","","","","","","1.037","","","","has coordinates","293925","2024-08-05","19:57:06",""
"7160000","36.7093","0.001","26.4549","0.0009","6.8153","0.0002","90","","90","","90","","6618.6","0.3","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","SGS-4","","- C12 H20 O -","- C12 H20 O -","- C288 H480 O24 -","24","6","","Yin, Zhiyong; Maczka, Michael; Schnakenburg, Gregor; Schulz, Stefan; Dickschat, Jeroen S.","Enantioselective synthesis of all stereoisomers of geosmin and of biosynthetically related natural products.","Organic & biomolecular chemistry","2024","22","28","5748","5758","10.1039/d4ob00934g","","","1.54186","CuKα","","0.0972","0.0766","","","0.1929","0.2194","","","","","","1.027","","","","has coordinates","293925","2024-08-05","19:57:06",""
"7160005","6.0959","0.0003","14.8987","0.0006","19.713","0.0007","90","","90","","90","","1790.35","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br N4 O3 Se -","- C18 H13 Br N4 O3 Se -","- C72 H52 Br4 N16 O12 Se4 -","4","1","","Lalji, Ram Sunil Kumar; Monika, ?; Gupta, Mohit; Kumar, Sandeep; Butcher, Ray J.; Singh, Brajendra Kumar","Expedient, regioselective C-H chalcogenation of 3,4-dihydro-1,4-benzoxazines using a palladium-copper catalyst.","Organic & biomolecular chemistry","2024","22","28","5809","5815","10.1039/d4ob00524d","","","0.71073","MoKα","","0.08","0.071","","","0.1816","0.1869","","","","","","1.059","","","","has coordinates,has disorder","293926","2024-08-05","19:57:13",""
"7160006","7.2215","0.0002","10.8817","0.0003","16.0374","0.0006","106.334","0.003","92.084","0.003","95.137","0.002","1202.03","0.07","298","0.7","298","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 F6 N3 O5 S -","- C25 H15 F6 N3 O5 S -","- C50 H30 F12 N6 O10 S2 -","2","1","","Subramaniam, Subhashini V.; Singh, Badal; Pradeep, Natarajan; Peruncheralathan, Saravanan","PIFA-mediated intramolecular <i>N</i>-arylation of 2-aminoquinoxalines to afford indolo[2,3-<i>b</i>]quinoxaline derivatives.","Organic & biomolecular chemistry","2024","22","28","5803","5808","10.1039/d4ob00812j","","x-ray","1.54184","CuKα","","0.0667","0.061","","","0.1671","0.1848","","","","","","1.0094","","","","has coordinates","293924","2024-08-05","19:56:52",""
"7160007","7.9867","0.0002","18.9604","0.0005","11.541","0.0003","90","","98.527","0.002","90","","1728.35","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O2 S -","- C21 H15 N3 O2 S -","- C84 H60 N12 O8 S4 -","4","1","","Subramaniam, Subhashini V.; Singh, Badal; Pradeep, Natarajan; Peruncheralathan, Saravanan","PIFA-mediated intramolecular <i>N</i>-arylation of 2-aminoquinoxalines to afford indolo[2,3-<i>b</i>]quinoxaline derivatives.","Organic & biomolecular chemistry","2024","22","28","5803","5808","10.1039/d4ob00812j","","x-ray","0.71073","MoKα","","0.0438","0.0375","","","0.097","0.101","","","","","","1.037","","","","has coordinates","293924","2024-08-05","19:56:52",""
"7160008","10.445","0.003","19.168","0.006","9.55","0.003","90","","111.776","0.009","90","","1775.6","0.9","300","2","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cl2 N O2 -","- C21 H13 Cl2 N O2 -","- C84 H52 Cl8 N4 O8 -","4","1","","Mandal, Pratap Kumar; Patel, Sandeep; Katukojvala, Sreenivas","Enal-azomethine ylides: application in the synthesis of functionalized pyrroles.","Organic & biomolecular chemistry","2024","22","28","5734","5738","10.1039/d4ob00859f","","","0.71073","MoKα","","0.0885","0.0484","","","0.1475","0.1934","","","","","","1.21","","","","has coordinates","293930","2024-08-05","19:58:06",""
"7160015","14.756","0.007","13.906","0.007","15.357","0.008","90","","98.02","0.017","90","","3120","3","299","2","299","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl3 F3 N O3 S -","- C31 H25 Cl3 F3 N O3 S -","- C124 H100 Cl12 F12 N4 O12 S4 -","4","1","","Wang, Xuecheng; Zhao, Ziyue; Guo, Jiajie; Wang, Jijin; Zhao, Jincan","Synthesis of 3-sulfonylisoindolin-1-ones from olefinic amides and sodium sulfinates <i>via</i> electrooxidative tandem cyclization.","Organic & biomolecular chemistry","2024","22","29","5897","5901","10.1039/d4ob00980k","","","0.71073","MoKα","","0.1814","0.0949","","","0.2367","0.2895","","","","","","1.036","","","","has coordinates,has disorder","293918","2024-08-05","19:56:06",""
"7160016","15.8567","0.0006","9.2722","0.0004","9.8086","0.0004","90","","96.02","0.004","90","","1434.17","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'6-benzyl-2-methylpyrazolo[1,5-c]quinazolin-5(6H)-one'","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Yan, Jun; Retailleau, Pascal; Tran, Christine; Hamze, Abdallah","Leveraging <i>in situ N</i>-tosylhydrazones as diazo surrogates for efficient access to pyrazolo-[1,5-<i>c</i>]quinazolinone derivatives.","Organic & biomolecular chemistry","2024","22","28","5816","5821","10.1039/d4ob00950a","","x-ray","0.71073","MoKα","","0.0377","0.0242","","","0.0441","0.0474","","","","","","1.0994","","","","has coordinates","293927","2024-08-05","19:57:27",""
"7160017","11.6424","0.0005","21.0313","0.0008","19.3533","0.0015","90","","90.006","0.004","90","","4738.7","0.5","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","SF-28-II","","- C58 H60 O4 -","- C58 H60 O4 -","- C232 H240 O16 -","4","1","","Fatma, Shaheen; Ahmad, Feroz; Pankhade, Yogesh A.; Ranga, Pavit K.; Vijaya Anand, Ramasamy","A HMPA-H<sub>2</sub>O mediated oxygenative carbocyclization of 2-alkynylphenyl-substituted <i>p</i>-quinone methides to indenones.","Organic & biomolecular chemistry","2024","22","29","5891","5896","10.1039/d4ob00966e","","x-ray","0.71073","MoKα","","0.1724","0.0835","","","0.2014","0.2625","","","","","","1.103","","","","has coordinates","293923","2024-08-05","19:56:40",""
"7160018","14.1166","0.0001","13.1507","0.0001","14.1709","0.0001","90","","98.716","0.001","90","","2600.35","0.03","100","0.16","100","0.16","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 N2 S -","- C36 H26 N2 S -","- C144 H104 N8 S4 -","4","1","","Wang, Xue-Long; Yang, Yi; Jiang, Yan","In(OTf)<sub>3</sub>-catalyzed formal (4 + 3) cycloaddition reactions of 3-benzylideneindoline-2-thiones with 2-indolylmethanols.","Organic & biomolecular chemistry","2024","22","29","5902","5906","10.1039/d4ob00897a","","x-ray","1.54184","CuKα","","0.0413","0.0391","","","0.0999","0.1013","","","","","","1.038","","","","has coordinates","293920","2024-08-05","19:56:19",""
"7160019","11.088","0.0007","6.883","0.0004","18.081","0.0009","90","","90","","90","","1379.92","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H10 Cl2 N2 O2 -","- C15 H10 Cl2 N2 O2 -","- C60 H40 Cl8 N8 O8 -","4","0.5","","Ren, Shaobo; Zhu, Jian; Liu, Yunkui","Trifunctionalization of CC bonds in vinyl azides to access densely functionalized phenanthridines enabled by the NCS/AgNO<sub>2</sub> system.","Organic & biomolecular chemistry","2024","22","29","5982","5986","10.1039/d4ob00905c","","","0.71073","MoKα","","0.089","0.0535","","","0.1242","0.159","","","","","","1.001","","","","has coordinates","293919","2024-08-05","19:56:12",""
"7160020","9.2774","0.0003","11.2639","0.0004","12.0479","0.0004","90","","90","","90","","1259","0.07","169","2","169","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Xie, Jia-Qi; Wang, Bing-Xia; Liang, Ren-Xiao; Jia, Yi-Xia","Copper-catalyzed asymmetric 1,2-arylboration of enamines: access to chiral borate-containing 3,3'-disubstituted isoindolinones.","Organic & biomolecular chemistry","2024","22","30","6085","6089","10.1039/d4ob00896k","","","1.54178","CuKα","","0.0492","0.0491","","","0.1198","0.1199","","","","","","1.256","","","","has coordinates","293940","2024-08-05","20:00:33",""
"7160021","5.3567","0.0002","14.2027","0.0005","21.0025","0.0008","90","","90.995","0.004","90","","1597.62","0.1","99.98","0.1","99.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","z","","- C17 H18 Cl N2 O S -","- C17 H17 Cl N2 O S -","- C68 H68 Cl4 N8 O4 S4 -","4","1","","Hu, Meiqian; Yang, Xiaolin; Zhang, Shuai; Qin, Changsheng; Zhang, Zhihua; Wang, Jingfang; Ji, Fanghua; Jiang, Guangbin","Electrochemical oxidative thioetherification of aldehyde hydrazones with thiophenols.","Organic & biomolecular chemistry","2024","22","29","5907","5912","10.1039/d4ob00833b","","x-ray","0.71073","MoKα","","0.0492","0.0371","","","0.0885","0.0949","","","","","","1.067","","","","has coordinates","293921","2024-08-05","19:56:25",""
"7160022","18.137","0.014","9.16","0.007","9.37","0.008","90","","90","","90","","1557","2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Li, Meng-Yuan; Chen, Peng; Pan, Ming-Xia; Hu, Hao-Lan; Jiang, Yi-Jun","Palladium-catalyzed amidation of carbazole derivatives <i>via</i> hydroamination of isocyanates.","Organic & biomolecular chemistry","2024","22","30","6090","6094","10.1039/d4ob00771a","","","0.71073","MoKα","","0.0506","0.0455","","","0.1293","0.1335","","","","","","1.603","","","","has coordinates","293939","2024-08-05","20:00:22",""
"7160023","7.914","0.006","12.745","0.01","13.674","0.011","75.055","0.016","78.771","0.016","84.956","0.016","1306","1.8","296","2","296","","","","","","","","","5","P -1","-P 1","2","","SBS-02-096","","- C28 H35 N3 O4 S -","- C28 H35 N3 O4 S -","- C56 H70 N6 O8 S2 -","2","1","","Salunke, Swati Bansi; Save, Shreyada N.; Roy, Naveen J.; Naorem, Ronedy; Sharma, Shilpy; Talukdar, Pinaki","Bisindole-based small molecules as transmembrane anion transporters and potential anticancer agents.","Organic & biomolecular chemistry","2024","22","24","4987","4992","10.1039/d4ob00554f","","","0.71073","MoKα","","0.3878","0.1692","","","0.2231","0.307","","","","","","1.016","","","","has coordinates","292748","2024-07-05","01:35:39",""
"7160024","16.843","0.008","13.341","0.007","16.884","0.007","90","","116.018","0.017","90","","3409","3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O2 -","- C23 H18 O2 -","- C184 H144 O16 -","8","2","","Reddy, Chada Raji; Kolgave, Dattahari H.; Fatima, Sana; Ramesh, Remya","Carbonylative cyclization of biaryl enones with aldehydes and oxamic acids.","Organic & biomolecular chemistry","2024","22","24","4901","4911","10.1039/d4ob00513a","","","0.71073","MoKα","","0.1086","0.0599","","","0.1243","0.1517","","","","","","1.071","","","","has coordinates","292749","2024-07-05","01:36:08",""
"7160025","18.905","0.006","7.073","0.002","18.994","0.007","90","","90","","90","","2539.8","1.4","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","","Reddy, Chada Raji; Kolgave, Dattahari H.; Fatima, Sana; Ramesh, Remya","Carbonylative cyclization of biaryl enones with aldehydes and oxamic acids.","Organic & biomolecular chemistry","2024","22","24","4901","4911","10.1039/d4ob00513a","","","0.71073","MoKα","","0.0873","0.0471","","","0.1234","0.15","","","","","","1.04","","","","has coordinates","292749","2024-07-05","01:36:09",""
"7160026","9.361","0.0007","11.2049","0.0008","11.6661","0.0009","103.78","0.003","93.986","0.003","114.062","0.002","1065.83","0.14","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 Cl O4 -","- C25 H21 Cl O4 -","- C50 H42 Cl2 O8 -","2","1","","Mandal, Arnab; Singh, Satyajit; Arora, Arisha; Nambiar, Sujisha S.; Ghosh, Siddhartha S.; Khan, Abu Taleb","L-Proline-catalysed synthesis of chromeno[2,3-<i>b</i>]chromene from 4-hydroxy-2<i>H</i>-chromene-2-thione and an anti-proliferative study.","Organic & biomolecular chemistry","2024","22","26","5333","5345","10.1039/d4ob00509k","","","0.71073","MoKα","","0.0728","0.0573","","","0.159","0.1692","","","","","","1.0368","","","","has coordinates","292750","2024-07-05","01:37:40",""
"7160027","9.1059","0.0015","21.916","0.004","10.1282","0.0017","90","","105.051","0.005","90","","1951.9","0.6","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Mandal, Arnab; Singh, Satyajit; Arora, Arisha; Nambiar, Sujisha S.; Ghosh, Siddhartha S.; Khan, Abu Taleb","L-Proline-catalysed synthesis of chromeno[2,3-<i>b</i>]chromene from 4-hydroxy-2<i>H</i>-chromene-2-thione and an anti-proliferative study.","Organic & biomolecular chemistry","2024","22","26","5333","5345","10.1039/d4ob00509k","","","0.71073","MoKα","","0.1056","0.0896","","","0.2752","0.2848","","","","","","1.0494","","","","has coordinates","292750","2024-07-05","01:37:47",""
"7160028","5.7063","0.0004","7.9223","0.0004","32.7085","0.0016","90","","90","","90","","1478.65","0.15","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Liang, Yu-Jing; Gao, Yuan-Yuan; Han, Hua-Bo; Li, Lu; Liu, Lantao","Enantioselective synthesis of 4-aryl-3,4-dihydrocoumarins <i>via</i> N-heterocyclic carbene catalyzed β-arylation/cyclization of α-bromoenals.","Organic & biomolecular chemistry","2024","22","25","5101","5104","10.1039/d4ob00756e","","x-ray","0.71073","MoKα","","0.054","0.0406","","","0.0789","0.0825","","","","","","1.04","","","","has coordinates","292751","2024-07-05","01:38:35",""
"7160029","10.2643","0.0005","9.0256","0.0005","21.2231","0.0013","90","","94.116","0.002","90","","1961.07","0.19","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Br2 O2 -","- C23 H18 Br2 O2 -","- C92 H72 Br8 O8 -","4","1","","Hu, Teng; Zhao, Yuxuan; Luo, Xiaoyan; Li, Zhong; Yang, Wu-Lin","Brønsted acid catalyzed [4 + 2] cycloaddition for the synthesis of bisbenzannulated spiroketals with antifungal activities.","Organic & biomolecular chemistry","2024","22","23","4656","4661","10.1039/d4ob00584h","","","0.71073","MoKα","","0.0587","0.0345","","","0.0681","0.0772","","","","","","1.021","","","","has coordinates","292752","2024-07-05","01:40:36",""
"7160032","10.66903","0.00006","13.58537","0.00006","11.39283","0.00005","90","","102.886","0.0005","90","","1609.72","0.014","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H12 Cl N3 -","- C20 H12 Cl N3 -","- C80 H48 Cl4 N12 -","4","2","","Pospíšilová, Jana; Heger, Tomáš; Kurka, Ondřej; Kvasnicová, Marie; Chládková, Anna; Nemec, Ivan; Rárová, Lucie; Cankař, Petr","Atropisomeric 1-phenylbenzimidazoles affecting microtubule organization: influence of axial chirality.","Organic & biomolecular chemistry","2024","22","34","6966","6980","10.1039/d4ob00863d","","","1.54184","CuKα","","0.0243","0.0242","","","0.062","0.0621","","","","","","1.034","","","","has coordinates","294640","2024-09-06","01:58:41",""
"7160033","8.66885","0.00004","10.22838","0.00006","18.76755","0.0001","90","","90","","90","","1664.09","0.015","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 Cl I N2 -","- C19 H12 Cl I N2 -","- C76 H48 Cl4 I4 N8 -","4","1","","Pospíšilová, Jana; Heger, Tomáš; Kurka, Ondřej; Kvasnicová, Marie; Chládková, Anna; Nemec, Ivan; Rárová, Lucie; Cankař, Petr","Atropisomeric 1-phenylbenzimidazoles affecting microtubule organization: influence of axial chirality.","Organic & biomolecular chemistry","2024","22","34","6966","6980","10.1039/d4ob00863d","","","1.54184","CuKα","","0.0174","0.0174","","","0.046","0.046","","","","","","1.116","","","","has coordinates","294640","2024-09-06","01:58:41",""
"7160034","24.42","0.003","9.1758","0.0011","13.2477","0.0017","90","","96.449","0.004","90","","2949.7","0.6","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","1","","Prasanna, Ram; Banik, Swarnayu; Ajay, Chidrawar; Sridhar, B.; Mohapatra, Debendra K.; Subba Reddy, B. V.","Catalyst-free photoarylation of 2-aryl-2<i>H</i>-indazoles by carbon-iodine bond activation.","Organic & biomolecular chemistry","2024","22","30","6129","6134","10.1039/d4ob00820k","","","0.71073","MoKα","","0.1078","0.0511","","","0.1332","0.1778","","","","","","1.018","","","","has coordinates","293942","2024-08-05","20:00:48",""
"7160035","9.524","0.0008","17.8288","0.0015","10.8518","0.0009","90","","90.262","0.001","90","","1842.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O S2 -","- C24 H17 N O S2 -","- C96 H68 N4 O4 S8 -","4","1","","Lupi, Michela; Fabbri, Mosè; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Viglianisi, Caterina; Menichetti, Stefano","Organocatalytic hydrogen bond donor/Lewis base (HBD/LB) synthesis and chiroptical properties of thiabridged [5]helicenes.","Organic & biomolecular chemistry","2024","22","35","7154","7163","10.1039/d4ob00979g","","","1.54178","CuKα","","0.0602","0.054","","","0.1464","0.1513","","","","","","1.04","","","","has coordinates","295340","2024-10-06","09:18:24",""
"7160036","11.7341","0.0005","14.1653","0.0006","13.033","0.0005","90","","101.495","0.002","90","","2122.86","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 S2 -","- C26 H21 N O3 S2 -","- C104 H84 N4 O12 S8 -","4","1","","Lupi, Michela; Fabbri, Mosè; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Viglianisi, Caterina; Menichetti, Stefano","Organocatalytic hydrogen bond donor/Lewis base (HBD/LB) synthesis and chiroptical properties of thiabridged [5]helicenes.","Organic & biomolecular chemistry","2024","22","35","7154","7163","10.1039/d4ob00979g","","","1.54178","CuKα","","0.0426","0.0399","","","0.1062","0.1087","","","","","","1.028","","","","has coordinates","295340","2024-10-06","09:18:24",""
"7160037","10.1057","0.0006","14.2072","0.0008","16.1701","0.0009","75.486","0.002","74.112","0.002","83.093","0.002","2158.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 N2 O6 S4 -","- C52 H42 N2 O6 S4 -","- C104 H84 N4 O12 S8 -","2","1","","Lupi, Michela; Fabbri, Mosè; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Viglianisi, Caterina; Menichetti, Stefano","Organocatalytic hydrogen bond donor/Lewis base (HBD/LB) synthesis and chiroptical properties of thiabridged [5]helicenes.","Organic & biomolecular chemistry","2024","22","35","7154","7163","10.1039/d4ob00979g","","","1.54178","CuKα","","0.0598","0.058","","","0.1515","0.153","","","","","","1.04","","","","has coordinates","295340","2024-10-06","09:18:24",""
"7160038","21.3851","0.0007","5.2927","0.0001","18.3278","0.0006","90","","111.34","0.004","90","","1932.2","0.11","297.46","0.1","297.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","","Saha, Ratnakar; Hembram, Bhairab Chand; Panda, Surajit; Jana, Narayan Ch; Bagh, Bidraha","Iron- and base-catalyzed <i>C</i>(α)-alkylation and one-pot sequential alkylation-hydroxylation of oxindoles with secondary alcohols.","Organic & biomolecular chemistry","2024","22","31","6321","6330","10.1039/d4ob00957f","","","1.54184","CuKα","","0.0473","0.0403","","","0.1097","0.1157","","","","","","1.055","","","","has coordinates","294633","2024-09-06","01:57:00",""
"7160039","10.9223","0.0002","5.9756","0.0001","18.2274","0.0004","90","","103.405","0.002","90","","1157.24","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Saha, Ratnakar; Hembram, Bhairab Chand; Panda, Surajit; Jana, Narayan Ch; Bagh, Bidraha","Iron- and base-catalyzed <i>C</i>(α)-alkylation and one-pot sequential alkylation-hydroxylation of oxindoles with secondary alcohols.","Organic & biomolecular chemistry","2024","22","31","6321","6330","10.1039/d4ob00957f","","x-ray","1.54184","CuKα","","0.0386","0.0364","","","0.0998","0.1017","","","","","","1.068","","","","has coordinates","294633","2024-09-06","01:57:00",""
"7160040","7.2634","0.0002","24.2647","0.0007","14.6681","0.0004","90","","95.182","0.002","90","","2574.6","0.12","100.04","0.1","100.04","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C128 H120 N8 O16 -","4","1","","Saha, Ratnakar; Hembram, Bhairab Chand; Panda, Surajit; Jana, Narayan Ch; Bagh, Bidraha","Iron- and base-catalyzed <i>C</i>(α)-alkylation and one-pot sequential alkylation-hydroxylation of oxindoles with secondary alcohols.","Organic & biomolecular chemistry","2024","22","31","6321","6330","10.1039/d4ob00957f","","x-ray","1.54184","CuKα","","0.0485","0.0436","","","0.1102","0.1155","","","","","","1.074","","","","has coordinates","294633","2024-09-06","01:57:00",""
"7160041","9.6728","0.0003","10.3643","0.0003","11.0212","0.0002","104.386","0.003","112.313","0.003","90.028","0.003","984.56","0.05","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N S Sb -","- C24 H26 N S Sb -","- C48 H52 N2 S2 Sb2 -","2","1","","Wang, Zixiu; Huang, Yan; Deng, Dandan; Li, Shan; Yu, Yimei; Ye, Yifei; Chen, Yi; Lei, Jian","Facile synthesis and antifungal evaluation of hypervalent organoantimony(iii) and organobismuth(iii) thioates with tridentate C,N,C-coordinating ligands","Organic & Biomolecular Chemistry","2024","22","35","7164","7172","10.1039/D4OB00702F","","","","","","0.121","","","","","","","","","","","","","","","has coordinates,has disorder","295337","2024-10-06","09:17:50",""
"7160042","10.3272","0.0004","11.29","0.0004","12.587","0.0003","92.032","0.002","100.634","0.003","108.806","0.003","1358.24","0.08","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Bi Cl3 N S -","- C28 H25 Bi Cl3 N S -","- C56 H50 Bi2 Cl6 N2 S2 -","2","1","","Wang, Zixiu; Huang, Yan; Deng, Dandan; Li, Shan; Yu, Yimei; Ye, Yifei; Chen, Yi; Lei, Jian","Facile synthesis and antifungal evaluation of hypervalent organoantimony(iii) and organobismuth(iii) thioates with tridentate C,N,C-coordinating ligands","Organic & Biomolecular Chemistry","2024","22","35","7164","7172","10.1039/D4OB00702F","","","","","","0.052","","","","","","","","","","","","","","","has coordinates,has disorder","295337","2024-10-06","09:17:52",""
"7160043","7.806","0.0001","13.5247","0.0001","21.4223","0.0002","90","","96.214","0.001","90","","2248.35","0.04","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Bi Cl N S -","- C26 H21 Bi Cl N S -","- C104 H84 Bi4 Cl4 N4 S4 -","4","1","","Wang, Zixiu; Huang, Yan; Deng, Dandan; Li, Shan; Yu, Yimei; Ye, Yifei; Chen, Yi; Lei, Jian","Facile synthesis and antifungal evaluation of hypervalent organoantimony(iii) and organobismuth(iii) thioates with tridentate C,N,C-coordinating ligands","Organic & Biomolecular Chemistry","2024","22","35","7164","7172","10.1039/D4OB00702F","","x-ray","1.54184","CuKα","","0.028","0.0269","","","0.0683","0.0691","","","","","","1.094","","","","has coordinates","295337","2024-10-06","09:17:53",""
"7160044","8.6562","0.0006","11.0892","0.0006","13.6698","0.0009","71.649","0.002","79.384","0.003","83.229","0.002","1221.6","0.14","299","2","299","","","","","","","","","3","P -1","-P 1","2","","trans-cyclopropane","","- C30 H26 O6 -","- C30 H26 O6 -","- C60 H52 O12 -","2","1","","Deshwal, Shalu; Gopalakrishnan, Dinesh Kumar; Purohit, Alok; Karmakar, Tarak; Vaitla, Janakiram","Diastereoselective cyclopropanation of α,β-unsaturated carbonyl compounds with vinyl sulfoxonium ylides.","Organic & biomolecular chemistry","2024","22","31","6294","6307","10.1039/d4ob00677a","","","0.71073","MoKα","","0.0703","0.0482","","","0.1281","0.1551","","","","","","0.866","","","","has coordinates,has disorder","294630","2024-09-06","01:56:31",""
"7160045","18.8323","0.0008","10.3176","0.0004","10.7363","0.0004","90","","90","","90","","2086.11","0.14","297","2","297","","","","","","","","","3","P c a 21","P 2c -2ac","29","","cis-cyclopropane","","- C26 H22 O3 -","- C26 H22 O3 -","- C104 H88 O12 -","4","1","","Deshwal, Shalu; Gopalakrishnan, Dinesh Kumar; Purohit, Alok; Karmakar, Tarak; Vaitla, Janakiram","Diastereoselective cyclopropanation of α,β-unsaturated carbonyl compounds with vinyl sulfoxonium ylides.","Organic & biomolecular chemistry","2024","22","31","6294","6307","10.1039/d4ob00677a","","","0.71073","MoKα","","0.0668","0.0466","","","0.1011","0.1112","","","","","","1.056","","","","has coordinates","294630","2024-09-06","01:56:31",""
"7160046","12.9151","0.0017","15.309","0.002","14.3386","0.0018","90","","98.673","0.002","90","","2802.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3.87 H3.63 F0.13 N0.25 O0.75 S0.13 -","- C3.875 H3.625 F0.125 N0.25 O0.75 S0.125 -","- C124 H116 F4 N8 O24 S4 -","32","8","","Wang, Wei; Zheng, Lan; Liang, Wen-Jie; Fu, Xin-Yi; Zhang, Yu-Qing; Meng, Ru-Fang; Zhang, Huan; Lin, Chenxiang; Su, Wei; Xiao, Jun-An","Au(I)/Sc(III)-co-catalyzed tandem spiroannulation/cycloisomerization of 3-(2-ethynylaryl)-<i>N</i>-tosylaziridines with indoles to access 5<i>H</i>-benzo[<i>b</i>]carbazoles.","Organic & biomolecular chemistry","2024","22","29","5999","6003","10.1039/d4ob00782d","","","0.71073","MoKα","","0.1341","0.0609","","","0.1366","0.1768","","","","","","1.051","","","","has coordinates","293922","2024-08-05","19:56:32",""
"7160047","8.2463","0.001","10.1584","0.0013","12.501","0.0015","67.384","0.001","76.173","0.002","84.943","0.002","938.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O0 -","- C25 H18 N2 -","- C50 H36 N4 -","2","1","","Wang, Wei; Zheng, Lan; Liang, Wen-Jie; Fu, Xin-Yi; Zhang, Yu-Qing; Meng, Ru-Fang; Zhang, Huan; Lin, Chenxiang; Su, Wei; Xiao, Jun-An","Au(I)/Sc(III)-co-catalyzed tandem spiroannulation/cycloisomerization of 3-(2-ethynylaryl)-<i>N</i>-tosylaziridines with indoles to access 5<i>H</i>-benzo[<i>b</i>]carbazoles.","Organic & biomolecular chemistry","2024","22","29","5999","6003","10.1039/d4ob00782d","","","0.71073","MoKα","","0.0703","0.0462","","","0.1231","0.1364","","","","","","1.005","","","","has coordinates","293922","2024-08-05","19:56:33",""
"7160048","9.4792","0.0014","13.0255","0.0019","15.078","0.002","66.132","0.002","81.509","0.003","69.931","0.003","1599","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O7 S -","- C32 H32 N2 O7 S -","- C64 H64 N4 O14 S2 -","2","1","","Wang, Wei; Zheng, Lan; Liang, Wen-Jie; Fu, Xin-Yi; Zhang, Yu-Qing; Meng, Ru-Fang; Zhang, Huan; Lin, Chenxiang; Su, Wei; Xiao, Jun-An","Au(I)/Sc(III)-co-catalyzed tandem spiroannulation/cycloisomerization of 3-(2-ethynylaryl)-<i>N</i>-tosylaziridines with indoles to access 5<i>H</i>-benzo[<i>b</i>]carbazoles.","Organic & biomolecular chemistry","2024","22","29","5999","6003","10.1039/d4ob00782d","","","0.71073","MoKα","","0.1044","0.0692","","","0.2005","0.2199","","","","","","1.094","","","","has coordinates","293922","2024-08-05","19:56:33",""
"7160049","9.4686","0.0003","9.5459","0.0004","14.1712","0.0005","90.7407","0.0019","94.8288","0.0017","107.163","0.0016","1218.54","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N4 O2 -","- C32 H24 N4 O2 -","- C64 H48 N8 O4 -","2","1","","Brown, Emily B.; Gapare, Rosinah Liandrah; Campbell, Jacob W.; Alkaş, Adil; Sequeira, Steve; Hilborn, James W.; Greening, Sarah M.; Robertson, Katherine N.; Thompson, Alison","A mild synthetic route to α-nitroso diaryl pyrroles.","Organic & biomolecular chemistry","2024","22","30","6122","6128","10.1039/d4ob00935e","","","1.54178","CuKα","","0.0937","0.0681","","","0.125","0.146","","","","","","1.206","","","","has coordinates","293941","2024-08-05","20:00:40",""
"7160050","10.8638","0.0005","12.168","0.0006","16.7951","0.0008","73.7257","0.0017","84.4334","0.0017","82.2936","0.0017","2107.82","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 N6 O10 -","- C44 H50 N6 O10 -","- C88 H100 N12 O20 -","2","1","","Brown, Emily B.; Gapare, Rosinah Liandrah; Campbell, Jacob W.; Alkaş, Adil; Sequeira, Steve; Hilborn, James W.; Greening, Sarah M.; Robertson, Katherine N.; Thompson, Alison","A mild synthetic route to α-nitroso diaryl pyrroles.","Organic & biomolecular chemistry","2024","22","30","6122","6128","10.1039/d4ob00935e","","","0.71073","MoKα","","0.0931","0.0644","","","0.1613","0.2034","","","","","","1.122","","","","has coordinates,has disorder","293941","2024-08-05","20:00:42",""
"7160051","9.79364","0.00019","10.5919","0.0002","14.5081","0.0003","90","","95.211","0.007","90","","1498.75","0.05","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H37 O P -","- C38 H37 O P -","- C76 H74 O2 P2 -","2","1","","Kitagaki, Shinji; Nakayoshi, Tomoki; Masunaka, Sota; Uchida, Akane; Inano, Mai; Yoshida, Emika; Washino, Yusuke; Aoyama, Hiroshi; Yoshida, Keisuke","Highly regio- and stereoselective (3 + 2) annulation reaction of allenoates with 3-methyleneindolin-2-ones catalyzed by a planar chiral [2.2]paracyclophane-based bifunctional phosphine-phenol catalyst.","Organic & biomolecular chemistry","2024","22","38","7817","7833","10.1039/d4ob00831f","","","1.54187","CuKα","","0.0471","0.046","","","0.1154","0.116","","","","","","1.104","","","","has coordinates","295344","2024-10-06","09:19:04",""
"7160052","9.2471","0.0002","10.8522","0.0003","11.3167","0.0003","64.284","0.005","80.943","0.006","65.621","0.005","931.61","0.07","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Kitagaki, Shinji; Nakayoshi, Tomoki; Masunaka, Sota; Uchida, Akane; Inano, Mai; Yoshida, Emika; Washino, Yusuke; Aoyama, Hiroshi; Yoshida, Keisuke","Highly regio- and stereoselective (3 + 2) annulation reaction of allenoates with 3-methyleneindolin-2-ones catalyzed by a planar chiral [2.2]paracyclophane-based bifunctional phosphine-phenol catalyst.","Organic & biomolecular chemistry","2024","22","38","7817","7833","10.1039/d4ob00831f","","","1.54187","CuKα","","0.0546","0.0514","","","0.1355","0.1382","","","","","","1.041","","","","has coordinates","295344","2024-10-06","09:19:07",""
"7160053","13.0103","0.0008","17.384","0.0011","17.8554","0.0011","88.347","0.006","69.418","0.005","88.399","0.006","3778.3","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C184 H168 N8 O32 -","8","4","","Kitagaki, Shinji; Nakayoshi, Tomoki; Masunaka, Sota; Uchida, Akane; Inano, Mai; Yoshida, Emika; Washino, Yusuke; Aoyama, Hiroshi; Yoshida, Keisuke","Highly regio- and stereoselective (3 + 2) annulation reaction of allenoates with 3-methyleneindolin-2-ones catalyzed by a planar chiral [2.2]paracyclophane-based bifunctional phosphine-phenol catalyst.","Organic & biomolecular chemistry","2024","22","38","7817","7833","10.1039/d4ob00831f","","","1.54187","CuKα","","0.1409","0.1191","","","0.3659","0.3774","","","","","","1.075","","","","has coordinates,has disorder","295344","2024-10-06","09:19:17",""
"7160054","8.4579","0.0001","11.1076","0.0002","11.4172","0.0002","86.767","0.001","79.589","0.001","76.363","0.001","1025.11","0.03","295.77","0.03","295.77","0.03","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O3 S -","- C23 H21 N3 O3 S -","- C46 H42 N6 O6 S2 -","2","1","","Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan","Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.","Organic & biomolecular chemistry","2024","22","31","6288","6293","10.1039/d4ob00879k","","x-ray","1.54184","CuKα","","0.0612","0.0557","","","0.1624","0.1736","","","","","","1.0332","","","","has coordinates,has disorder","294629","2024-09-06","01:56:23",""
"7160055","13.6412","0.0004","10.7301","0.0002","16.2702","0.0004","90","","101.061","0.003","90","","2337.25","0.1","259","8","259","8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N3 O4 S -","- C25 H23 N3 O4 S -","- C100 H92 N12 O16 S4 -","4","1","","Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan","Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.","Organic & biomolecular chemistry","2024","22","31","6288","6293","10.1039/d4ob00879k","","","1.54184","CuKα","","0.0434","0.0408","","","0.1191","0.1217","","","","","","1.052","","","","has coordinates","294629","2024-09-06","01:56:23",""
"7160056","12.3207","0.0004","5.5406","0.0002","22.9882","0.0008","90","","105.284","0.004","90","","1513.76","0.09","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan","Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.","Organic & biomolecular chemistry","2024","22","31","6288","6293","10.1039/d4ob00879k","","x-ray","0.71073","MoKα","","0.0411","0.0359","","","0.0922","0.0957","","","","","","1.0367","","","","has coordinates","294629","2024-09-06","01:56:24",""
"7160057","9.4999","0.0001","13.2071","0.0003","17.4714","0.0003","96.635","0.001","100.372","0.001","91.122","0.001","2139.98","0.07","297.9","0.2","297.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 N6 O4 S2 -","- C48 H44 N6 O4 S2 -","- C96 H88 N12 O8 S4 -","2","1","","Natarajan, Pradeep; Chatterjee, Arpita; J, Siddharth Jaya Sajeevan; Peruncheralathan, Saravanan","Unexpected dearomatization of <i>N</i>-protected 5-aminopyrazoles at ambient temperature: a simple route to highly functionalized pyrazolines.","Organic & biomolecular chemistry","2024","22","31","6288","6293","10.1039/d4ob00879k","","x-ray","1.54184","CuKα","","0.0439","0.0417","","","0.1169","0.1187","","","","","","1.0372","","","","has coordinates,has disorder","294629","2024-09-06","01:56:24",""
"7160058","15.9994","0.0008","11.023","0.0006","19.3105","0.0009","90","","90","","90","","3405.6","0.3","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N O -","- C22 H18 F N O -","- C176 H144 F8 N8 O8 -","8","1","","Hao, Erxiao; Kong, Xiaomei; Xu, Tongyu; Zeng, Fanlong","Synthesis of indolines <i>via</i> palladium-catalyzed [4 + 1] annulation of (2-aminophenyl)methanols with sulfoxonium ylides.","Organic & biomolecular chemistry","2024","22","31","6342","6351","10.1039/d4ob00983e","","","1.34139","GaKα","","0.0441","0.0394","","","0.0968","0.1004","","","","","","1.072","","","","has coordinates","294635","2024-09-06","01:57:14",""
"7160059","10.207","0.0007","12.3855","0.0008","13.552","0.0007","90","","90","","90","","1713.23","0.18","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br N4 O2 -","- C18 H17 Br N4 O2 -","- C72 H68 Br4 N16 O8 -","4","1","","Hajra, Arun Kumar; Ghosh, Prasanjit; Roy, Chandrayee; Kundu, Mrinalkanti; Ghosh, Shibaji; Das, Sajal","Copper(II)-catalyzed, site-selective C(sp)<sup>2</sup>-H amination using 8-aminoimidazo[1,2-<i>a</i>]pyridine (8-AIP) as a directing group.","Organic & biomolecular chemistry","2024","22","32","6617","6630","10.1039/d4ob01008f","","","0.71073","MoKα","","0.1066","0.0363","","","0.0777","0.0994","","","","","","1.064","","","","has coordinates","294620","2024-09-06","01:54:06",""
"7160060","14.2283","0.0006","14.9598","0.0006","20.4993","0.0008","90","","94.199","0.001","90","","4351.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 N3 O6 S3 -","- C45 H45 N3 O6 S3 -","- C180 H180 N12 O24 S12 -","4","1","","Gong, Yingbin; Yan, Leilei; Guo, Zhiqiang","Na<sub>2</sub>CO<sub>3</sub>-promoted synthesis of thiocarbamates from isocyanates and thiols under mild conditions.","Organic & biomolecular chemistry","2024","22","31","6277","6281","10.1039/d4ob01068j","","","0.71073","MoKα","","0.0854","0.0551","","","0.1306","0.1527","","","","","","1.017","","","","has coordinates","294636","2024-09-06","01:57:21",""
"7160061","13.3641","0.0008","11.7805","0.0007","8.6325","0.0005","90","","107.97","0.002","90","","1292.77","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Gong, Yingbin; Yan, Leilei; Guo, Zhiqiang","Na<sub>2</sub>CO<sub>3</sub>-promoted synthesis of thiocarbamates from isocyanates and thiols under mild conditions.","Organic & biomolecular chemistry","2024","22","31","6277","6281","10.1039/d4ob01068j","","","0.71073","MoKα","","0.0455","0.0381","","","0.1099","0.1149","","","","","","1.05","","","","has coordinates","294636","2024-09-06","01:57:22",""
"7160062","21.6934","0.0012","9.8813","0.0012","10.474","0.003","90","","101.399","0.006","90","","2200.9","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","1","","Raji Reddy, Chada; Edhara, Venkatareddy; Kumari, Ankita; Patil, Amol D.; Thandavamurthy, Karthikeyan","Entry to 4,5-fused coumarin frameworks <i>via</i> radical-promoted alkylative intramolecular C5-annulation.","Organic & biomolecular chemistry","2024","22","31","6385","6392","10.1039/d4ob00942h","","","0.71073","MoKα","","0.1669","0.0632","","","0.1164","0.1473","","","","","","0.994","","","","has coordinates","294631","2024-09-06","01:56:37",""
"7160063","6.1461","0.0006","19.503","0.003","19.67","0.002","90","","90","","90","","2357.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C124 H96 N8 O4 -","4","1","","Nayak, Kalinga H.; Jijin, Robert K.; Sreelekha, Mariswamy K.; Babu, Beneesh P.","Copper-catalyzed aerobic annulation of hydrazones with dienones: an efficient route to pyrazole-linked hybrid molecules.","Organic & biomolecular chemistry","2024","22","32","6631","6637","10.1039/d4ob00825a","","","0.71073","MoKα","","0.1232","0.0539","","","0.1713","0.2488","","","","","","0.794","","","","has coordinates","294622","2024-09-06","01:54:19",""
"7160064","33.45","0.02","33.45","0.02","5.541","0.004","90","","90","","120","","5369","6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C216 H198 N18 O72 -","18","1","","Sarmah, Debasish; Choudhury, Anup; Bora, Utpal","Palladium nanoparticle catalyzed synthesis of indoles <i>via</i> intramolecular Heck cyclisation.","Organic & biomolecular chemistry","2024","22","31","6419","6431","10.1039/d4ob01177e","","","0.71073","MoKα","","0.126","0.0781","","","0.2172","0.2473","","","","","","1.071","","","","has coordinates","294634","2024-09-06","01:57:08",""
"7160065","10.67","0.009","10.941","0.01","28.681","0.019","89.79","0.03","89.93","0.03","89.86","0.03","3348","5","299","","299","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl N2 O4 -","- C19 H13 Cl N2 O4 -","- C152 H104 Cl8 N16 O32 -","8","4","","Liu, Huaqing; Yan, Qinqin; Zeng, Yanzhao; Hou, Xinyi; Wang, Ying; Li, Lijun; Li, Zejiang","Metal-free nitro/azido cyclization of 1-acryloyl-2-cyanoindoles to access NO<sub>2</sub>/N<sub>3</sub>-featuring pyrrolo[1,2-<i>a</i>] indolediones.","Organic & biomolecular chemistry","2024","22","32","6490","6494","10.1039/d4ob01001a","","","0.71073","MoKα","","0.1044","0.0556","","","0.1088","0.137","","","","","","1.1272","","","","has coordinates","294618","2024-09-06","01:53:52",""
"7160066","10.4371","0.0006","9.9381","0.0004","15.5195","0.0008","90","","104.104","0.004","90","","1561.23","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F N2 O5 -","- C15 H17 F N2 O5 -","- C60 H68 F4 N8 O20 -","4","2","","Esteban, Alberto; Ortega, Pablo; Sanz, Francisca; Jambrina, Pablo G.; Díez, David","Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds.","Organic & biomolecular chemistry","2024","22","32","6582","6592","10.1039/d4ob01014k","","","1.54178","CuKα","","0.0539","0.0397","","","0.0915","0.101","","","","","","1.046","","","","has coordinates","294621","2024-09-06","01:54:13",""
"7160067","6.3774","0.0003","8.9628","0.0005","13.9221","0.0007","90","","99.748","0.004","90","","784.29","0.07","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F N2 O5 -","- C15 H17 F N2 O5 -","- C30 H34 F2 N4 O10 -","2","1","","Esteban, Alberto; Ortega, Pablo; Sanz, Francisca; Jambrina, Pablo G.; Díez, David","Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds.","Organic & biomolecular chemistry","2024","22","32","6582","6592","10.1039/d4ob01014k","","","1.54178","CuKα","","0.0365","0.0316","","","0.0701","0.0728","","","","","","1.045","","","","has coordinates","294621","2024-09-06","01:54:13",""
"7160068","14.0244","0.0008","15.2683","0.0009","19.1822","0.0011","90","","105.697","0.002","90","","3954.3","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Cl3 N5 Zn -","- C17 H12 Cl3 N5 Zn -","- C136 H96 Cl24 N40 Zn8 -","8","1","","Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar","Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","31","6393","6408","10.1039/d4ob00988f","","","0.71073","MoKα","","0.0521","0.0425","","","0.0986","0.1045","","","","","","1.108","","","","has coordinates","294632","2024-09-06","01:56:48",""
"7160069","9.189","0.0014","5.6168","0.0009","24.833","0.004","90","","90.297","0.006","90","","1281.7","0.4","183.49","","183.49","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2.46 H2.46 O0.31 -","- C2.46154 H2.46154 O0.307692 -","- C64 H64 O8 -","26","6.5","","Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar","Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","31","6393","6408","10.1039/d4ob00988f","","","0.71073","MoKα","","0.071","0.0543","","","0.1323","0.1479","","","","","","1.034","","","","has coordinates","294632","2024-09-06","01:56:48",""
"7160070","7.6371","0.0005","12.4931","0.0008","13.437","0.0008","90","","90","","90","","1282.04","0.14","273.15","","273.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H12 Cl N -","- C16 H12 Cl N -","- C64 H48 Cl4 N4 -","4","1","","Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar","Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","31","6393","6408","10.1039/d4ob00988f","","","0.71073","MoKα","","0.0578","0.0496","","","0.0976","0.1013","","","","","","1.21","","","","has coordinates","294632","2024-09-06","01:56:48",""
"7160071","13.2739","0.0004","13.0215","0.0004","41.0373","0.0012","90","","90","","90","","7093.1","0.4","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Crystal","","- C34 H26 Cl4 N10 Zn2 -","- C34 H26 Cl4 N10 Zn2 -","- C272 H208 Cl32 N80 Zn16 -","8","1","","Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar","Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.","Organic & biomolecular chemistry","2024","22","31","6393","6408","10.1039/d4ob00988f","","","0.71073","MoKα","","0.0423","0.0368","","","0.0827","0.0858","","","","","","1.191","","","","has coordinates","294632","2024-09-06","01:56:48",""
"7160072","16.5721","0.0019","8.3586","0.0008","17.0294","0.0019","90","","92.605","0.004","90","","2356.5","0.4","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C23 H18 I2 O2 -","- C23 H18 I2 O2 -","- C92 H72 I8 O8 -","4","1","","Zhao, Jun-Bo; Yang, Jing-Kui","Synthesis of fused-pyran derivatives <i>via</i> a base-mediated annulation of bis-allenoates followed by auto-oxidation in air.","Organic & biomolecular chemistry","2024","22","32","6543","6549","10.1039/d4ob00835a","","","0.71073","MoKα","","0.0712","0.0524","","","0.1512","0.1651","","","","","","1.068","","","","has coordinates","294619","2024-09-06","01:53:59",""
"7160073","9.6264","0.0017","10.7417","0.0018","11.025","0.002","97.196","0.006","113.78","0.006","92.477","0.006","1029.5","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 F3 O4 -","- C25 H19 F3 O4 -","- C50 H38 F6 O8 -","2","1","","Zhao, Jun-Bo; Yang, Jing-Kui","Synthesis of fused-pyran derivatives <i>via</i> a base-mediated annulation of bis-allenoates followed by auto-oxidation in air.","Organic & biomolecular chemistry","2024","22","32","6543","6549","10.1039/d4ob00835a","","","0.71073","MoKα","","0.1031","0.0815","","","0.2446","0.2684","","","","","","1.07","","","","has coordinates,has disorder","294619","2024-09-06","01:54:00",""
"7160074","17.5169","0.0008","5.7876","0.0003","22.1074","0.0011","90","","102.879","0.002","90","","2184.88","0.19","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(4-fluorophenyl)quinolin-2(1H)-one","","- C15 H10 F N O -","- C15 H10 F N O -","- C120 H80 F8 N8 O8 -","8","1","","Bettoni, Léo; Joly, Nicolas; Mendas, Inès; Moscogiuri, Matteo Maria; Lohier, Jean-François; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc","Iron-catalyzed synthesis of substituted 3-arylquinolin-2(1<i>H</i>)-ones <i>via</i> an intramolecular dehydrogenative coupling of amido-alcohols.","Organic & biomolecular chemistry","2024","22","34","6933","6940","10.1039/d4ob00649f","","","0.71073","MoKα","","0.0511","0.043","","","0.1106","0.1163","","","","","","1.033","","","","has coordinates","294638","2024-09-06","01:58:28",""
"7160075","17.8048","0.0014","5.7547","0.0005","21.5754","0.0016","90","","105.736","0.003","90","","2127.8","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-phenylquinolin-2(1H)-one","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Bettoni, Léo; Joly, Nicolas; Mendas, Inès; Moscogiuri, Matteo Maria; Lohier, Jean-François; Gaillard, Sylvain; Poater, Albert; Renaud, Jean-Luc","Iron-catalyzed synthesis of substituted 3-arylquinolin-2(1<i>H</i>)-ones <i>via</i> an intramolecular dehydrogenative coupling of amido-alcohols.","Organic & biomolecular chemistry","2024","22","34","6933","6940","10.1039/d4ob00649f","","","0.71073","MoKα","","0.0929","0.054","","","0.14","0.1635","","","","","","1.031","","","","has coordinates","294638","2024-09-06","01:58:29",""
"7160076","13.368","0.0014","4.2874","0.0005","19.184","0.002","90","","110.238","0.013","90","","1031.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","x-ray","0.71073","MoKα","","0.1037","0.0701","","","0.1816","0.2031","","","","","","1.008","","","","has coordinates","294624","2024-09-06","01:54:45",""
"7160077","13.8803","0.001","13.7121","0.0009","8.213","0.0005","90","","104.208","0.007","90","","1515.35","0.18","248","50","248","50","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","x-ray","0.71073","MoKα","","0.0697","0.0433","","","0.1122","0.1252","","","","","","1.045","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160078","12.9666","0.0011","13.3233","0.001","8.2903","0.0006","90","","102.069","0.008","90","","1400.56","0.19","292","3","292","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 N2 O7 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","","0.71073","MoKα","","0.0563","0.0417","","","0.1687","0.1942","","","","","","0.791","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160079","8.1779","0.0009","9.0116","0.0006","10.0761","0.0008","113.57","0.007","95.895","0.008","112.019","0.009","602.44","0.12","205","6","205.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2.18 H2.18 N0.36 O0.91 -","- C2.18182 H2.18182 N0.363636 O0.909091 -","- C24 H24 N4 O10 -","11","5.5","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","","0.71073","MoKα","","0.0764","0.0499","","","0.1214","0.1371","","","","","","1.033","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160080","7.0174","0.0002","19.6228","0.0004","19.9031","0.0005","90","","90","","90","","2740.68","0.12","193","14","193","14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N4 O10 -","- C26 H28 N4 O10 -","- C104 H112 N16 O40 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","x-ray","1.54184","CuKα","","0.0497","0.0434","","","0.1179","0.123","","","","","","1.04","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160081","13.4678","0.0009","5.0155","0.0003","17.0923","0.001","90","","111.3","0.007","90","","1075.68","0.13","270","3","270","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N O3 Pd0.5 -","- C11 H12 N O3 Pd0.5 -","- C44 H48 N4 O12 Pd2 -","4","1","","Jena, Chinmay K.; Sharma, Nagendra K.","Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.","Organic & biomolecular chemistry","2024","22","33","6822","6832","10.1039/d4ob00800f","","x-ray","1.54184","CuKα","","0.0915","0.0756","","","0.2096","0.2286","","","","","","1.084","","","","has coordinates","294624","2024-09-06","01:54:46",""
"7160082","9.4997","0.0008","9.6206","0.0009","27.309","0.003","90","","90","","90","","2495.8","0.4","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O5 -","- C28 H27 N3 O5 -","- C112 H108 N12 O20 -","4","1","","Ahemad, Mohammed Ansar; Nayak, Sabita; Prusty, Kamalika; Panigrahi, Gopinatha; Mohapatra, Suhasini; Mohapatra, Seetaram","Design and synthesis of 1,2-dihydroquinoline/chromene fused sugar triazole frameworks by copper-catalyzed one-pot click and intramolecular arylation reactions.","Organic & biomolecular chemistry","2024","22","33","6748","6762","10.1039/d4ob00711e","","","0.71073","MoKα","","0.0561","0.0414","","","0.0947","0.1025","","","","","","1.047","","","","has coordinates","294627","2024-09-06","01:55:07",""
"7160083","10.83365","0.00016","14.19083","0.00019","11.90925","0.00015","90","","97.2955","0.0013","90","","1816.09","0.04","103","6","103","6","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Chiu, Wei-Jung; Chu, Ting-Yen; Sun, Chung-Ming","Combinatorial synthesis of substituted pyrazolo-fused quinazolines by the Rh(III)-catalyzed [5 + 1] annulation of phenyl-1<i>H</i>-pyrazol-5-amine with alkynoates and alkynamides.","Organic & biomolecular chemistry","2024","22","33","6841","6846","10.1039/d4ob00516c","","x-ray","1.54184","CuKα","","0.0265","0.0259","","","0.0686","0.069","","","","","","1.046","","","","has coordinates","294628","2024-09-06","01:55:13",""
"7160084","8.111","0.003","11.691","0.004","20.374","0.007","90","","90","","90","","1932","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N2 O6 S4 -","- C40 H42 N2 O6 S4 -","- C80 H84 N4 O12 S8 -","2","1","","Wang, Yunxiao; Xu, Ze-Feng; Chen, Jing; Yu, Mingming; Guo, Sheng-Rong; Li, Chuan-Ying","Rhodium-catalyzed intramolecular cyclization for synthesizing thiodihydropyrans.","Organic & biomolecular chemistry","2024","22","33","6695","6698","10.1039/d4ob01150c","","","0.71073","MoKα","","0.0998","0.0542","","","0.0931","0.1027","","","","","","0.919","","","","has coordinates","294626","2024-09-06","01:55:01",""
"7160085","10.1467","0.0005","10.3698","0.0005","11.2435","0.0005","75.044","0.002","76.595","0.002","76.84","0.002","1093.94","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Br F2 N O2 -","- C25 H20 Br F2 N O2 -","- C50 H40 Br2 F4 N2 O4 -","2","1","","Huang, Tianjiao; Yin, Huiping; Li, Tuanjie; Yu, Chenxia; Zhang, Kai; Yao, Changsheng","NHC catalyzed radical tandem cyclization: an efficient synthesis of α,α-difluoro-γ-lactam derivatives.","Organic & biomolecular chemistry","2024","22","34","6988","6998","10.1039/d4ob01012d","","","0.71073","MoKα","","0.1403","0.082","","","0.1896","0.2325","","","","","","1.023","","","","has coordinates","294637","2024-09-06","01:58:21",""
"7160086","8.799","0.0013","25.874","0.004","10.0568","0.0014","90","","103.338","0.008","90","","2227.8","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br F2 N O2 -","- C25 H20 Br F2 N O2 -","- C100 H80 Br4 F8 N4 O8 -","4","1","","Huang, Tianjiao; Yin, Huiping; Li, Tuanjie; Yu, Chenxia; Zhang, Kai; Yao, Changsheng","NHC catalyzed radical tandem cyclization: an efficient synthesis of α,α-difluoro-γ-lactam derivatives.","Organic & biomolecular chemistry","2024","22","34","6988","6998","10.1039/d4ob01012d","","","0.71073","MoKα","","0.0962","0.0632","","","0.1616","0.1815","","","","","","1.098","","","","has coordinates","294637","2024-09-06","01:58:21",""
"7160087","16.79","0.002","9.1114","0.0012","10.3491","0.0013","90","","104.207","0.005","90","","1534.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Chauhan, Amar Nath Singh; Vini, Vikrant; Kumar, Akhilesh; Erande, Rohan D.","Synthesis of indol-3-yl-benzofurans and carbazoles <i>via</i> Cu(OTf)<sub>2</sub>-catalyzed [3 + 2] and [4 + 2] cycloaddition.","Organic & biomolecular chemistry","2024","22","33","6690","6694","10.1039/d4ob00861h","","","0.71073","MoKα","","0.0693","0.0453","","","0.0974","0.1111","","","","","","1.057","","","","has coordinates","294625","2024-09-06","01:54:54",""
"7160088","14.203","0.003","12.372","0.003","25.592","0.005","90","","104.499","0.006","90","","4353.8","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22.5 N2 O4 -","- C26 H22.5 N2 O4 -","- C208 H180 N16 O32 -","8","2","","Chauhan, Amar Nath Singh; Vini, Vikrant; Kumar, Akhilesh; Erande, Rohan D.","Synthesis of indol-3-yl-benzofurans and carbazoles <i>via</i> Cu(OTf)<sub>2</sub>-catalyzed [3 + 2] and [4 + 2] cycloaddition.","Organic & biomolecular chemistry","2024","22","33","6690","6694","10.1039/d4ob00861h","","","0.71073","MoKα","","0.2916","0.1811","","","0.449","0.5306","","","","","","1.59","","","","has coordinates","294625","2024-09-06","01:54:55",""
"7160089","10.0201","0.001","13.7449","0.0013","13.8357","0.0013","114.915","0.006","92.11","0.005","92.923","0.005","1722.4","0.3","250","2","250","2","","","","","","","no","3","P -1","-P 1","2","2a","tricycloalkane","","- C64 H132 Si4 -","- C64 H132 Si4 -","- C64 H132 Si4 -","1","0.5","","Tu, Yuyang; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Ring-closing metathesis of dialkenylcycloalkanes for the synthesis of fused bicycloalkanes and tricycloalkanes.","Organic & biomolecular chemistry","2024","22","34","6950","6954","10.1039/d4ob01143k","","","1.54178","CuKα","","0.1002","0.0731","","","0.1837","0.2109","","","","","","1.041","","","","has coordinates","294642","2024-09-06","01:58:59",""
"7160090","5.8392","0.0002","10.0661","0.0003","11.6107","0.0004","88.902","0.001","75.577","0.001","78.905","0.001","648.29","0.04","300","2","300","2","","","","","","","","4","P -1","-P 1","2","trans-3","trans-difluorodimethyldisilacyclodocosane","","- C22 H46 F2 Si2 -","- C22 H46 F2 Si2 -","- C22 H46 F2 Si2 -","1","0.5","","Tu, Yuyang; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Ring-closing metathesis of dialkenylcycloalkanes for the synthesis of fused bicycloalkanes and tricycloalkanes.","Organic & biomolecular chemistry","2024","22","34","6950","6954","10.1039/d4ob01143k","","","1.54178","CuKα","","0.0433","0.0429","","","0.1275","0.1279","","","","","","1.075","","","","has coordinates","294642","2024-09-06","01:59:00",""
"7160091","14.9494","0.0004","8.4932","0.0002","66.5433","0.0018","90","","90","","90","","8448.9","0.4","200","2","200","2","","","","","","","no","3","P b c a","-P 2ac 2ab","61","2b","tricycloalkane","","- C80 H164 Si4 -","- C80 H164 Si4 -","- C320 H656 Si16 -","4","0.5","","Tu, Yuyang; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Ring-closing metathesis of dialkenylcycloalkanes for the synthesis of fused bicycloalkanes and tricycloalkanes.","Organic & biomolecular chemistry","2024","22","34","6950","6954","10.1039/d4ob01143k","","","1.54178","CuKα","","0.0938","0.0672","","","0.1598","0.1759","","","","","","1.049","","","","has coordinates","294642","2024-09-06","01:59:00",""
"7160092","8.3863","0.0019","18.506","0.003","12.78","0.002","90","","108.742","0.007","90","","1878.2","0.6","149","","149","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O4 S -","- C23 H18 O4 S -","- C92 H72 O16 S4 -","4","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","Electrochemically driven regioselective construction of 4-sulfenyl-isochromenones from <i>o</i>-alkynylbenzoates and diaryl disulfides.","Organic & biomolecular chemistry","2024","22","35","7111","7116","10.1039/d4ob01137f","","","0.71073","MoKα","","0.0659","0.0421","","","0.0895","0.1004","","","","","","1.015","","","","has coordinates","295335","2024-10-06","09:17:30",""
"7160093","16.1519","0.0017","9.96","0.0011","8.6943","0.0009","90","","98.929","0.01","90","","1381.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Zhou, Yuan-Xia; Liu, Feng-Qian; Wang, Guo-Qin; Yang, Dan; Han, Pan; Jing, Lin-Hai","Photoredox-catalyzed C(sp<sup>2</sup>)-H trifluoromethylation of 3-methylene-isoindolin-1-ones under metal-free conditions.","Organic & biomolecular chemistry","2024","22","34","6928","6932","10.1039/d4ob01046a","","x-ray","0.71073","MoKα","","0.1344","0.0643","","","0.1069","0.1341","","","","","","1.046","","","","has coordinates","294639","2024-09-06","01:58:35",""
"7160094","6.0016","0.0004","11.876","0.0007","11.5703","0.0008","90","","90.548","0.002","90","","824.64","0.09","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N2 P -","- C20 H15 N2 P -","- C40 H30 N4 P2 -","2","1","","Wang, Xin; Luo, Hui; Yang, Bo; Li, Ming; Ma, Yong-Jun; Wang, Xi-Cun; Quan, Zheng-Jun","Synthesis of 1,2,4-diazaphospholes <i>via</i> base-promoted cyclization reaction of hydrazonoyl chlorides and [Bu<sub>4</sub>N][P(SiCl<sub>3</sub>)<sub>2</sub>].","Organic & biomolecular chemistry","2024","22","35","7138","7142","10.1039/d4ob01260g","","","0.71073","MoKα","","0.0742","0.0435","","","0.0846","0.1008","","","","","","1.034","","","","has coordinates","295336","2024-10-06","09:17:36",""
"7160095","6.442","0.0002","14.9737","0.0005","17.2226","0.0007","90","","90","","90","","1661.3","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Jahan, Kousar; Sood, Mehak; Jain, Osheen; Sahoo, Subash C.; Bharatam, Prasad V.","Directed regioselective arylation of imidazo[1,2-<i>a</i>]pyridine-3-carboxamides using Rh(III) catalysis.","Organic & biomolecular chemistry","2024","22","35","7121","7127","10.1039/d4ob01166j","","x-ray","0.71073","MoKα","","0.0801","0.0504","","","0.1071","0.1213","","","","","","1.007","","","","has coordinates","295339","2024-10-06","09:18:16",""
"7160096","5.8856","0.001","13.443","0.002","26.71","0.005","90","","90","","90","","2113.3","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O6 S -","- C22 H22 N2 O6 S -","- C88 H88 N8 O24 S4 -","4","1","","Gi, Minseok; Oh, Daehyun; Yang, Sehun; Lee, Jaeyong; Jung, So Hyun; Baek, Ju Ha; Ha, Min Woo; Lee, Geumwoo; Park, Hyeung-Geun","Enantioselective Michael addition of 3-hydroxy-2-pyridone to nitroolefins using cinchona-derived bifunctional organocatalysts.","Organic & biomolecular chemistry","2024","22","34","7017","7023","10.1039/d4ob01042f","","","0.71073","MoKα","","0.151","0.0572","","","0.1368","0.1797","","","","","","1.05","","","","has coordinates,has disorder","294643","2024-09-06","01:59:06",""
"7160097","19.9273","0.0008","8.4314","0.0003","33.0097","0.0013","90","","107.202","0.0005","90","","5298","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,6-diiodo-4-methylphenyl)-3-methoxypropan-2-ol","","- C11 H14 I2 O2 -","- C11 H14 I2 O2 -","- C176 H224 I32 O32 -","16","4","","Al-Zoubi, Raed M; Al-Jammal, Walid K; Shkoor, Mohanad; Bani-Yaseen, Abdulilah D; Khan, Abbas; Agouni, Abdelali; McDonald, Robert","Efficient and regioselective synthesis of <i>ortho</i>-diiodinated homobenzylic alcohol derivatives: <i>in silico</i> evaluation as potential anticancer IDO/TDO inhibitors.","Organic & biomolecular chemistry","2024","22","36","7395","7410","10.1039/d4ob01076k","","","0.71073","MoKα","","0.0315","0.0246","","","0.0564","0.0592","","","","","","1.045","","","","has coordinates","295331","2024-10-06","09:16:55",""
"7160098","10.6792","0.0004","29.0562","0.0009","5.62368","0.00019","90","","92.355","0.002","90","","1743.54","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,6-diiodo-4-methylphenyl)-3-(2-methoxyphenoxy)propan-2-ol","","- C17 H18 I2 O3 -","- C17 H18 I2 O3 -","- C68 H72 I8 O12 -","4","1","","Al-Zoubi, Raed M; Al-Jammal, Walid K; Shkoor, Mohanad; Bani-Yaseen, Abdulilah D; Khan, Abbas; Agouni, Abdelali; McDonald, Robert","Efficient and regioselective synthesis of <i>ortho</i>-diiodinated homobenzylic alcohol derivatives: <i>in silico</i> evaluation as potential anticancer IDO/TDO inhibitors.","Organic & biomolecular chemistry","2024","22","36","7395","7410","10.1039/d4ob01076k","","","1.54178","CuKα","","0.0363","0.031","","","0.0811","0.0834","","","","","","1.023","","","","has coordinates","295331","2024-10-06","09:16:56",""
"7160099","7.827","0.004","10.029","0.004","17.446","0.008","89.147","0.006","87.469","0.006","82.695","0.006","1357","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Laha, Radha M.; Aich, Shobhon; Sarkar, Ankan Kumar; Dutta, Tanmoy; Ghosh, Narendra Nath; Khamarui, Saikat; Maiti, Dilip K.","New routes towards azomethine ylide generation from prolines to synthesize diverse N-heterocycles: a DFT supported endo-selective mechanism","Organic & Biomolecular Chemistry","2024","22","36","7411","7424","10.1039/D4OB01004C","","","0.71073","MoKα","","0.0744","0.0484","","","0.1106","0.124","","","","","","1.012","","","","has coordinates","295330","2024-10-06","09:16:43",""
"7160100","19.48","0.02","5.587","0.005","18.462","0.017","90","","101.83","0.03","90","","1967","3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N2 O2 -","- C23 H23 F N2 O2 -","- C92 H92 F4 N8 O8 -","4","1","","Laha, Radha M.; Aich, Shobhon; Sarkar, Ankan Kumar; Dutta, Tanmoy; Ghosh, Narendra Nath; Khamarui, Saikat; Maiti, Dilip K.","New routes towards azomethine ylide generation from prolines to synthesize diverse N-heterocycles: a DFT supported endo-selective mechanism","Organic & Biomolecular Chemistry","2024","22","36","7411","7424","10.1039/D4OB01004C","","","0.71073","MoKα","","0.2871","0.1224","","","0.2449","0.325","","","","","","1.081","","","","has coordinates","295330","2024-10-06","09:16:43",""
"7160101","10.32","0.002","13.45","0.003","26.043","0.005","90","","90","","90","","3614.9","1.3","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F N O2 -","- C22 H20 F N O2 -","- C176 H160 F8 N8 O16 -","8","1","","Chouhan, Raju; Gogoi, Abhijit; Das, Sajal Kumar","Constructing spirooxindoles from non-oxindole precursors: a one-pot nitro-reduction/double lactamization approach to spiro[indoline-3,3'-quinoline]-2,2'-diones.","Organic & biomolecular chemistry","2024","22","37","7601","7606","10.1039/d4ob01178c","","x-ray","0.71073","MoKα","","0.1439","0.0666","","","0.1518","0.2011","","","","","","1.002","","","","has coordinates,has disorder","295326","2024-10-06","09:14:27",""
"7160102","10.0792","0.0009","7.919","0.0004","11.2172","0.001","90","","115.357","0.011","90","","809.07","0.13","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C36 H38 N2 O4 S2 -","2","1","","Yang, Xiaodong; Yang, Feng; Zhang, Xiaoya","Iodine-mediated decarboxylative coupling to synthesize β-sulfonyl-ene-amines/2,3-diarythio-pyrroles from α-amino acids and sodium sulfinates.","Organic & biomolecular chemistry","2024","22","36","7321","7326","10.1039/d4ob01149j","","x-ray","0.71073","MoKα","","0.0679","0.0497","","","0.0933","0.1104","","","","","","1.085","","","","has coordinates","295334","2024-10-06","09:17:24",""
"7160103","14.641","0.003","10.835","0.002","12.117","0.002","90","","107.599","0.008","90","","1832.2","0.6","303","2","303","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","","Singh, Swati; Chakrabortty, Gopal; Tiwari, Kajal; Dagar, Neha; Raha Roy, Sudipta","Shining light for organophotocatalysed site-selective sulfonylation of anilides","Organic & Biomolecular Chemistry","2024","22","37","7690","7695","10.1039/D4OB01169D","","","0.71073","MoKα","","0.0607","0.0416","","","0.1083","0.1219","","","","","","1.018","","","","has coordinates","295325","2024-10-06","09:14:20",""
"7160104","4.0454","0.0003","10.5096","0.0008","19.0866","0.0016","90","","93.419","0.007","90","","810.03","0.11","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 Br2 N2 S -","- C6 H2 Br2 N2 S -","- C24 H8 Br8 N8 S4 -","4","1","","Ivanova, Yulia; Spittaels, Sander; Gao, Ling-Jie; Schols, Dominique; Van Meervelt, Luc; Froeyen, Mathy; Dehaen, Wim; De Jonghe, Steven","Synthesis and evaluation of isothiazolo[4,5-b]pyridines as cyclin G-associated kinase (GAK) inhibitors","Organic & Biomolecular Chemistry","2024","22","36","7373","7389","10.1039/D4OB00908H","","x-ray","0.71073","MoKα","","0.0499","0.0316","","","0.0582","0.0645","","","","","","1.082","","","","has coordinates","295332","2024-10-06","09:17:01",""
"7160105","15.8968","0.0006","11.2913","0.0004","16.5092","0.0006","90","","109.741","0.004","90","","2789.17","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H40 Cl4 N4 O4 S2 -","- C51 H40 Cl4 N4 O4 S2 -","- C102 H80 Cl8 N8 O8 S4 -","2","1","","Yu, Jing-Liang; Zhang, Qian-Mao; Cheng, Guo; Tang, Chun-Chun; Yang, Zhen-Yu; Li, Wen-Sheng; Wang, Li-Xin","A quinine-squaramide catalyzed enantioselective vinylogous Mannich reaction between benzothiazolimines and γ-butenolides for efficient preparation of chiral N-benzothiazole butyrolactones","Organic & Biomolecular Chemistry","2024","22","37","7612","7617","10.1039/D4OB01175A","","x-ray","1.54184","CuKα","","0.1093","0.089","","","0.2295","0.2561","","","","","","1.027","","","","has coordinates,has disorder","295324","2024-10-06","09:14:15",""
"7160106","13.1825","0.0004","8.4357","0.0002","19.1184","0.0006","90","","95.302","0.001","90","","2116.94","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Xian, Ning; Deng, Guo-Jun; Huang, Huawen","Formation of cyclopenta[c]quinolines through visible-light-induced photoredox cascade bis-annulations of 1,7-enynes with sulfoxonium ylides","Organic & Biomolecular Chemistry","2024","22","37","7618","7622","10.1039/D4OB01294A","","","1.34139","GaKα","","0.0438","0.0407","","","0.11","0.1124","","","","","","1.041","","","","has coordinates","295329","2024-10-06","09:15:38",""
"7160107","6.0544","0.0003","14.3219","0.0007","19.1147","0.0011","75.167","0.002","87.342","0.002","81.353","0.002","1583.95","0.14","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 B3 F2 N3 O4 -","- C33 H36 B3 F2 N3 O4 -","- C66 H72 B6 F4 N6 O8 -","2","1","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.0804","0.0663","","","0.1323","0.1397","","","","","","1.195","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160108","10.9103","0.0004","12.9379","0.0005","13.0853","0.0006","109.188","0.002","114.396","0.0014","95.4451","0.0015","1530.52","0.11","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 B Br2 Cl2 F2 N2 -","- C31.999 H30.998 B Br2 Cl1.998 F2 N2 -","- C63.998 H61.996 B2 Br4 Cl3.996 F4 N4 -","2","1","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.0614","0.0356","","","0.073","0.0835","","","","","","1.033","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160109","13.7645","0.0006","26.9797","0.0011","11.5721","0.0004","90","","93.3297","0.0015","90","","4290.2","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H55.25 B3 F2 N2.75 O4 -","- C44.5 H55.25 B3 F2 N2.75 O4 -","- C178 H221 B12 F8 N11 O16 -","4","1","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.1137","0.0884","","","0.1956","0.2097","","","","","","1.106","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160110","29.0246","0.0008","11.7719","0.0003","24.1756","0.0006","90","","90","","90","","8260.2","0.4","125","2","125","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C43 H53 B3 F2 N2 O4 -","- C43 H53 B3 F2 N2 O4 -","- C344 H424 B24 F16 N16 O32 -","8","2","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.1087","0.0739","","","0.1585","0.1742","","","","","","1.097","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160111","11.2401","0.0004","11.9427","0.0005","12.9055","0.0005","105.526","0.0014","94.7259","0.0013","104.81","0.0014","1592.44","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H38 B3 F2 N3 O5 -","- C33 H37.9998 B3 F2 N3 O5 -","- C66 H75.9996 B6 F4 N6 O10 -","2","1","","Alkaş, Adil; Kofsky, Joshua M.; Sullivan, Em C.; Nebel, Daisy; Robertson, Katherine N.; Capicciotti, Chantelle J.; Jakeman, David L.; Johnson, Erin R.; Thompson, Alison","BODIPYs α-appended with distyryl-linked aryl bisboronic acids: single-step cell staining and turn-on fluorescence binding with D-glucose.","Organic & biomolecular chemistry","2024","22","36","7448","7459","10.1039/d4ob01013b","","","0.71073","MoKα","","0.0811","0.0581","","","0.158","0.1905","","","","","","1.134","","","","has coordinates,has disorder","295333","2024-10-06","09:17:17",""
"7160112","11.43259","0.0001","24.93811","0.00018","8.39634","0.00006","90","","96.9186","0.0007","90","","2376.43","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 O2 -","- C36 H22 O2 -","- C144 H88 O8 -","4","1","","Mekeda, I. S.; Balakhonov, R. Yu; Shirinian, V. Z.","Switching the regioselectivity of acid-catalyzed reactions of arylnaphtho[2,1-<i>b</i>]furans <i>via</i> a [1,2]-aryl shift.","Organic & biomolecular chemistry","2024","22","37","7715","7724","10.1039/d4ob01223b","","x-ray","1.54184","CuKα","","0.038","0.0355","","","0.0908","0.0927","","","","","","1.069","","","","has coordinates","295323","2024-10-06","09:14:08",""
"7160116","19.563","0.003","17.74","0.003","21.9","0.004","90","","97.679","0.003","90","","7532","2","105","","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H40 Cl3 F15 N6 -","- C88 H40 Cl3 F15 N6 -","- C352 H160 Cl12 F60 N24 -","4","1","","Yadav, Bharti; Ravikanth, Mangalampalli","Synthesis of anthracene-bridged expanded rosarin.","Organic & biomolecular chemistry","2024","22","37","7607","7611","10.1039/d4ob01283f","","","0.71073","MoKα","","0.2322","0.096","","","0.2198","0.3151","","","","","","1.0958","","","","has coordinates","295327","2024-10-06","09:15:12",""
"7160117","5.5035","0.0007","14.3112","0.0018","10.2822","0.0014","90","","95.415","0.002","90","","806.23","0.18","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H5 F9 O2 Se3 -","- C10 H5 F9 O2 Se3 -","- C20 H10 F18 O4 Se6 -","2","0.5","","Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao","Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.","Organic & biomolecular chemistry","2024","22","37","7707","7714","10.1039/d4ob01134a","","","0.71073","MoKα","","0.0623","0.0429","","","0.1179","0.1268","","","","","","0.989","","","","has coordinates,has disorder","295328","2024-10-06","09:15:21",""
"7160118","13.12","0.003","15.873","0.004","7.9225","0.0017","90","","113.703","0.003","90","","1510.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H7 F6 N Se2 -","- C14 H7 F6 N Se2 -","- C56 H28 F24 N4 Se8 -","4","0.5","","Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao","Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.","Organic & biomolecular chemistry","2024","22","37","7707","7714","10.1039/d4ob01134a","","","0.71073","MoKα","","0.0326","0.0258","","","0.0699","0.0727","","","","","","1.054","","","","has coordinates","295328","2024-10-06","09:15:22",""
"7160119","11.7699","0.0017","13.869","0.002","16.099","0.002","90","","90","","90","","2627.9","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl2 F3 O8 Se -","- C24 H23 Cl2 F3 O8 Se -","- C96 H92 Cl8 F12 O32 Se4 -","4","1","","Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao","Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.","Organic & biomolecular chemistry","2024","22","37","7707","7714","10.1039/d4ob01134a","","","0.71073","MoKα","","0.0613","0.0405","","","0.0921","0.0998","","","","","","0.905","","","","has coordinates","295328","2024-10-06","09:15:22",""
"7160120","24.132","0.011","11.467","0.004","16.411","0.007","90","","125.672","0.012","90","","3689","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl2 F3 N O2 Se -","- C16 H12 Cl2 F3 N O2 Se -","- C128 H96 Cl16 F24 N8 O16 Se8 -","8","1","","Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao","Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.","Organic & biomolecular chemistry","2024","22","37","7707","7714","10.1039/d4ob01134a","","","0.71073","MoKα","","0.0978","0.0581","","","0.1463","0.1623","","","","","","0.957","","","","has coordinates","295328","2024-10-06","09:15:22",""
"7160123","14.4437","0.0005","5.5419","0.0002","20.4328","0.0006","90","","95.219","0.003","90","","1628.77","0.09","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Hikawa, Hidemasa; Fukuda, Akane; Kondo, Kazuma; Nakayama, Taku; Enda, Tomokatsu; Kikkawa, Shoko; Azumaya, Isao","Au(III)/TPPMS-catalyzed Friedel-Crafts benzylation of deactivated <i>N</i>-alkylanilines in water.","Organic & biomolecular chemistry","2024","22","38","7874","7879","10.1039/d4ob01234h","","x-ray","0.71073","MoKα","","0.07","0.0471","","","0.1041","0.1124","","","","","","1.028","","","","has coordinates","295345","2024-10-06","09:19:24",""
"7160124","7.8789","0.0009","14.2204","0.0013","10.1298","0.0019","90","","110.174","0.007","90","","1065.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C48 H50 N2 O12 -","2","1","","Manna, Sabyasachi; Sreedhara, Rahul Halanuru; Prabhu, Kandikere Ramaiah","Visible light-mediated radical addition cascade cyclization of aryl isocyanides with tricarbonyls: rapid access to substituted phenanthridines and isoquinolines.","Organic & biomolecular chemistry","2024","22","38","7786","7790","10.1039/d4ob01405g","","","0.71076","MoKα","","0.0346","0.0336","","","0.0917","0.0925","","","","","","1.086","","","","has coordinates","295343","2024-10-06","09:18:55",""
"7160125","12.1373","0.0011","21.089","0.003","20.202","0.002","90","","90","","90","","5171","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Cl7 Cu4 N8 -","- C44 H56 Cl7 Cu4 N8 -","- C176 H224 Cl28 Cu16 N32 -","4","1","","Ghosh, Kingkar; Ghosh, Narendra Nath; Choudhury, Prasun; Bhattacharjee, Subham; Saha, Rajat; Deb, Mayukh; Biswas, Kinkar","A benzimidazole-based Cu(ii) complex catalyzed site-selective C–H sulfenylation of imidazo-[1,2-a]pyridines using CS2 as a sulfur source","Organic & Biomolecular Chemistry","2024","22","38","7791","7800","10.1039/D4OB00868E","","","1.54016","CuKα","","0.1052","0.0851","","","0.225","0.2453","","","","","","1.209","","","","has coordinates","295342","2024-10-06","09:18:41",""
"7160126","7.7958","0.0009","11.076","0.0019","11.1247","0.0014","101.374","0.007","107.36","0.006","90.842","0.008","896","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl N2 S -","- C21 H17 Cl N2 S -","- C42 H34 Cl2 N4 S2 -","2","1","","Ghosh, Kingkar; Ghosh, Narendra Nath; Choudhury, Prasun; Bhattacharjee, Subham; Saha, Rajat; Deb, Mayukh; Biswas, Kinkar","A benzimidazole-based Cu(ii) complex catalyzed site-selective C–H sulfenylation of imidazo-[1,2-a]pyridines using CS2 as a sulfur source","Organic & Biomolecular Chemistry","2024","22","38","7791","7800","10.1039/D4OB00868E","","","0.71073","MoKα","","0.0795","0.0469","","","0.1489","0.1963","","","","","","0.746","","","","has coordinates","295342","2024-10-06","09:18:41",""
"7160131","9.9951","0.001","17.872","0.002","8.3591","0.0009","90","","122.348","0.005","90","","1261.5","0.2","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","Gao, Zhiwei; Hou, Zhiguo; Gao, Hongyin","Regioselective synthesis of 2-aminophenols from <i>N</i>-arylhydroxylamines.","Organic & biomolecular chemistry","2024","22","38","7801","7805","10.1039/d4ob01281j","","","1.54178","CuKα","","0.0661","0.0656","","","0.1406","0.1415","","","","","","1.175","","","","has coordinates","295341","2024-10-06","09:18:34",""
"7160132","8.944","0.003","19.542","0.007","12.592","0.004","90","","100.017","0.007","90","","2167.3","1.3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C100 H80 Cl4 N8 O8 -","- C100 H84 Cl4 N8 O8 -","- C100 H84 Cl4 N8 O8 -","1","0.5","","Hu, Jiang; Liu, Jidan; Cui, Wenwen; Zheng, Liyao; Wang, Renjie; Liu, Zhao-Qing; Pu, Shouzhi","Rh(III)-catalyzed [4 + 1] annulation of 1-arylindazolones with alkynyl cyclobutanols: access to indazolo[1,2-<i>a</i>]indazolones.","Organic & biomolecular chemistry","2024","22","32","6500","6505","10.1039/d4ob01067a","","","0.71073","MoKα","","0.2093","0.15","","","0.359","0.3784","","","","","","1.959","","","","has coordinates","294393","2024-09-05","08:37:51",""
"7160167","5.713","0.002","9.479","0.004","12.31","0.005","102.192","0.01","96.254","0.01","105.998","0.009","616.4","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","1","","Chouhan, Raju; Gogoi, Abhijit; Das, Sajal Kumar","Constructing spirooxindoles from non-oxindole precursors: a one-pot nitro-reduction/double lactamization approach to spiro[indoline-3,3'-quinoline]-2,2'-diones.","Organic & biomolecular chemistry","2024","22","37","7601","7606","10.1039/d4ob01178c","","","0.71073","MoKα","","0.085","0.0534","","","0.1243","0.1432","","","","","","1.02","","","","has coordinates","295072","2024-10-05","12:34:26",""
"7160168","8.576","0.003","38.304","0.013","10.469","0.004","90","","109.747","0.01","90","","3237","2","140.02","","140.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl2 N3 O5 Pd S -","- C30 H41 Cl2 N3 O5 Pd S -","- C120 H164 Cl8 N12 O20 Pd4 S4 -","4","1","","Mandal, Subham; Sarkar, Piyali; Ghosh, Pradyut","A macrocycle-based new organometallic nano-vessel towards sustainable C2-selective arylation of free indole in water.","Organic & biomolecular chemistry","2024","22","36","7438","7447","10.1039/d4ob00886c","","","0.71073","MoKα","","0.1076","0.0933","","","0.2378","0.2494","","","","","","1.07","","","","has coordinates","295073","2024-10-05","12:36:15",""
"7160169","6.9833","0.0006","7.9155","0.0007","24.658","0.002","90","","91.509","0.005","90","","1362.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O3 -","- C14 H13 Cl N2 O3 -","- C56 H52 Cl4 N8 O12 -","4","1","","Punna, Shiva Kumar; Arockiaraj, Mariyaraj; Rajeshkumar, Venkatachalam","I<sub>2</sub>-catalyzed tandem sp<sup>3</sup> C-H oxidation and annulation of aryl methyl ketones with amidoximes for the synthesis of 5-aroyl-1,2,4-oxadiazoles.","Organic & biomolecular chemistry","2024","22","36","7478","7484","10.1039/d4ob01221f","","","0.71073","MoKα","","0.0732","0.0468","","","0.1193","0.1373","","","","","","0.99","","","","has coordinates","295074","2024-10-05","12:36:37",""
"7160170","7.695","0.0005","13.3275","0.0011","15.5682","0.0014","90","","93.638","0.004","90","","1593.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Cl2 F3 N2 O2 -","- C16 H7 Cl2 F3 N2 O2 -","- C64 H28 Cl8 F12 N8 O8 -","4","1","","Punna, Shiva Kumar; Arockiaraj, Mariyaraj; Rajeshkumar, Venkatachalam","I<sub>2</sub>-catalyzed tandem sp<sup>3</sup> C-H oxidation and annulation of aryl methyl ketones with amidoximes for the synthesis of 5-aroyl-1,2,4-oxadiazoles.","Organic & biomolecular chemistry","2024","22","36","7478","7484","10.1039/d4ob01221f","","","0.71073","MoKα","","0.1071","0.0592","","","0.1628","0.1949","","","","","","1.022","","","","has coordinates","295074","2024-10-05","12:36:38",""
"7207281","13.9868","0.0009","14.1476","0.0007","15.63","0.001","64.206","0.006","69.087","0.006","84.192","0.005","2595.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H65 B2 N O -","- C58 H65 B2 N O -","- C116 H130 B4 N2 O2 -","2","1","","Lin, Ming-Shiang; Chi, Liang-Chen; Chang, Hong-Wei; Huang, Yi-Hsiang; Tien, Kun-Cheng; Chen, Chung-Chia; Chang, Chih-Hao; Wu, Chung-Chih; Chaskar, Atul; Chou, Shu-Hua; Ting, Hao-Chun; Wong, Ken-Tsung; Liu, Yi-Hong; Chi, Yun","A diarylborane-substituted carbazole as a universal bipolar host material for highly efficient electrophosphorescence devices","Journal of Materials Chemistry","2012","22","3","870","","10.1039/c1jm13323c","","","1.54178","CuKα","","0.0955","0.07","","","0.1948","0.2404","","","","","","1.053","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207282","10.828","0.002","20.059","0.006","14.318","0.004","90","","90","","90","","3109.9","1.4","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cl5 N4 Sb -","- C6 H10 Cl5 N4 Sb -","- C48 H80 Cl40 N32 Sb8 -","8","1","","Piecha, Anna; Białońska, Agata; Jakubas, Ryszard","Novel organic‒inorganic hybrid ferroelectric: bis(imidazolium) pentachloroantimonate(iii), (C3N2H5)2SbCl5","Journal of Materials Chemistry","2012","22","2","333","","10.1039/c1jm13597j","","","0.71073","MoKα","","0.0392","0.0288","","","0.0666","0.0722","","","","","","1.114","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207283","14.211","0.002","19.93","0.003","10.786","0.002","90","","90","","90","","3054.9","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H10 Cl5 N4 Sb -","- C6 H10 Cl5 N4 Sb -","- C48 H80 Cl40 N32 Sb8 -","8","2","","Piecha, Anna; Białońska, Agata; Jakubas, Ryszard","Novel organic‒inorganic hybrid ferroelectric: bis(imidazolium) pentachloroantimonate(iii), (C3N2H5)2SbCl5","Journal of Materials Chemistry","2012","22","2","333","","10.1039/c1jm13597j","","","0.71073","MoKα","","0.0226","0.0194","","","0.0455","0.0469","","","","","","1.065","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207284","9.91022","0.00013","9.91022","0.00013","7.32094","0.00014","90","","90","","120","","622.679","0.017","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ge6 La7.93 O26 Sr2 -","- Ge6 La7.9312 O26 Sr2 -","- Ge6 La7.9312 O26 Sr2 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.424","","","","","","","has coordinates","288312","2023-12-14","15:05:57",""
"7207285","9.90847","0.00018","9.90847","0.00018","7.32192","0.00016","90","","90","","120","","622.54","0.02","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ge5.84 La7.93 O26 Sr2 V0.16 -","- Ge5.8446 La7.9308 O26 Sr2 V0.1554 -","- Ge5.8446 La7.9308 O26 Sr2 V0.1554 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.388","","","","","","","has coordinates","288312","2023-12-14","15:06:16",""
"7207286","9.90941","0.00013","9.90941","0.00013","7.32414","0.00015","90","","90","","120","","622.849","0.017","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ge5.58 La7.99 O26 Sr2 V0.42 -","- Ge5.5848 La7.9884 O26 Sr2.0004 V0.4152 -","- Ge5.5848 La7.9884 O26 Sr2.0004 V0.4152 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.44","","","","","","","has coordinates","288312","2023-12-14","15:06:29",""
"7207287","9.87089","0.00015","9.87089","0.00015","7.22428","0.00017","90","","90","","120","","609.59","0.019","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ca2 Ge6 La7.8 O26 -","- Ca1.998 Ge6 La7.794 O26 -","- Ca1.998 Ge6 La7.794 O26 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.526","","","","","","","has coordinates","288312","2023-12-14","15:06:35",""
"7207288","9.86956","0.00014","9.86956","0.00014","7.22553","0.00016","90","","90","","120","","609.531","0.018","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ca2 Ge5.62 La7.82 O26 V0.38 -","- Ca1.998 Ge5.6214 La7.83 O26 V0.3786 -","- Ca1.998 Ge5.6214 La7.83 O26 V0.3786 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.489","","","","","","","has coordinates","288312","2023-12-14","15:06:43",""
"7207289","9.87087","0.00016","9.87087","0.00016","7.22604","0.00019","90","","90","","120","","609.74","0.02","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ca2 Ge5.35 La7.88 O26 V0.65 -","- Ca1.998 Ge5.3454 La7.874 O26 V0.6546 -","- Ca1.998 Ge5.3454 La7.874 O26 V0.6546 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.416","","","","","","","has coordinates","288312","2023-12-14","15:07:52",""
"7207290","9.97963","0.00016","9.97963","0.00016","7.41046","0.00017","90","","90","","120","","639.15","0.02","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ba2 Ge6 La7.88 O26 -","- Ba2.004 Ge6 La7.876 O26 -","- Ba2.004 Ge6 La7.876 O26 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.478","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207291","9.97623","0.00015","9.97623","0.00015","7.41273","0.00016","90","","90","","120","","638.913","0.019","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ba2 Ge5.66 La7.88 O26 V0.34 -","- Ba2.004 Ge5.6628 La7.884 O26 V0.3372 -","- Ba2.004 Ge5.6628 La7.884 O26 V0.3372 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.444","","","","","","","has coordinates","190010","2020-10-21","18:00:00",""
"7207292","9.97861","0.00017","9.97861","0.00017","7.41128","0.00018","90","","90","","120","","639.09","0.02","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","Germanate electrolyte Apatite","","","- Ba2 Ge5.29 La7.67 O26 V0.71 -","- Ba1.996 Ge5.292 La7.668 O26 V0.708 -","- Ba1.996 Ge5.292 La7.668 O26 V0.708 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Slater, Peter R.; Brink, Frank; Hester, James; Wallwork, Kia; White, Tim J.","Synthesis and characterisation of vanadium doped alkaline earth lanthanum germanate oxyapatite electrolyte","Journal of Materials Chemistry","2012","22","6","2658","","10.1039/c1jm13752b","powder diffraction","neutron","1.622","Neutron","","","","","","","","","","1.518","","","","","","","has coordinates","190010","2020-10-21","18:00:00",""
"7207293","9.589","0.003","13.452","0.004","14.158","0.004","106.847","0.003","91.096","0.005","100.771","0.004","1711.9","0.9","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N4 O4 -","- C44 H34 N4 O4 -","- C88 H68 N8 O8 -","2","1","","Tabata, Hideyuki; Tokoyama, Hiroaki; Yamakado, Hideo; Okuno, Tsunehisa","Preparation and properties of two-legged ladder polymers based on polydiacetylenes","Journal of Materials Chemistry","2012","22","1","115","","10.1039/c1jm13896k","","","0.71075","MoKα","","","0.0613","","","","0.1771","","","","","","1.004","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207294","12.339","0.003","4.748","0.0009","16.949","0.003","90","","110.06","0.03","90","","932.7","0.4","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z, Z)-cyclo[2](dibenzo[b,d]thiophen-2, 8-yl-ethylene)","","- C28 H16 S2 -","- C28 H16 S2 -","- C56 H32 S4 -","2","0.5","","Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben","Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures","Journal of Materials Chemistry","2012","22","4","1313","","10.1039/c1jm13962b","","","0.71073","MoKα","","0.0352","0.0326","","","0.0882","0.0905","","","","","","1.037","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207295","18.924","0.004","6.2925","0.0013","7.9164","0.0016","90","","99.48","0.03","90","","929.8","0.3","173","2","173","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","(Z)-1, 2-bis(dibenzo[b,d]thiophen-2-yl)ethene","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben","Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures","Journal of Materials Chemistry","2012","22","4","1313","","10.1039/c1jm13962b","","","0.71073","MoKα","","0.0879","0.0706","","","0.1345","0.1423","","","","","","1.159","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207296","6.792","0.0015","10.677","0.002","12.729","0.003","90","","97.719","0.004","90","","914.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1, 2-bis(dibenzo[b,d]thiophen-2-yl)ethene","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","0.5","","Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben","Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures","Journal of Materials Chemistry","2012","22","4","1313","","10.1039/c1jm13962b","","","0.71073","MoKα","","0.066","0.0617","","","0.1154","0.1176","","","","","","1.234","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207297","7.129","0.003","13.514","0.005","6.915","0.003","90","","91.715","0.005","90","","665.9","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-nitro-5-methoxy-1,2,4-oxadiazole","","- C4 H7 N5 O2 -","- C4 H7 N5 O2 -","- C16 H28 N20 O8 -","4","1","","Fu, Zhanda; He, Cheng; Chen, Fu-xue","Synthesis and characteristics of a novel, high-nitrogen, heat-resistant, insensitive material (NOG2Tz)","Journal of Materials Chemistry","2012","22","1","60","","10.1039/c1jm14232a","","","0.71073","MoKα","","0.0784","0.0492","","","0.1355","0.147","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207298","5.75","0.002","8.875","0.003","15.739","0.006","80.614","0.011","80.732","0.01","81.456","0.01","775.9","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","3,6-di(3-nitro-1,2,4-oxadiazole)-di(3-nitro-1,2,4-oxadiazole)-1,2,4,5-tetrazine","","- C16 H30 N16 O10 S4 -","- C16 H30 N16 O10 S4 -","- C16 H30 N16 O10 S4 -","1","0.5","","Fu, Zhanda; He, Cheng; Chen, Fu-xue","Synthesis and characteristics of a novel, high-nitrogen, heat-resistant, insensitive material (NOG2Tz)","Journal of Materials Chemistry","2012","22","1","60","","10.1039/c1jm14232a","","","0.71073","MoKα","","0.0858","0.0511","","","0.1117","0.1271","","","","","","1.002","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7207299","7.736","0.007","9.684","0.009","12.512","0.011","100.163","0.015","98.071","0.011","100.744","0.009","891.8","1.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N9 O2 -","- C4 H7 N9 O2 -","- C16 H28 N36 O8 -","4","2","","Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping","Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole","Journal of Materials Chemistry","2012","22","2","666","","10.1039/c1jm14322k","","","0.71073","MoKα","","0.0765","0.0472","","","0.0995","0.1054","","","","","","0.999","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207300","5.681","0.0016","7.222","0.002","19.096","0.006","90","","97.778","0.004","90","","776.3","0.4","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N18 -","- C8 H14 N18 -","- C16 H28 N36 -","2","0.5","","Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping","Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole","Journal of Materials Chemistry","2012","22","2","666","","10.1039/c1jm14322k","","","0.71073","MoKα","","0.045","0.0353","","","0.0884","0.0935","","","","","","1.002","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207301","15.592","0.004","10.246","0.002","9.813","0.002","90","","90.405","0.004","90","","1567.6","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N9 O2 -","- C3 H5 N9 O2 -","- C24 H40 N72 O16 -","8","2","","Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping","Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole","Journal of Materials Chemistry","2012","22","2","666","","10.1039/c1jm14322k","","","0.71073","MoKα","","0.0636","0.0533","","","0.1291","0.1374","","","","","","0.998","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7207302","15.4598","0.0016","10.805","0.0011","9.9452","0.0011","90","","90","","90","","1661.3","0.3","296","2","296","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- B2 O7 Pb4 -","- B2 O7 Pb4 -","- B16 O56 Pb32 -","8","","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Zhao, Wenwu; Zhang, Fangfang; Li, Hongyi; Yang, Zhihua","A new congruent-melting oxyborate, Pb4O(BO3)2 with optimally aligned BO3 triangles adopting layered-type arrangement","Journal of Materials Chemistry","2012","22","5","2105","","10.1039/c1jm14590h","","","0.71073","MoKα","","0.0329","0.0301","","","0.0695","0.0712","","","","","","1.064","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207303","10.773","0.004","10.773","0.004","13.947","0.005","90","","90","","90","","1618.7","1","108","2","108","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C19 H20 N O8 Zn -","- C13 N O4 Zn -","- C26 N2 O8 Zn2 -","2","0.125","","Henke, Sebastian; Schneemann, Andreas; Kapoor, Shobhna; Winter, Roland; Fischer, Roland A.","Zinc-1,4-benzenedicarboxylate-bipyridine frameworks ‒ linker functionalization impacts network topology during solvothermal synthesis","Journal of Materials Chemistry","2012","22","3","909","","10.1039/c1jm14791a","","","0.71073","MoKα","","0.0873","0.0348","","","0.052","0.0663","","","","","","0.658","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207304","11.78","0.02","18.24","0.03","8.28","0.007","90","","123.97","0.1","90","","1475","4","106.7","","106.7","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H12 N O6 Zn -","- C15 H12 N O6 Zn -","- C60 H48 N4 O24 Zn4 -","4","0.5","","Henke, Sebastian; Schneemann, Andreas; Kapoor, Shobhna; Winter, Roland; Fischer, Roland A.","Zinc-1,4-benzenedicarboxylate-bipyridine frameworks ‒ linker functionalization impacts network topology during solvothermal synthesis","Journal of Materials Chemistry","2012","22","3","909","","10.1039/c1jm14791a","","","0.71073","MoKα","","0.1803","0.0906","","","0.1535","0.1903","","","","","","1.029","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207305","6.737","0.002","8.541","0.003","8.965","0.003","79.742","0.007","68.025","0.007","67.714","0.007","442.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C24 H16 N2 -","1","0.5","","Xu, Yuanxiang; Zhang, Houyu; Li, Feng; Shen, Fangzhong; Wang, Huan; Li, Xianjie; Yu, Yang; Ma, Yuguang","Supramolecular interaction-induced self-assembly of organic molecules into ultra-long tubular crystals with wave guiding and amplified spontaneous emission","Journal of Materials Chemistry","2012","22","4","1592","","10.1039/c1jm14815j","","","0.71073","MoKα","","0.1464","0.0563","","","0.1176","0.1574","","","","","","0.946","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207306","8.2215","0.0005","18.0008","0.0011","17.3401","0.0011","90","","100.406","0.001","90","","2524","0.3","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 -","- C36 H24 N2 -","- C144 H96 N8 -","4","1","","Gong, Shaolong; He, Xun; Chen, Yonghua; Jiang, Zuoquan; Zhong, Cheng; Ma, Dongge; Qin, Jingui; Yang, Chuluo","Simple CBP isomers with high triplet energies for highly efficient blue electrophosphorescence","Journal of Materials Chemistry","2012","22","7","2894","","10.1039/c1jm14903b","","","0.71073","MoKα","","0.0941","0.0536","","","0.1088","0.122","","","","","","0.939","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207307","8.942","0.0018","13.149","0.003","14.67","0.003","68.23","0.03","84.59","0.03","75.23","0.03","1548.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N4 O4 -","- C35 H35 N4 O4 -","- C70 H70 N8 O8 -","2","1","","Liu, Yunlong; Lv, Xin; Zhao, Yun; Liu, Jing; Sun, Yuan-Qiang; Wang, Pi; Guo, Wei","A Cu(ii)-based chemosensing ensemble bearing rhodamine B fluorophore for fluorescence turn-on detection of cyanide","Journal of Materials Chemistry","2012","22","5","1747","","10.1039/c1jm15072c","","","0.71073","MoKα","","0.1226","0.0666","","","0.1276","0.1534","","","","","","1.024","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207308","12.2737","0.0019","24.368","0.004","12.778","0.0019","90","","99.816","0.002","90","","3765.8","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H80 Cl4 Cu4 N12 O8 -","- C78 H80 Cl4 Cu4 N12 O8 -","- C156 H160 Cl8 Cu8 N24 O16 -","2","0.5","","Liu, Yunlong; Lv, Xin; Zhao, Yun; Liu, Jing; Sun, Yuan-Qiang; Wang, Pi; Guo, Wei","A Cu(ii)-based chemosensing ensemble bearing rhodamine B fluorophore for fluorescence turn-on detection of cyanide","Journal of Materials Chemistry","2012","22","5","1747","","10.1039/c1jm15072c","","","0.71073","MoKα","","0.081","0.0583","","","0.148","0.1613","","","","","","1.296","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207313","19.033","0.005","14.272","0.004","26.672","0.007","90","","94.787","0.004","90","","7220","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cl2 F6 Ir N4 O2 P -","- C37 H26 Cl2 F6 Ir N4 O2 P -","- C296 H208 Cl16 F48 Ir8 N32 O16 P8 -","8","1","","Cao, Xinhua; Wu, Yongquan; Liu, Keyin; Yu, Xudong; Wu, Bo; Wu, Huazhou; Gong, Zuguang; Yi, Tao","Iridium complex triggered white-light-emitting gel and its response to cysteine","Journal of Materials Chemistry","2012","22","6","2650","","10.1039/c2jm13826c","","","0.71073","MoKα","","0.0628","0.0447","","","0.1255","0.1353","","","","","","1.076","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207314","15.07392","","15.07392","","15.07392","","90","","90","","90","","3425.14","","293","","293","","","","","","","","","4","P a -3","-P 2ac 2ab","205","","","","- Ca3 N2 O4 Si2 -","- Ca3 N2 O4 Si2 -","- Ca72 N48 O96 Si48 -","24","1","","Wang, Xiao-Ming; Wang, Chun-Hai; Wu, M. M.; Wang, Y. X.; Jing, Xi-Ping","O/N ordering in the structure of Ca3Si2O4N2 and the luminescence properties of the Ce3+ doped material","Journal of Materials Chemistry","2012","22","8","3388","","10.1039/c2jm13852b","powder diffraction","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207315","10.4133","0.0006","10.899","0.0005","13.074","0.0006","77.607","0.004","77.442","0.004","86.648","0.004","1414.47","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 La2 N3 O17 -","- C21 H17 La2 N3 O17 -","- C42 H34 La4 N6 O34 -","2","1","","Rao, Xingtang; Huang, Qian; Yang, Xiuli; Cui, Yuanjing; Yang, Yu; Wu, Chuande; Chen, Banglin; Qian, Guodong","Color tunable and white light emitting Tb3+ and Eu3+ doped lanthanide metal‒organic framework materials","Journal of Materials Chemistry","2012","22","7","3210","","10.1039/c2jm14127b","","","0.71073","MoKα","","0.0764","0.0454","","","0.0975","0.1149","","","","","","1.124","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207316","9.808","0.002","11.209","0.002","12.043","0.002","79.92","0.03","87.34","0.03","65.46","0.03","1185.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Cl3 N2 O4 Re -","- C23 H16 Cl3 N2 O4 Re -","- C46 H32 Cl6 N4 O8 Re2 -","2","1","","Liu, Xiaoming; Xia, Hong; Gao, Wei; Wu, Qiaolin; Fan, Xiao; Mu, Ying; Ma, Chunsheng","New rhenium(i) complexes with substituted diimine ligands for highly efficient phosphorescent devices fabricated by a solution process","Journal of Materials Chemistry","2012","22","8","3485","","10.1039/c2jm14222h","","","0.71073","MoKα","","0.036","0.0344","","","0.0927","0.0934","","","","","","1.088","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207317","21.756","0.004","11.09","0.002","11.085","0.002","90","","119.155","0.002","90","","2335.7","0.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H52 Mn2 N8 O12 -","- C44 H52 Mn2 N8 O12 -","- C88 H104 Mn4 N16 O24 -","2","0.5","","Yang, Peng; He, Xiang; Li, Ming-Xing; Ye, Qiong; Ge, Jia-Zhen; Wang, Zhao-Xi; Zhu, Shou-Rong; Shao, Min; Cai, Hong-Ling","The first homochiral coordination polymer with temperature-independent piezoelectric and dielectric properties","Journal of Materials Chemistry","2012","22","6","2398","","10.1039/c2jm14961c","","","0.71073","MoKα","","0.0264","0.0246","","","0.0621","0.0632","","","","","","1.045","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207318","7.521","0.012","17.21","0.03","19.15","0.03","90","","95.26","0.02","90","","2468","7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H64 Co2 N12 O16 -","- C44 H58 Co2 N12 O16 -","- C88 H116 Co4 N24 O32 -","2","1","","Yang, Peng; He, Xiang; Li, Ming-Xing; Ye, Qiong; Ge, Jia-Zhen; Wang, Zhao-Xi; Zhu, Shou-Rong; Shao, Min; Cai, Hong-Ling","The first homochiral coordination polymer with temperature-independent piezoelectric and dielectric properties","Journal of Materials Chemistry","2012","22","6","2398","","10.1039/c2jm14961c","","","0.71073","MoKα","","0.1661","0.0738","","","0.1243","0.1502","","","","","","1.035","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207319","9.0582","0.0001","9.0582","0.0001","12.566","0.0002","90","","90","","90","","1031.05","0.02","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","","0.71073","MoKα","","0.0342","0.033","","","0.0973","0.098","","","","","","1.16","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207320","8.9664","0.0003","8.9664","0.0003","12.3548","0.0003","90","","90","","90","","993.28","0.05","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.0714","0.0569","","","0.1386","0.1498","","","","","","1.099","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207321","8.8645","0.0003","8.8645","0.0003","12.1191","0.0003","90","","90","","90","","952.31","0.05","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.0893","0.0742","","","0.1945","0.2061","","","","","","1.385","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207322","8.8048","0.0002","8.8048","0.0002","12.031","0.0002","90","","90","","90","","932.7","0.03","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C4 H12 Cu N6 O6 -","- C4 H12 Cu N6 O6 -","- C16 H48 Cu4 N24 O24 -","4","0.5","","Spencer, Elinor C.; Ross, Nancy L.; Angel, Ross J.","The high pressure behaviour of the 3D copper carbonate framework {[Cu(CO3)2](CH6N3)2}n","Journal of Materials Chemistry","2012","22","5","2074","","10.1039/c2jm15206a","","x-ray","0.71073","MoKα","","0.1045","0.0884","","","0.2416","0.2658","","","","","","1.145","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207323","12.363","0.013","5.876","0.005","15.136","0.016","90","","90.31","0.08","90","","1099.5","1.9","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2,2-dinitroethyl)nitramine","","","- C4 H6 N6 O10 -","- C4 H6 N6 O10 -","- C16 H24 N24 O40 -","4","0.5","","Song, Jinhong; Zhou, Zhiming; Dong, Xiao; Huang, Haifeng; Cao, Dan; Liang, Lixuan; Wang, Kai; Zhang, Jun; Chen, Fu-xue; Wu, Yukai","Super-high-energy materials based on bis(2,2-dinitroethyl)nitramine","Journal of Materials Chemistry","2012","22","7","3201","","10.1039/c2jm15310f","","","0.71073","MoKα","","0.0622","0.0507","","","0.0967","0.0995","","","","","","1.08","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207369","30.7917","0.0004","10.2374","0.0001","11.7082","0.0002","90","","90.481","0.001","90","","3690.61","0.09","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N4 Si -","- C44 H40 N4 Si -","- C176 H160 N16 Si4 -","4","0.5","","Mei, J.; Wang, J.; Qin, A.; Zhao, H.; Yuan, W.; Zhao, Z.; Sung, H. H. Y.; Deng, C.; Zhang, S.; Williams, I. D.; Sun, J. Z.; Tang, B. Z.","Construction of soft porous crystal with silole derivative: strategy of framework design, multiple structural transformability and mechanofluorochromism","Journal of Materials Chemistry","2012","22","10","4290","","10.1039/c1jm12673c","","","1.54178","CuKα","","0.0396","0.0366","","","0.1015","0.1043","","","","","","1.036","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207370","13.268","0.003","10.287","0.002","13.771","0.004","90","","113.39","0.03","90","","1725.1","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H32 N4 O Si -","- C41 H32 N4 O Si -","- C82 H64 N8 O2 Si2 -","2","0.5","","Mei, J.; Wang, J.; Qin, A.; Zhao, H.; Yuan, W.; Zhao, Z.; Sung, H. H. Y.; Deng, C.; Zhang, S.; Williams, I. D.; Sun, J. Z.; Tang, B. Z.","Construction of soft porous crystal with silole derivative: strategy of framework design, multiple structural transformability and mechanofluorochromism","Journal of Materials Chemistry","2012","22","10","4290","","10.1039/c1jm12673c","","","1.54178","CuKα","","0.095","0.0562","","","0.1091","0.1175","","","","","","1.003","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207371","17.8066","0.0007","8.6123","0.0004","16.768","0.0007","90","","93.194","0.004","90","","2567.48","0.19","295","1","295","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","1","","Kanth Siram, Raja Bhaskar; Smith, Jeremy; Anthopoulos, Thomas D.; Patil, Satish","Acenaphtho[1,2-b]quinoxaline based low band gap copolymers for organic thin film transistor applications","Journal of Materials Chemistry","2012","22","10","4450","","10.1039/c1jm13540f","","x-ray","0.71073","MoKα","","0.1026","0.0546","","","0.1356","0.1551","","","","","","1.086","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207372","26.232","0.005","10","0.002","15.213","0.003","90","","100.53","0.03","90","","3923.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 B N O2 -","- C25 H18 B N O2 -","- C200 H144 B8 N8 O16 -","8","1","","Li, Di; Zhang, Hongyu; Wang, Chenguang; Huang, Shuo; Guo, Jianhua; Wang, Yue","Construction of full-color-tunable and strongly emissive materials by functionalizing a boron-chelate four-ring-fused π-conjugated core","Journal of Materials Chemistry","2012","22","10","4319","","10.1039/c1jm14606h","","","0.71073","MoKα","","0.1743","0.0742","","","0.1247","0.154","","","","","","0.997","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207373","9.781","0.002","13.651","0.003","16.457","0.005","90","","114.07","0.02","90","","2006.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 B N O S -","- C25 H18 B N O S -","- C100 H72 B4 N4 O4 S4 -","4","1","","Li, Di; Zhang, Hongyu; Wang, Chenguang; Huang, Shuo; Guo, Jianhua; Wang, Yue","Construction of full-color-tunable and strongly emissive materials by functionalizing a boron-chelate four-ring-fused π-conjugated core","Journal of Materials Chemistry","2012","22","10","4319","","10.1039/c1jm14606h","","","0.71073","MoKα","","0.1106","0.0542","","","0.1284","0.1502","","","","","","1.043","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207374","13.017","0.003","12.93","0.003","18.193","0.006","90","","132.518","0.018","90","","2256.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B N2 O S -","- C27 H23 B N2 O S -","- C108 H92 B4 N8 O4 S4 -","4","1","","Li, Di; Zhang, Hongyu; Wang, Chenguang; Huang, Shuo; Guo, Jianhua; Wang, Yue","Construction of full-color-tunable and strongly emissive materials by functionalizing a boron-chelate four-ring-fused π-conjugated core","Journal of Materials Chemistry","2012","22","10","4319","","10.1039/c1jm14606h","","","0.71073","MoKα","","0.0804","0.0445","","","0.1006","0.1137","","","","","","1.023","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207375","12.881","0.002","9.6559","0.0016","13.088","0.002","90","","110.357","0.003","90","","1526.2","0.4","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 La2 O14 S -","- C8 H12 La2 O14 S -","- C32 H48 La8 O56 S4 -","4","1","","D'Vries, Richard F.; Iglesias, Marta; Snejko, Natalia; Alvarez-Garcia, Susana; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Mixed lanthanide succinate‒sulfate 3D MOFs: catalysts in nitroaromatic reduction reactions and emitting materials","Journal of Materials Chemistry","2012","22","3","1191","","10.1039/c1jm14677g","","","0.71073","MoKα","","0.0472","0.0344","","","0.0733","0.076","","","","","","1.183","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207376","12.758","0.001","9.5881","0.0008","12.9304","0.0011","90","","110.233","0.001","90","","1484.1","0.2","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O14 Pr2 S -","- C8 H12 O14 Pr2 S -","- C32 H48 O56 Pr8 S4 -","4","1","","D'Vries, Richard F.; Iglesias, Marta; Snejko, Natalia; Alvarez-Garcia, Susana; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Mixed lanthanide succinate‒sulfate 3D MOFs: catalysts in nitroaromatic reduction reactions and emitting materials","Journal of Materials Chemistry","2012","22","3","1191","","10.1039/c1jm14677g","","","0.71073","MoKα","","0.0429","0.0356","","","0.0907","0.0925","","","","","","1.376","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207377","12.7225","0.0019","9.5748","0.0014","12.897","0.002","90","","110.205","0.002","90","","1474.4","0.4","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Nd2 O14 S -","- C8 H12 Nd2 O14 S -","- C32 H48 Nd8 O56 S4 -","4","1","","D'Vries, Richard F.; Iglesias, Marta; Snejko, Natalia; Alvarez-Garcia, Susana; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Mixed lanthanide succinate‒sulfate 3D MOFs: catalysts in nitroaromatic reduction reactions and emitting materials","Journal of Materials Chemistry","2012","22","3","1191","","10.1039/c1jm14677g","","","0.71073","MoKα","","0.0836","0.0696","","","0.1961","0.2002","","","","","","1.314","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207378","12.6365","0.0006","9.5308","0.0004","12.8091","0.0006","90","","110.128","0.001","90","","1448.46","0.11","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O14 S Sm2 -","- C8 H12 O14 S Sm2 -","- C32 H48 O56 S4 Sm8 -","4","1","","D'Vries, Richard F.; Iglesias, Marta; Snejko, Natalia; Alvarez-Garcia, Susana; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Mixed lanthanide succinate‒sulfate 3D MOFs: catalysts in nitroaromatic reduction reactions and emitting materials","Journal of Materials Chemistry","2012","22","3","1191","","10.1039/c1jm14677g","","","0.71073","MoKα","","0.0489","0.0365","","","0.0821","0.085","","","","","","1.272","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207379","5.2396","0.0002","11.2287","0.0004","11.5459","0.0005","94.362","0.003","99.095","0.002","103.466","0.002","647.79","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H8 Br2 F14 N2 O4 -","- C26 H8 Br2 F14 N2 O4 -","- C26 H8 Br2 F14 N2 O4 -","1","0.5","","Usta, Hakan; Kim, Choongik; Wang, Zhiming; Lu, Shaofeng; Huang, Hui; Facchetti, Antonio; Marks, Tobin J.","Anthracenedicarboximide-based semiconductors for air-stable, n-channel organic thin-film transistors: materials design, synthesis, and structural characterization","Journal of Materials Chemistry","2012","22","10","4459","","10.1039/c1jm14713g","","","0.71073","MoKα","","0.0497","0.0334","","","0.0692","0.0732","","","","","","0.967","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207380","5.5811","0.0004","8.4397","0.0007","20.1209","0.0014","90.954","0.006","91.204","0.006","93.579","0.007","945.54","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 F14 N4 O4 -","- C42 H24 F14 N4 O4 -","- C42 H24 F14 N4 O4 -","1","0.5","","Usta, Hakan; Kim, Choongik; Wang, Zhiming; Lu, Shaofeng; Huang, Hui; Facchetti, Antonio; Marks, Tobin J.","Anthracenedicarboximide-based semiconductors for air-stable, n-channel organic thin-film transistors: materials design, synthesis, and structural characterization","Journal of Materials Chemistry","2012","22","10","4459","","10.1039/c1jm14713g","","","0.71073","MoKα","","0.3874","0.0799","","","0.127","0.177","","","","","","0.907","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207381","16.759","0.005","4.4914","0.0014","18.515","0.007","90","","114.283","0.005","90","","1270.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 N2 -","- C30 H34 Cl2 N2 -","- C60 H68 Cl4 N4 -","2","0.5","","Zhao, Guangyao; Dong, Huanli; Zhao, Huaping; Jiang, Lang; Zhang, Xiaotao; Tan, Jiahui; Meng, Qing; Hu, Wenping","Substitution effect on molecular packing and transistor performance of indolo[3,2-b]carbazole derivatives","Journal of Materials Chemistry","2012","22","10","4409","","10.1039/c1jm14891e","","","0.71073","MoKα","","0.0616","0.0558","","","0.1155","0.1185","","","","","","1.193","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207382","13.125","0.003","5.6381","0.0011","8.0541","0.0016","90","","96.23","0.03","90","","592.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 -","- C18 H12 N2 -","- C36 H24 N4 -","2","0.5","","Zhao, Guangyao; Dong, Huanli; Zhao, Huaping; Jiang, Lang; Zhang, Xiaotao; Tan, Jiahui; Meng, Qing; Hu, Wenping","Substitution effect on molecular packing and transistor performance of indolo[3,2-b]carbazole derivatives","Journal of Materials Chemistry","2012","22","10","4409","","10.1039/c1jm14891e","","","0.71073","MoKα","","0.0418","0.0365","","","0.0981","0.1023","","","","","","1.075","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207383","14.73","0.003","5.8026","0.0012","7.6541","0.0015","90","","100.39","0.03","90","","643.5","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl2 N2 -","- C18 H10 Cl2 N2 -","- C36 H20 Cl4 N4 -","2","0.5","","Zhao, Guangyao; Dong, Huanli; Zhao, Huaping; Jiang, Lang; Zhang, Xiaotao; Tan, Jiahui; Meng, Qing; Hu, Wenping","Substitution effect on molecular packing and transistor performance of indolo[3,2-b]carbazole derivatives","Journal of Materials Chemistry","2012","22","10","4409","","10.1039/c1jm14891e","","","0.71073","MoKα","","0.0319","0.0293","","","0.0899","0.0912","","","","","","1.121","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207498","8.9605","0.0002","10.9189","0.0003","14.3701","0.0004","68.122","0.001","84.327","0.002","85.734","0.002","1297.23","0.06","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C23 H22 Cl2 N2 O6 S3 -","- C23.003 H22 Cl2.006 N2 O6 S3 -","- C46.006 H44 Cl4.012 N4 O12 S6 -","2","1","","Bolduc, Andréanne; Dufresne, Stéphane; Skene, W. G.","Chemical doping of EDOT azomethine derivatives: insight into the oxidative and hydrolytic stability","Journal of Materials Chemistry","2012","22","11","5053","","10.1039/c2jm14248a","","","1.54178","CuKα","","0.0895","0.0674","","","0.1864","0.2004","","","","","","1.077","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207499","9.9129","0.0008","31.483","0.002","18.6483","0.0014","90","","105.132","0.002","90","","5618.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O S4 -","- C30 H28 N2 O S4 -","- C240 H224 N16 O8 S32 -","8","2","","Chen, Dugang; Zhong, Cheng; Dong, Xiaohu; Liu, Zhihong; Qin, Jingui","A new building block, bis(thiophene vinyl)-pyrimidine, for constructing excellent two-photon absorption materials: synthesis, crystal structure and properties","Journal of Materials Chemistry","2012","22","10","4343","","10.1039/c2jm14766a","","","0.71073","MoKα","","0.1105","0.0734","","","0.181","0.201","","","","","","1.043","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207500","21.295","0.002","16.3989","0.0019","9.7404","0.0011","90","","98.263","0.002","90","","3366.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Cl2 N -","- C45 H33 Cl2 N -","- C180 H132 Cl8 N4 -","4","1","","Zhao, Zujin; Chan, Carrie Y. K.; Chen, Shuming; Deng, Chunmei; Lam, Jacky W. Y.; Jim, Cathy K. W.; Hong, Yuning; Lu, Ping; Chang, Zhengfeng; Chen, Xiaopeng; Lu, Ping; Kwok, Hoi Sing; Qiu, Huayu; Tang, Ben Zhong","Using tetraphenylethene and carbazole to create efficient luminophores with aggregation-induced emission, high thermal stability, and good hole-transporting property","Journal of Materials Chemistry","2012","22","10","4527","","10.1039/c2jm14914a","","","0.71073","MoKα","","0.0886","0.0683","","","0.1637","0.1743","","","","","","1.045","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207501","13.0466","0.0003","7.5537","0.0002","23.8222","0.0006","90","","91.002","0.001","90","","2347.32","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HB364","","","- C26 H30 N4 S -","- C26 H30 N4 S -","- C104 H120 N16 S4 -","4","1","","Ojala, Antti; Bürckstümmer, Hannah; Hwang, Jaehyung; Graf, Katja; von Vacano, Bernhard; Meerholz, Klaus; Erk, Peter; Würthner, Frank","Planar, bulk and hybrid merocyanine/C60 heterojunction devices: a case study on thin film morphology and photovoltaic performance","Journal of Materials Chemistry","2012","22","10","4473","","10.1039/c2jm14927c","","","1.54178","CuKα","","0.035","0.034","","","0.093","0.094","","","","","","1.033","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207502","6.732","0.01","7.648","0.013","13.372","0.019","90","","94.23","0.06","90","","686.6","1.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Cl2 N2 O2 -","- C18 H6 Cl2 N2 O2 -","- C36 H12 Cl4 N4 O4 -","2","0.5","","Nishida, Jun-ichi; Deno, Hironori; Ichimura, Satoru; Nakagawa, Tomohiro; Yamashita, Yoshiro","Preparation, physical properties and n-type FET characteristics of substituted diindenopyrazinediones and bis(dicyanomethylene) derivatives","Journal of Materials Chemistry","2012","22","10","4483","","10.1039/c2jm14955a","","","0.71075","MoKα","","","0.0572","","","","0.1448","","","","","","1.064","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207503","6.838","0.009","7.76","0.01","13.38","0.013","90","","92.92","0.05","90","","709.1","1.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Br2 N2 O2 -","- C18 H6 Br2 N2 O2 -","- C36 H12 Br4 N4 O4 -","2","0.5","","Nishida, Jun-ichi; Deno, Hironori; Ichimura, Satoru; Nakagawa, Tomohiro; Yamashita, Yoshiro","Preparation, physical properties and n-type FET characteristics of substituted diindenopyrazinediones and bis(dicyanomethylene) derivatives","Journal of Materials Chemistry","2012","22","10","4483","","10.1039/c2jm14955a","","","0.71075","MoKα","","","0.0364","","","","0.065","","","","","","0.873","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207504","11.241","0.005","20.08","0.008","10.684","0.005","90","","90","","90","","2411.6","1.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H20 N2 O2 S3 -","- C28 H20 N2 O2 S3 -","- C112 H80 N8 O8 S12 -","4","1","","Chen, Shangjun; Yang, Yuheng; Wu, Yue; Tian, He; Zhu, Weihong","Multi-addressable photochromic terarylene containing benzo[b]thiophene-1,1-dioxide unit as ethene bridge: multifunctional molecular logic gates on unimolecular platform","Journal of Materials Chemistry","2012","22","12","5486","","10.1039/c2jm14973g","","","0.71073","MoKα","","0.037","0.0315","","","0.077","0.0811","","","","","","1.054","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207505","13.8921","0.001","15.1742","0.0012","35.456","0.003","88.906","0.006","79.711","0.005","84.143","0.005","7315.6","1","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H52 Si2 -","- C44 H52 Si2 -","- C352 H416 Si16 -","8","4","","Zhang, Lei; Walker, Bright; Liu, Feng; Colella, Nicholas S.; Mannsfeld, Stefan C. B.; Watkins, James J.; Nguyen, Thuc-Quyen; Briseno, Alejandro L.","Triisopropylsilylethynyl-functionalized dibenzo[def,mno]chrysene: a solution-processed small molecule for bulk heterojunction solar cells","Journal of Materials Chemistry","2012","22","10","4266","","10.1039/c2jm14998b","","","1.54178","CuKα","","0.179","0.1081","","","0.2499","0.2877","","","","","","1.04","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207506","10.9857","0.0008","15.0354","0.0008","46.669","0.003","90","","90.149","0.002","90","","7708.5","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","E-2-tricyanovinyl-3-n-hexyl-5-(4-(bis(4-n-butylphenyl)amino)- 2-methoxystyryl)-thiophene","E-2-tricyanovinyl-3-n-hexyl-5- [4-{bis(4-n-butylphenyl)amino}-2-methoxystyryl]-thiophene","","- C44 H48 N4 O S -","- C44 H48 N4 O S -","- C352 H384 N32 O8 S8 -","8","1","","Getmanenko, Yulia A.; Hales, Joel M.; Balu, Mihaela; Fu, Jie; Zojer, Egbert; Kwon, Ohyun; Mendez, Jeffrey; Thayumanavan, S.; Walker, Gregory; Zhang, Qing; Bunge, Scott D.; Brédas, Jean-Luc; Hagan, David J.; Van Stryland, Eric W.; Barlow, Stephen; Marder, Seth R.","Characterisation of a dipolar chromophore with third-harmonic generation applications in the near-IR","Journal of Materials Chemistry","2012","22","10","4371","","10.1039/c2jm15599k","","","0.71073","MoKα","","0.0587","0.0426","","","0.1266","0.143","","","","","","0.99","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207507","12.57","0.001","12.57","0.001","35.496","0.002","90","","90","","120","","4857.1","0.6","122.4","0.5","122.4","0.5","","","","","","","","5","R -3 :H","-R 3","148","N,N',N''-tris(3-methylpentyl)triazatriangulenium tetrafluoroborate","","","- C37 H48 B F4 N3 -","- C37 H48 B F3.99 N3 -","- C222 H288 B6 F23.94 N18 -","6","0.333333","","Sørensen, Thomas Just; Hildebrandt, Christoffer B.; Elm, Jonas; Andreasen, Jens W.; Madsen, Anders Ø.; Westerlund, Fredrik; Laursen, Bo W.","Large area, soft crystalline thin films of N,N′,N′′-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice","Journal of Materials Chemistry","2012","22","11","4797","","10.1039/c2jm15954f","","x-ray","0.71073","MoKα","","0.125","0.1003","","","0.3425","0.3734","","","","","","1.563","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207508","5.9625","0.0011","9.3712","0.0018","12.051","0.002","75.207","0.003","88.706","0.003","80.057","0.003","641.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I4 N -","- C24 H8 F8 I4 N -","- C24 H8 F8 I4 N -","1","0.5","","Gao, Hai Yue; Shen, Qian Jin; Zhao, Xiao Ran; Yan, Xiao Qing; Pang, Xue; Jin, Wei Jun","Phosphorescent co-crystal assembled by 1,4-diiodotetrafluorobenzene with carbazole based on C‒I⋯π halogen bonding","Journal of Materials Chemistry","2012","22","12","5336","","10.1039/c2jm16257a","","","0.71073","MoKα","","0.041","0.0325","","","0.0746","0.0789","","","","","","1.018","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207509","10.463","0.002","11.737","0.002","12.856","0.003","91.16","0.03","105.66","0.03","114.76","0.03","1364.3","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N5 S2 -","- C26 H23 N5 S2 -","- C52 H46 N10 S4 -","2","1","","Qiao, Yali; Zhang, Jing; Xu, Wei; Zhu, Daoben","Incorporation of pyrrole to oligothiophene-based quinoids endcapped with dicyanomethylene: a new class of solution processable n-channel organic semiconductors for air-stable organic field-effect transistors","Journal of Materials Chemistry","2012","22","12","5706","","10.1039/c2jm16700j","","","0.71073","MoKα","","0.0736","0.0676","","","0.1911","0.1971","","","","","","1.059","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207698","8.9454","0.0007","9.0406","0.0007","12.7473","0.001","90","","90","","90","","1030.9","0.14","223","2","223","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- H4 Li O7 P V -","- H4 Li O7 P V -","- H32 Li8 O56 P8 V8 -","8","","","Shahul Hameed, A.; Nagarathinam, Mangayarkarasi; Reddy, M. V.; Chowdari, B. V. R.; Vittal, Jagadese J.","Synthesis and electrochemical studies of layer-structured metastable αI-LiVOPO4","Journal of Materials Chemistry","2012","22","15","7206","","10.1039/c2jm00062h","","","0.71073","MoKα","","0.0252","0.025","","","0.0679","0.0681","","","","","","1.175","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207699","9.759","0.004","16.442","0.007","12.446","0.005","90","","110.435","0.011","90","","1871.4","1.3","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","Choline BScB","2-hydroxy-N,N,N-trimethylethanaminium 4,4'-dioxo-4H, 4'H-2,2'-spirobi[benzo[d][1,3,2]dioxaborinin]-2-uide","","- C38 H30 B2 N2 O14 -","- C38 H30 B2 N2 O14 -","- C76 H60 B4 N4 O28 -","2","1","","Shah, Faiz Ullah; Glavatskih, Sergei; Dean, Pamela M.; MacFarlane, Douglas R.; Forsyth, Maria; Antzutkin, Oleg N.","Halogen-free chelated orthoborate ionic liquids and organic ionic plastic crystals","Journal of Materials Chemistry","2012","22","14","6928","","10.1039/c2jm12657e","","","0.71073","MoKα","","0.1708","0.0741","","","0.178","0.2325","","","","","","0.968","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207700","12.6085","0.0012","13.1762","0.0013","17.001","0.0016","84.885","0.002","85.729","0.002","82.363","0.002","2782.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H46 Cl3 Ir N6 S3 -","- C64 H46 Cl3 Ir N6 S3 -","- C128 H92 Cl6 Ir2 N12 S6 -","2","1","","Yang, Xiaolong; Zhao, Yongbiao; Zhang, Xinwen; Li, Rui; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Ma, Dongge; Wong, Wai-Yeung; Zhao, Xiang; Ren, Aimin; Wang, Lixiang; Hou, Xun","Thiazole-based metallophosphors of iridium with balanced carrier injection/transporting features and their two-colour WOLEDs fabricated by both vacuum deposition and solution processing-vacuum deposition hybrid strategy","Journal of Materials Chemistry","2012","22","15","7136","","10.1039/c2jm14712b","","","0.71073","MoKα","","0.0726","0.0474","","","0.1129","0.1259","","","","","","1.008","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207701","23.61","0.01","28.05","0.01","32","0.01","67.835","0.003","70.115","0.003","68.953","0.003","17796","11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H117 N8 O51 S4 -","- C216 H117 N8 O51 S4 -","- C432 H234 N16 O102 S8 -","2","1","","Hammond, Scott R.; Sinness, Jessica; Dubbury, Sara; Firestone, Kimberly A.; Benedict, Jason B.; Wawrzak, Zdzislaw; Clot, Olivier; Reid, Philip J.; Dalton, Larry R.","Molecular engineering of nanoscale order in organic electro-optic glasses","Journal of Materials Chemistry","2012","22","14","6752","","10.1039/c2jm14915j","","","0.71","synchrotron","","0.2022","0.1849","","","0.4721","0.4991","","","","","","2.169","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207702","10.411","0.0014","17.316","0.002","24.493","0.003","90","","97.918","0.002","90","","4373.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Li4 N4 O4 -","- C52 H40 Li4 N4 O4 -","- C208 H160 Li16 N16 O16 -","4","1","","Kathirgamanathan, Poopathy; Surendrakumar, Sivagnanasundram; Antipan-Lara, Juan; Ravichandran, Seenivasagam; Chan, Y. F.; Arkley, Vincent; Ganeshamurugan, Subramanium; Kumaraverl, Muttulingham; Paramswara, Gnanamoly; Partheepan, Arumugam; Reddy, Vanga R.; Bailey, Daniel; Blake, Alexander J.","Novel lithium Schiff-base cluster complexes as electron injectors: synthesis, crystal structure, thin film characterisation and their performance in OLEDs","Journal of Materials Chemistry","2012","22","13","6104","","10.1039/c2jm15114f","","","0.71073","MoKα","","0.0632","0.0349","","","0.0755","0.0861","","","","","","0.99","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207703","9.5021","0.0008","18.5086","0.0015","24.385","0.002","90","","90","","90","","4288.6","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H60 Si2 -","- C52 H60 Si2 -","- C208 H240 Si8 -","4","1","","Zhang, Jingjing; Sarrafpour, Syena; Haas, Terry E.; Müller, Peter; Thomas, Samuel W.","Structure, photophysics, and photooxidation of crowded diethynyltetracenes","Journal of Materials Chemistry","2012","22","13","6182","","10.1039/c2jm16173g","","","0.71073","MoKα","","0.046","0.0364","","","0.0831","0.0889","","","","","","1.036","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207704","7.0225","0.0015","11.456","0.003","22.004","0.006","101.509","0.007","96.474","0.007","104.936","0.005","1650.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H32 O2 -","- C48 H32 O2 -","- C96 H64 O4 -","2","1","","Zhang, Jingjing; Sarrafpour, Syena; Haas, Terry E.; Müller, Peter; Thomas, Samuel W.","Structure, photophysics, and photooxidation of crowded diethynyltetracenes","Journal of Materials Chemistry","2012","22","13","6182","","10.1039/c2jm16173g","","","0.71073","MoKα","","0.0977","0.0551","","","0.131","0.1535","","","","","","1.023","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207705","16.5126","0.0007","16.5126","0.0007","24.5098","0.0014","90","","90","","120","","5787.6","0.5","293","2","293","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 Ce O7 -","- C27 H15 Ce O6 -","- C162 H90 Ce6 O36 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Liang, Jie; Xia, Wei; Xia, Dingguo; Wang, Yingxia; Lin, Jianhua; Hu, Tongliang; Chen, Qiang; Wang, Xidong; Zhao, Yusheng; Burrell, Anthony K.","Pore size-controlled gases and alcohols separation within ultramicroporous homochiral lanthanide‒organic frameworks","Journal of Materials Chemistry","2012","22","16","7813","","10.1039/c2jm16324a","","","0.71073","MoKα","","0.0652","0.0553","","","0.1479","0.1528","","","","","","1.065","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207706","16.5126","0.0007","16.5126","0.0007","24.5098","0.0014","90","","90","","120","","5787.6","0.5","293","2","293","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 Ce O7 -","- C27 H15 Ce O7 -","- C162 H90 Ce6 O42 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Liang, Jie; Xia, Wei; Xia, Dingguo; Wang, Yingxia; Lin, Jianhua; Hu, Tongliang; Chen, Qiang; Wang, Xidong; Zhao, Yusheng; Burrell, Anthony K.","Pore size-controlled gases and alcohols separation within ultramicroporous homochiral lanthanide‒organic frameworks","Journal of Materials Chemistry","2012","22","16","7813","","10.1039/c2jm16324a","","","0.71073","MoKα","","0.0794","0.0659","","","0.2041","0.2175","","","","","","1.142","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207707","10.0693","0.0015","8.4668","0.0008","10.377","0.003","90","","118.938","0.007","90","","774.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 K O9 S2 Sm -","- H2 K O9 S2 Sm -","- H8 K4 O36 S8 Sm4 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0219","0.021","","","0.0542","0.0548","","","","","","1.078","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207708","10.084","0.01","8.429","0.008","10.363","0.015","90","","119.023","0.016","90","","770.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 Eu K O9 S2 -","- Eu H2 K O9 S2 -","- Eu4 H8 K4 O36 S8 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.041","0.0375","","","0.0858","0.0871","","","","","","1.021","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207709","10.129","0.005","8.391","0.003","10.357","0.007","90","","119.152","0.006","90","","768.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 Gd K N0 O9 S2 -","- Gd H2 K O9 S2 -","- Gd4 H8 K4 O36 S8 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0237","0.0225","","","0.0569","0.0577","","","","","","1.128","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207710","10.128","0.003","8.3268","0.0011","10.344","0.005","90","","119.305","0.016","90","","760.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 K O9 S2 Tb -","- H2 K O9 S2 Tb -","- H8 K4 O36 S8 Tb4 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0197","0.0189","","","0.047","0.0474","","","","","","1.124","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207711","10.107","0.004","8.29","0.003","10.306","0.005","90","","119.318","0.003","90","","752.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0 H2 Dy K O9 S2 -","- Dy H2 K O9 S2 -","- Dy4 H8 K4 O36 S8 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0195","0.0188","","","0.048","0.0482","","","","","","1.26","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207712","10.079","0.004","8.257","0.003","10.28","0.005","90","","119.285","0.005","90","","746.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H2 Ho K O9 S2 -","- H2 Ho K O9 S2 -","- H8 Ho4 K4 O36 S8 -","4","1","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0289","0.0243","","","0.0904","0.1338","","","","","","0.801","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207713","10.0682","0.0012","8.2344","0.0008","10.2663","0.0012","90","","119.382","0.01","90","","741.65","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Er4 H8 K4 O36 S8 -","- Er4 H8 K4 O36 S8 -","- Er4 H8 K4 O36 S8 -","1","0.25","","Zhang, Huabin; Zhang, Mingjian; Tian, Chongbin; Li, Ning; Lin, Ping; Li, Zhihua; Du, Shaowu","An effective method for the synthesis of 3D inorganic Ln(iii)‒K(i) sulfate open frameworks with unusually high thermal stability: in situ generation of sulfate anions","Journal of Materials Chemistry","2012","22","14","6831","","10.1039/c2jm16779d","","","0.71073","MoKα","","0.0343","0.0341","","","0.0896","0.0896","","","","","","1.245","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207714","23.169","0.0014","8.6022","0.0005","8.0337","0.0005","90","","90","","90","","1601.15","0.17","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E)-2-(5-(nitroimino)-4,5-dihydro-1H-tetrazol-1-yl)acetic acid hydrate","","- C3 H6 N6 O5 -","- C3 H6 N6 O5 -","- C24 H48 N48 O40 -","8","1","","Joo, Young-Hyuk; Gao, Haixiang; Parrish, Damon A.; Cho, Soo Gyeong; Goh, Eun Mee; Shreeve, Jean'ne M.","Energetic salts based on nitroiminotetrazole-containing acetic acid","Journal of Materials Chemistry","2012","22","13","6123","","10.1039/c2jm30322a","","","0.71073","MoKα","","0.036","0.0332","","","0.0927","0.0954","","","","","","1.032","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207715","12.4884","0.0007","5.0947","0.0003","17.4942","0.001","90","","99.941","0.001","90","","1096.35","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-tetrazol-1-yl)acetic acid","","- C3 H4 N4 O2 -","- C3 H4 N4 O2 -","- C24 H32 N32 O16 -","8","2","","Joo, Young-Hyuk; Gao, Haixiang; Parrish, Damon A.; Cho, Soo Gyeong; Goh, Eun Mee; Shreeve, Jean'ne M.","Energetic salts based on nitroiminotetrazole-containing acetic acid","Journal of Materials Chemistry","2012","22","13","6123","","10.1039/c2jm30322a","","","0.71073","MoKα","","0.0416","0.0332","","","0.0835","0.0891","","","","","","1.032","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207716","5.4438","0.0008","16.02","0.002","17.071","0.003","90","","92.374","0.002","90","","1487.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(4-amino-4H-1,2,4-triazol-1-ium) ((E)-4-(carboxylatomethyl)-5- (nitroimino)-4,5-dihydrotetrazol-1-ide)","","- C7 H12 N14 O4 -","- C7 H12 N14 O4 -","- C28 H48 N56 O16 -","4","1","","Joo, Young-Hyuk; Gao, Haixiang; Parrish, Damon A.; Cho, Soo Gyeong; Goh, Eun Mee; Shreeve, Jean'ne M.","Energetic salts based on nitroiminotetrazole-containing acetic acid","Journal of Materials Chemistry","2012","22","13","6123","","10.1039/c2jm30322a","","","0.71073","MoKα","","0.0486","0.0354","","","0.089","0.0968","","","","","","1.051","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207717","4.12","0.03","11.09","0.11","52.8","0.6","90","","90","","90","","2412","4","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","_C6-DBTDT","_C6-DBTDT","","- C28 H32 S3 -","- C28 H32 S3 -","- C112 H128 S12 -","4","0.5","","Miyata, Yasuo; Yoshikawa, Eiji; Minari, Takeo; Tsukagoshi, Kazuhito; Yamaguchi, Shigehiro","High-performance organic field-effect transistors based on dihexyl-substituted dibenzo[d,d′]thieno[3,2-b;4,5-b′]dithiophene","Journal of Materials Chemistry","2012","22","16","7715","","10.1039/c2jm30840a","","","0.7107","MoKα","","0.1328","0.1186","","","0.3177","0.3325","","","","","","1.519","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207900","18.7594","0.0009","18.7594","","15.4559","0.0011","90","","90","","120","","4710.5","0.4","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H36 Eu N7 O6 -","- C48 H36 Eu N7 O6 -","- C192 H144 Eu4 N28 O24 -","4","0.333333","","Yan, Cheng; Li, Kang; Wei, Shi-Chao; Wang, Hai-Ping; Fu, Lei; Pan, Mei; Su, Cheng-Yong","Lanthanide homometallic and d‒f heterometallic MOFs from the same tripodal ligand: structural comparison, one photon (OP) vs. two photon (TP) luminescence and selective guest adsorption behavior","Journal of Materials Chemistry","2012","22","19","9846","","10.1039/c2jm00001f","","","0.71073","MoKα","","0.1054","0.0625","","","0.1656","0.2013","","","","","","1.069","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207901","13.072","0.001","14.325","0.001","16.928","0.002","96.764","0.002","112.235","0.012","93.165","0.005","2896.5","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H120 Cl4 Eu2 N18 O21 Zn2 -","- C112 H108 Cl4 Eu2 N18 O21 Zn2 -","- C112 H108 Cl4 Eu2 N18 O21 Zn2 -","1","0.5","","Yan, Cheng; Li, Kang; Wei, Shi-Chao; Wang, Hai-Ping; Fu, Lei; Pan, Mei; Su, Cheng-Yong","Lanthanide homometallic and d‒f heterometallic MOFs from the same tripodal ligand: structural comparison, one photon (OP) vs. two photon (TP) luminescence and selective guest adsorption behavior","Journal of Materials Chemistry","2012","22","19","9846","","10.1039/c2jm00001f","","","0.71073","MoKα","","0.1605","0.0975","","","0.2179","0.2618","","","","","","1.064","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207902","10.3673","0.0005","14.631","0.0008","9.1018","0.0005","90","","105.698","0.003","90","","1329.1","0.12","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N6 O2 -","- C12 H16 N6 O2 -","- C48 H64 N24 O8 -","4","1","","Bohlender, Carmen; Wolfram, Martin; Goerls, Helmar; Imhof, Wolfgang; Menzel, Roberto; Baumgaertel, Anja; Schubert, Ulrich S.; Mueller, Ulrike; Frigge, Martina; Schnabelrauch, Matthias; Wyrwa, Ralf; Schiller, Alexander","Light-triggered NO release from a nanofibrous non-woven","Journal of Materials Chemistry","2012","22","18","8785","","10.1039/c2jm15410b","","","0.71073","MoKα","","0.0758","0.0426","","","0.0952","0.1098","","","","","","0.956","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207903","11.4171","0.0007","11.8541","0.0009","12.1504","0.0009","81.797","0.004","73.957","0.005","75.363","0.005","1524.4","0.19","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N6 O2 -","- C16 H16 N6 O2 -","- C64 H64 N24 O8 -","4","2","","Bohlender, Carmen; Wolfram, Martin; Goerls, Helmar; Imhof, Wolfgang; Menzel, Roberto; Baumgaertel, Anja; Schubert, Ulrich S.; Mueller, Ulrike; Frigge, Martina; Schnabelrauch, Matthias; Wyrwa, Ralf; Schiller, Alexander","Light-triggered NO release from a nanofibrous non-woven","Journal of Materials Chemistry","2012","22","18","8785","","10.1039/c2jm15410b","","","0.71073","MoKα","","0.123","0.0538","","","0.1061","0.1295","","","","","","0.957","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207904","8.0329","0.0007","10.7389","0.0007","12.3584","0.0009","91.756","0.006","97.964","0.004","104.935","0.005","1017.69","0.14","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Cl N8 O3 Ru -","- C18 H17 Cl N8 O3 Ru -","- C36 H34 Cl2 N16 O6 Ru2 -","2","1","","Bohlender, Carmen; Wolfram, Martin; Goerls, Helmar; Imhof, Wolfgang; Menzel, Roberto; Baumgaertel, Anja; Schubert, Ulrich S.; Mueller, Ulrike; Frigge, Martina; Schnabelrauch, Matthias; Wyrwa, Ralf; Schiller, Alexander","Light-triggered NO release from a nanofibrous non-woven","Journal of Materials Chemistry","2012","22","18","8785","","10.1039/c2jm15410b","","","0.71073","MoKα","","0.0867","0.0511","","","0.0971","0.1104","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207905","12.1","0.003","26.162","0.004","26.162","0.003","90","","90","","90","","8282","3","291","2","291","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H28 Cu4 O24 -","- C37 H28 Cu4 O24 -","- C148 H112 Cu16 O96 -","4","0.5","","Xue, Yun-Shan; He, Yabing; Ren, Shi-Bin; Yue, Yanfeng; Zhou, Le; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng; Chen, Banglin","A robust microporous metal‒organic framework constructed from a flexible organic linker for acetylene storage at ambient temperature","Journal of Materials Chemistry","2012","22","20","10195","","10.1039/c2jm15538a","","","0.71073","MoKα","","0.0627","0.0468","","","0.1129","0.12","","","","","","1.069","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207906","19.357","0.002","19.357","0.002","19.357","0.002","90","","90","","90","","7252.9","1.3","200","2","200","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cd4 Cl N32 O4 -","- C24 H8 Cd4 Cl N32 O4 -","- C72 H24 Cd12 Cl3 N96 O12 -","3","0.0625","","Biswas, Shyam; Maes, Michael; Dhakshinamoorthy, Amarajothi; Feyand, Mark; De Vos, Dirk E.; Garcia, Hermenegildo; Stock, Norbert","Fuel purification, Lewis acid and aerobic oxidation catalysis performed by a microporous Co-BTT (BTT3− = 1,3,5-benzenetristetrazolate) framework having coordinatively unsaturated sites","Journal of Materials Chemistry","2012","22","20","10200","","10.1039/c2jm15592c","","","0.71073","MoKα","","0.0548","0.0406","","","0.1007","0.1058","","","","","","1.142","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207907","18.739","0.002","18.739","0.002","18.739","0.002","90","","90","","90","","6580.2","1.2","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl Co4 N32 O4 -","- C24 H8 Cl Co4 N32 O4 -","- C72 H24 Cl3 Co12 N96 O12 -","3","0.0625","","Biswas, Shyam; Maes, Michael; Dhakshinamoorthy, Amarajothi; Feyand, Mark; De Vos, Dirk E.; Garcia, Hermenegildo; Stock, Norbert","Fuel purification, Lewis acid and aerobic oxidation catalysis performed by a microporous Co-BTT (BTT3− = 1,3,5-benzenetristetrazolate) framework having coordinatively unsaturated sites","Journal of Materials Chemistry","2012","22","20","10200","","10.1039/c2jm15592c","","","0.71073","MoKα","","0.0803","0.0782","","","0.2359","0.2379","","","","","","1.251","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207908","14.3035","0.0003","14.3035","0.0003","15.9627","0.0006","90","","90","","90","","3265.81","0.16","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H46 N4 O8 Zn -","- C32 H46 N4 O8 Zn -","- C128 H184 N16 O32 Zn4 -","4","0.5","","Huang, Qian; Cai, Jianfeng; Wu, Hui; He, Yabing; Chen, Banglin; Qian, Guodong","A robust microporous metal‒organic framework constructed from a flexible organic linker for highly selective sorption of methanol over ethanol and water","Journal of Materials Chemistry","2012","22","20","10352","","10.1039/c2jm15604k","","","0.71073","MoKα","","0.0648","0.0616","","","0.1256","0.127","","","","","","1.194","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207909","14.4835","0.0012","14.4835","","15.4118","0.0016","90","","90","","90","","3233","0.4","298","","298","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H38 N4 O6 Zn -","- C30 H38 N4 O6 Zn -","- C120 H152 N16 O24 Zn4 -","4","0.5","","Huang, Qian; Cai, Jianfeng; Wu, Hui; He, Yabing; Chen, Banglin; Qian, Guodong","A robust microporous metal‒organic framework constructed from a flexible organic linker for highly selective sorption of methanol over ethanol and water","Journal of Materials Chemistry","2012","22","20","10352","","10.1039/c2jm15604k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.11546","","4.91","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207910","16.5428","0.0004","16.5428","0.0004","24.3988","0.0015","90","","90","","120","","5782.5","0.4","296","2","296","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C27 H15 La O7 -","- C27 H15 La O7 -","- C162 H90 La6 O42 -","6","0.5","","Mu, Bin; Li, Feng; Huang, Yougui; Walton, Krista S.","Breathing effects of CO2 adsorption on a flexible 3D lanthanide metal‒organic framework","Journal of Materials Chemistry","2012","22","20","10172","","10.1039/c2jm15721g","","","1.54178","CuKα","","0.0565","0.055","","","0.1508","0.1522","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207911","10.073","0.005","34.113","0.017","6.791","0.003","90","","113.866","0.007","90","","2134","1.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ZnTBC","","","- C8 H4 N4 O2 Zn -","- C8 H4 N4 O2 Zn -","- C64 H32 N32 O16 Zn8 -","8","1","","Wei, Qiang; Yang, Dali; Larson, Toti Eric; Kinnibrugh, Tiffany L.; Zou, Ruqiang; Henson, Neil J.; Timofeeva, Tatiana; Xu, Hongwu; Zhao, Yusheng; Mattes, Benjamin R.","Kinetic hysteresis in gas adsorption behavior for a rigid MOF arising from zig-zag channel structures","Journal of Materials Chemistry","2012","22","20","10166","","10.1039/c2jm15860d","","","0.71073","MoKα","","0.1289","0.1119","","","0.2343","0.2429","","","","","","1.259","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207912","6.791","0.003","9.604","0.004","17.722","0.01","101.826","0.01","96.5","0.01","106.425","0.007","1067","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","ZnTBC","","","- C16 H8 N8 O6.3 Zn2 -","- C16 H8 N8 O6.3 Zn2 -","- C32 H16 N16 O12.6 Zn4 -","2","1","","Wei, Qiang; Yang, Dali; Larson, Toti Eric; Kinnibrugh, Tiffany L.; Zou, Ruqiang; Henson, Neil J.; Timofeeva, Tatiana; Xu, Hongwu; Zhao, Yusheng; Mattes, Benjamin R.","Kinetic hysteresis in gas adsorption behavior for a rigid MOF arising from zig-zag channel structures","Journal of Materials Chemistry","2012","22","20","10166","","10.1039/c2jm15860d","","","0.71073","MoKα","","0.1311","0.1051","","","0.2687","0.2864","","","","","","1.04","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207913","18.401","0.001","18.401","0.001","44.057","0.003","90","","90","","120","","12919","1.3","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H12.25 O14 Zn4.13 -","- C25.5 H12.255 O14 Zn4.125 -","- C306 H147.06 O168 Zn49.5 -","12","0.333333","","Yao, Qingxia; Su, Jie; Cheung, Ocean; Liu, Qingling; Hedin, Niklas; Zou, Xiaodong","Interpenetrated metal‒organic frameworks and their uptake of CO2 at relatively low pressures","Journal of Materials Chemistry","2012","22","20","10345","","10.1039/c2jm15933c","","","0.71073","MoKα","","0.1143","0.089","","","0.2153","0.2308","","","","","","1.098","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207914","18.6086","0.0008","20.2422","0.0007","20.8135","0.0007","70.421","0.003","68.955","0.003","68.031","0.004","6600.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H50 N O31.7 Zn8 -","- C75 H49 N O31.7 Zn8 -","- C150 H98 N2 O63.4 Zn16 -","2","1","","Yao, Qingxia; Su, Jie; Cheung, Ocean; Liu, Qingling; Hedin, Niklas; Zou, Xiaodong","Interpenetrated metal‒organic frameworks and their uptake of CO2 at relatively low pressures","Journal of Materials Chemistry","2012","22","20","10345","","10.1039/c2jm15933c","","","0.71073","MoKα","","0.0916","0.059","","","0.1616","0.1745","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207915","18.377","0.0006","17.3043","0.0004","17.9565","0.0005","90","","90","","90","","5710.2","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C33 H24 N O15 Zn4 -","- C33 H24 N O15 Zn4 -","- C132 H96 N4 O60 Zn16 -","4","0.5","","Yao, Qingxia; Su, Jie; Cheung, Ocean; Liu, Qingling; Hedin, Niklas; Zou, Xiaodong","Interpenetrated metal‒organic frameworks and their uptake of CO2 at relatively low pressures","Journal of Materials Chemistry","2012","22","20","10345","","10.1039/c2jm15933c","","","0.71073","MoKα","","0.0738","0.0545","","","0.1828","0.1937","","","","","","1.086","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207916","17.2914","0.0014","21.5371","0.0018","21.8259","0.0018","112.183","0.0015","98.9048","0.0015","108.721","0.0015","6766.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67.06 H46.64 B2 F24 O5.26 S4 -","- C67.056 H46.64 B2 F24 O5.264 S4 -","- C268.224 H186.56 B8 F96 O21.056 S16 -","4","2","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0884","0.0485","","","0.1226","0.1484","","","","","","1.055","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207917","19.019","0.004","8.5496","0.0016","18.248","0.003","90","","106.965","0.004","90","","2838.1","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 B O4 S4 -","- C34 H30 B O4 S4 -","- C136 H120 B4 O16 S16 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0468","0.0345","","","0.0865","0.0933","","","","","","1.02","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207918","19.171","0.003","8.6743","0.0015","18.273","0.003","90","","106.829","0.003","90","","2908.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 B O4 S4 -","- C34 H30 B O4 S4 -","- C136 H120 B4 O16 S16 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0713","0.0434","","","0.1034","0.1166","","","","","","1.024","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207919","27.3177","0.0007","21.9323","0.0006","18.558","0.0005","90","","116.751","0.0004","90","","9928.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B O4 S4 -","- C38 H38 B O4 S4 -","- C456 H456 B12 O48 S48 -","12","1.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0389","0.0297","","","0.0819","0.0869","","","","","","1.012","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207920","9.3401","0.0002","22.0917","0.0006","16.6081","0.0004","90","","92.7623","0.0004","90","","3422.91","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B O4 S4 -","- C38 H38 B O4 S4 -","- C152 H152 B4 O16 S16 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals","Journal of Materials Chemistry","2012","22","17","8245","","10.1039/c2jm16001c","","","0.71073","MoKα","","0.0524","0.04","","","0.1097","0.1214","","","","","","1.022","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207921","6.5672","0.0004","8.5035","0.0006","9.6637","0.0006","90","","101.351","0.004","90","","529.11","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 Ba3 F2 O11 -","- B6 Ba3 F2 O11 -","- B12 Ba6 F4 O22 -","2","1","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Su, Xin; Zhang, Fangfang","A novel deep UV nonlinear optical crystal Ba3B6O11F2, with a new fundamental building block, B6O14 group","Journal of Materials Chemistry","2012","22","19","9665","","10.1039/c2jm16058g","","","0.71073","MoKα","","0.0263","0.0259","","","0.0632","0.0637","","","","","","1.056","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207922","31.748","0.001","9.875","0.001","7.028","0.002","90","","91.53","0.04","90","","2202.6","0.7","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 O5 V -","- C30 H18 O5 V -","- C120 H72 O20 V4 -","4","0.5","","Djerdj, Igor; Popović, Jasminka; Stare, Jernej; Ambrožič, Gabriela; Škapin, Srečo D.; Kozlevčar, Bojan; Pajić, Damir; Jagličić, Zvonko; Orel, Zorica Crnjak","Nanocrystalline hybrid inorganic‒organic one-dimensional chain systems tailored with 2- and 3-phenyl ring monocarboxylic acids","Journal of Materials Chemistry","2012","22","20","10255","","10.1039/c2jm16213j","powder diffraction","","1.54056","CuKα","","","","","","","","","10.7891","","","","","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207923","10.0875","0.0015","25.41","0.004","6.831","0.002","90","","90","","90","","1750.9","0.6","293","","293","","","","","","","","","4","P 21 c n","P -2n 2a","33","","","","- C22 H14 O5 V -","- C22 H14 O5 V -","- C88 H56 O20 V4 -","4","1","","Djerdj, Igor; Popović, Jasminka; Stare, Jernej; Ambrožič, Gabriela; Škapin, Srečo D.; Kozlevčar, Bojan; Pajić, Damir; Jagličić, Zvonko; Orel, Zorica Crnjak","Nanocrystalline hybrid inorganic‒organic one-dimensional chain systems tailored with 2- and 3-phenyl ring monocarboxylic acids","Journal of Materials Chemistry","2012","22","20","10255","","10.1039/c2jm16213j","powder diffraction","","1.54056","CuKα","","","","","","","","","8.1267","","","","","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207924","12.335","0.004","12.335","0.004","5.265","0.003","90","0.005","90","0.005","90","0.005","801.1","0.6","100","2","100","2","","","","","","","synthesis as described","6","P 41","P 4w","76","","","","- C5 H9 Co N O6 S -","- C5 H7 Co N O5.5 S -","- C20 H28 Co4 N4 O22 S4 -","4","1","","Rossin, Andrea; Di Credico, Barbara; Giambastiani, Giuliano; Peruzzini, Maurizio; Pescitelli, Gennaro; Reginato, Gianna; Borfecchia, Elisa; Gianolio, Diego; Lamberti, Carlo; Bordiga, Silvia","Synthesis, characterization and CO2 uptake of a chiral Co(ii) metal‒organic framework containing a thiazolidine-based spacer","Journal of Materials Chemistry","2012","22","20","10335","","10.1039/c2jm16236a","","x-ray","0.71069","MoKα","","0.0333","0.028","","","0.061","0.0627","","","","","","0.996","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207925","23.5793","0.0002","18.6265","0.0001","30.1227","0.0002","90","","93.223","0.001","90","","13209","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C320 H140 N12 O136 Zn32 -","- C80 H35 N3 O34 Zn8 -","- C320 H140 N12 O136 Zn32 -","4","1","","Perry IV, John J.; Feng, Patrick L.; Meek, Scott T.; Leong, Kirsty; Doty, F. Patrick; Allendorf, Mark D.","Connecting structure with function in metal‒organic frameworks to design novel photo- and radioluminescent materials","Journal of Materials Chemistry","2012","22","20","10235","","10.1039/c2jm16627e","","","1.54184","CuKα","","0.1354","0.1318","","","0.3614","0.363","","","","","","1.111","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207926","12.4451","0.0004","20.361","0.0006","7.0378","0.0003","90","","101.38","0.004","90","","1748.28","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 4,6-Dimethoxy-3-phenyl-1H-indene-2-carboxylate","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.1526","0.0421","","","0.0776","0.0919","","","","","","0.744","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207927","12.466","0.004","19.438","0.006","7.173","0.003","90","","98.53","0.04","90","","1718.9","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 4,6-Dimethoxy-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.3231","0.1246","","","0.3005","0.3417","","","","","","0.838","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207928","31.289","0.005","8.588","0.005","27.715","0.005","90","","102.051","0.005","90","","7283","5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 O8 -","- C42 H40 O8 -","- C336 H320 O64 -","8","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.2308","0.0403","","","0.059","0.077","","","","","","0.624","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207929","11.3555","0.0006","13.2852","0.0007","15.0996","0.0008","114.224","0.005","98.647","0.004","107.133","0.004","1886.6","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H44 O9 -","- C43 H44 O8.5 -","- C86 H88 O17 -","2","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.1482","0.0554","","","0.1342","0.1524","","","","","","0.802","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207930","15.7773","0.0006","11.5001","0.0004","20.4105","0.0008","90","","90.792","0.003","90","","3702.9","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ethyl 4,5,6-Trimethoxy-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C21 H20 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.0695","0.0448","","","0.1179","0.1254","","","","","","1.027","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207931","19.246","0.003","23.211","0.005","17.018","0.002","90","","90","","90","","7602","2","293","2","293","2","","","","","","","","3","P n c a","-P 2a 2n","60","","","","- C44 H44 O10 -","- C44 H44 O10 -","- C352 H352 O80 -","8","1","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.3901","0.0552","","","0.0664","0.1096","","","","","","0.652","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207932","11.914","","18.91","","20.176","","63.59","","82.53","","74.28","","3918.62","","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 O10 -","- C44 H44 O10 -","- C176 H176 O40 -","4","2","","Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore","Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives","Journal of Materials Chemistry","2012","22","19","9611","","10.1039/c2jm16790e","","","0.71073","MoKα","","0.1392","0.05","","","0.1121","0.1291","","","","","","0.799","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207933","13.9165","0.0002","12.2744","0.0002","14.511","0.0002","90","","100.017","0.002","90","","2440.94","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 N6 O2 S2 -","- C60 H48 N6 O2 S2 -","- C120 H96 N12 O4 S4 -","2","0.5","","Ting, Hao-Chun; Chen, You-Ming; You, Hong-Wei; Hung, Wen-Yi; Lin, Sheng-Hsun; Chaskar, Atul; Chou, Shu-Hua; Chi, Yun; Liu, Rai-Hsung; Wong, Ken-Tsung","Indolo[3,2-b]carbazole/benzimidazole hybrid bipolar host materials for highly efficient red, yellow, and green phosphorescent organic light emitting diodes","Journal of Materials Chemistry","2012","22","17","8399","","10.1039/c2jm30207a","","","1.54178","CuKα","","0.073","0.0573","","","0.1689","0.1784","","","","","","1.256","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207934","9.3415","0.0006","10.0537","0.0007","11.5245","0.0009","106.117","0.007","99.662","0.006","93.529","0.005","1018.35","0.13","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H36 N6 -","- C56 H36 N6 -","- C56 H36 N6 -","1","0.5","","Ting, Hao-Chun; Chen, You-Ming; You, Hong-Wei; Hung, Wen-Yi; Lin, Sheng-Hsun; Chaskar, Atul; Chou, Shu-Hua; Chi, Yun; Liu, Rai-Hsung; Wong, Ken-Tsung","Indolo[3,2-b]carbazole/benzimidazole hybrid bipolar host materials for highly efficient red, yellow, and green phosphorescent organic light emitting diodes","Journal of Materials Chemistry","2012","22","17","8399","","10.1039/c2jm30207a","","","1.54178","CuKα","","0.0617","0.047","","","0.1332","0.1538","","","","","","1.001","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207935","18.037","0.002","24.308","0.003","6.9817","0.0009","90","","90","","90","","3061.1","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C29 H28 Er N O10 -","- C26 H15 Er O9 -","- C104 H60 Er4 O36 -","4","0.5","","Dang, Song; Zhang, Jian-Han; Sun, Zhong-Ming","Tunable emission based on lanthanide(iii) metal‒organic frameworks: an alternative approach to white light","Journal of Materials Chemistry","2012","22","18","8868","","10.1039/c2jm30389b","","","0.71073","MoKα","","0.0274","0.0253","","","0.0616","0.0625","","","","","","1.077","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207936","18.0366","0.001","24.1755","0.0013","6.9866","0.0004","90","","90","","90","","3046.5","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C29 H28 N O10 Y -","- C26 H15 O9 Y -","- C104 H60 O36 Y4 -","4","0.5","","Dang, Song; Zhang, Jian-Han; Sun, Zhong-Ming","Tunable emission based on lanthanide(iii) metal‒organic frameworks: an alternative approach to white light","Journal of Materials Chemistry","2012","22","18","8868","","10.1039/c2jm30389b","","","0.71073","MoKα","","0.056","0.0489","","","0.1217","0.1255","","","","","","1.084","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207937","11.8193","0.0013","11.9602","0.0013","12.5652","0.0014","101.79","0.001","92.784","0.001","112.516","0.001","1590.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 Cd N5 O9 -","- C30 H35 Cd N5 O9 -","- C60 H70 Cd2 N10 O18 -","2","1","","Chen, Cheng-Xia; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Encapsulation of Ln3+ hydrate species for tunable luminescent materials based on a porous Cd(ii)-MOF","Journal of Materials Chemistry","2012","22","18","9027","","10.1039/c2jm30419h","","","0.71073","MoKα","","0.0372","0.0351","","","0.0929","0.0949","","","","","","1.064","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207938","8.9084","0.0018","7.2253","0.0018","9.172","0.003","90","","95.55","0.03","90","","587.6","0.3","383","2","383","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H11 Cl N O4 -","- C9 H11 Cl N O4 -","- C18 H22 Cl2 N2 O8 -","2","0.5","","Zhang, Yi; Awaga, Kunio; Yoshikawa, Hirofumi; Xiong, Ren-Gen","Ferroelastic phase transition and dielectric anomalies in 2,4,6-trimethylanilinium perchlorate","Journal of Materials Chemistry","2012","22","19","9841","","10.1039/c2jm30581j","","","0.71073","MoKα","","0.0806","0.063","","","0.213","0.2401","","","","","","0.97","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207939","7.1581","0.0014","8.5937","0.0017","9.0642","0.0018","88.74","0.03","79.19","0.03","87.02","0.03","546.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Cl N O4 -","- C9 H14 Cl N O4 -","- C18 H28 Cl2 N2 O8 -","2","1","","Zhang, Yi; Awaga, Kunio; Yoshikawa, Hirofumi; Xiong, Ren-Gen","Ferroelastic phase transition and dielectric anomalies in 2,4,6-trimethylanilinium perchlorate","Journal of Materials Chemistry","2012","22","19","9841","","10.1039/c2jm30581j","","","0.71073","MoKα","","0.0979","0.079","","","0.2001","0.2151","","","","","","1.076","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207940","5.0378","0.0001","5.2691","0.0001","8.8985","0.0002","90","","90","","90","","236.208","0.008","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Mg Mo O6 Te -","- Mg Mo O6 Te -","- Mg2 Mo2 O12 Te2 -","2","0.5","","Zhang, Junjie; Zhang, Zhonghan; Sun, Youxuan; Zhang, Chengqian; Zhang, Shaojun; Liu, Yang; Tao, Xutang","MgTeMoO6: A neutral layered material showing strong second-harmonic generation","Journal of Materials Chemistry","2012","22","19","9921","","10.1039/c2jm30953j","","","0.71073","MoKα","","0.015","0.0149","","","0.0372","0.0373","","","","","","1.043","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208026","12.3979","0.0002","19.2597","0.0004","13.7144","0.0003","90","","94.1952","0.001","90","","3265.95","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 F6 N6 Os P2 -","- C32 H30 F6 N6 Os P2 -","- C128 H120 F24 N24 Os4 P8 -","4","1","","Lin, Cheng-Huei; Hsu, Che-Wei; Liao, Jia-Ling; Cheng, Yi-Ming; Chi, Yun; Lin, Tsung-Yi; Chung, Min-Wen; Chou, Pi-Tai; Lee, Gene-Hsiang; Chang, Chih-Hao; Shih, Chin-Yao; Ho, Chi-Lung","Phosphorescent OLEDs assembled using Os(ii) phosphors and a bipolar host material consisting of both carbazole and dibenzophosphole oxide","Journal of Materials Chemistry","2012","22","21","10684","","10.1039/c2jm16674g","","","0.71073","MoKα","","0.0646","0.043","","","0.1104","0.1173","","","","","","1.068","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208027","8.1571","0.0004","16.5407","0.0009","33.1095","0.0018","90","","90","","90","","4467.3","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N O P -","- C30 H20 N O P -","- C240 H160 N8 O8 P8 -","8","1","","Lin, Cheng-Huei; Hsu, Che-Wei; Liao, Jia-Ling; Cheng, Yi-Ming; Chi, Yun; Lin, Tsung-Yi; Chung, Min-Wen; Chou, Pi-Tai; Lee, Gene-Hsiang; Chang, Chih-Hao; Shih, Chin-Yao; Ho, Chi-Lung","Phosphorescent OLEDs assembled using Os(ii) phosphors and a bipolar host material consisting of both carbazole and dibenzophosphole oxide","Journal of Materials Chemistry","2012","22","21","10684","","10.1039/c2jm16674g","","","0.71073","MoKα","","0.0779","0.0548","","","0.1239","0.1413","","","","","","1.112","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208028","3.8836","0.0011","18.718","0.005","10.383","0.003","90","","94.058","0.005","90","","752.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,13-dichloropentacene","","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C44 H24 Cl4 -","2","0.5","","Li, Jie; Wang, Mao; Ren, Shendong; Gao, Xike; Hong, Wei; Li, Hongxiang; Zhu, Daoben","High performance organic thin film transistor based on pentacene derivative: 6,13-dichloropentacene","Journal of Materials Chemistry","2012","22","21","10496","","10.1039/c2jm16871e","","","0.71073","MoKα","","0.0669","0.048","","","0.1044","0.1127","","","","","","1.09","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208029","10.089","0.005","22.846","0.005","16.127","0.005","90","0.005","100.922","0.005","90","0.005","3650","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 F10 Ir N8 P -","- C37 H24 F10 Ir N8 P -","- C148 H96 F40 Ir4 N32 P4 -","4","1","","Shan, Guo-Gang; Li, Hai-Bin; Zhu, Dong-Xia; Su, Zhong-Min; Liao, Yi","Intramolecular π-stacking in cationic iridium(iii) complexes with a triazole‒pyridine type ancillary ligand: synthesis, photophysics, electrochemistry properties and piezochromic behavior","Journal of Materials Chemistry","2012","22","25","12736","","10.1039/c2jm30480e","","","0.71069","MoKα","","0.092","0.0408","","","0.0484","0.0568","","","","","","0.986","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208030","14.169","0.005","15.705","0.005","17.649","0.005","109.763","0.005","90.435","0.005","91.581","0.005","3694","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H30 F6 Ir N6 P -","- C41 H30 F6 Ir N6 P -","- C164 H120 F24 Ir4 N24 P4 -","4","2","","Shan, Guo-Gang; Li, Hai-Bin; Zhu, Dong-Xia; Su, Zhong-Min; Liao, Yi","Intramolecular π-stacking in cationic iridium(iii) complexes with a triazole‒pyridine type ancillary ligand: synthesis, photophysics, electrochemistry properties and piezochromic behavior","Journal of Materials Chemistry","2012","22","25","12736","","10.1039/c2jm30480e","","","0.71069","MoKα","","0.1134","0.0565","","","0.1232","0.1565","","","","","","1.008","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208031","19.348","0.018","31.17","0.03","9.522","0.008","90","","90","","90","","5743","9","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C52 H54 Cd Cl2 N4 O23 -","- C52 H40 Cd Cl2 N4 O23 -","- C208 H160 Cd4 Cl8 N16 O92 -","4","0.25","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0923","0.0708","","","0.1794","0.1949","","","","","","1.089","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208032","16.1787","0.0012","9.8431","0.0005","18.6902","0.0013","90","","114.982","0.002","90","","2697.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 Cd Cl2 N2 O8.5 -","- C26 H20 Cd Cl2 N2 O8.5 -","- C104 H80 Cd4 Cl8 N8 O34 -","4","1","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0744","0.062","","","0.1763","0.1886","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208033","16.753","0.008","8.84","0.004","18.01","0.009","90","","110.511","0.008","90","","2498","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cd I2 N2 O4 -","- C26 H20 Cd I2 N2 O4 -","- C104 H80 Cd4 I8 N8 O16 -","4","1","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0503","0.0411","","","0.1116","0.1218","","","","","","1.04","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208034","16.687","0.005","10.02","0.002","17.913","0.005","90","","115.571","0.003","90","","2701.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cd N8 O7 -","- C26 H26 Cd N8 O7 -","- C104 H104 Cd4 N32 O28 -","4","1","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0503","0.0388","","","0.1026","0.1101","","","","","","1.106","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208035","16.478","0.006","9.716","0.003","18.084","0.007","90","","114.075","0.004","90","","2643.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cd N4 O4 S2 -","- C28 H20 Cd N4 O4 S2 -","- C112 H80 Cd4 N16 O16 S8 -","4","1","","Sun, Jian-Ke; Wang, Peng; Yao, Qing-Xia; Chen, Yong-Juan; Li, Zhao-Hui; Zhang, Yong-Fan; Wu, Li-Ming; Zhang, Jie","Solvent- and anion-controlled photochromism of viologen-based metal‒organic hybrid materials","Journal of Materials Chemistry","2012","22","24","12212","","10.1039/c2jm30558e","","","0.71073","MoKα","","0.0695","0.048","","","0.1207","0.1366","","","","","","0.98","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208036","6.02","0.0005","12.7722","0.0011","13.1612","0.0011","118.829","0.001","90.609","0.001","91.687","0.001","885.79","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N3 O11 Tm -","- C9 H13 N3 O11 Tm -","- C18 H26 N6 O22 Tm2 -","2","1","","Pan, Yingyi; Ma, Deyun; Liu, Huimin; Wu, Hao; He, Dehua; Li, Yingwei","Uncoordinated carbonyl groups of MOFs as anchoring sites for the preparation of highly active Pd nano-catalysts","Journal of Materials Chemistry","2012","22","21","10834","","10.1039/c2jm30867c","","","0.71073","MoKα","","0.0466","0.0402","","","0.0987","0.1036","","","","","","1.048","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208037","5.7875","0.0001","25.372","0.0005","9.6688","0.0002","90","","103.188","0.002","90","","1382.33","0.05","150","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Fe N S -","- C17 H13 Fe N S -","- C68 H52 Fe4 N4 S4 -","4","1","","Kaur, Paramjit; Kaur, Mandeep; Depotter, Griet; Van Cleuvenbergen, Stijn; Asselberghs, Inge; Clays, Koen; Singh, Kamaljit","Thermally stable ferrocenyl “push‒pull” chromophores with tailorable and switchable second-order non-linear optical response: synthesis and structure‒property relationship","Journal of Materials Chemistry","2012","22","21","10597","","10.1039/c2jm31387a","","","0.71073","MoKα","","0.0261","0.0233","","","0.0552","0.0561","","","","","","1.084","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208038","7.3555","0.0004","11.6373","0.0007","11.6538","0.0006","85.685","0.004","81.702","0.004","75.203","0.005","953.6","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 Fe N2 -","- C23 H22 Fe N2 -","- C46 H44 Fe2 N4 -","2","1","","Kaur, Paramjit; Kaur, Mandeep; Depotter, Griet; Van Cleuvenbergen, Stijn; Asselberghs, Inge; Clays, Koen; Singh, Kamaljit","Thermally stable ferrocenyl “push‒pull” chromophores with tailorable and switchable second-order non-linear optical response: synthesis and structure‒property relationship","Journal of Materials Chemistry","2012","22","21","10597","","10.1039/c2jm31387a","","","0.71073","MoKα","","0.0477","0.0415","","","0.1419","0.176","","","","","","1.056","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208039","4.9047","0.0019","10.001","0.004","14.952","0.006","80.849","0.005","84.181","0.005","78.46","0.006","707.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","ammonium 3,4,5-trinitro-1H-pyrazol-1-olate ethyl acetate","","- C7 H12 N6 O9 -","- C7 H12 N6 O9 -","- C14 H24 N12 O18 -","2","1","","Zhang, Yanqiang; Parrish, Damon A.; Shreeve, Jean'ne M.","Synthesis and properties of 3,4,5-trinitropyrazole-1-ol and its energetic salts","Journal of Materials Chemistry","2012","22","25","12659","","10.1039/c2jm31535a","","","0.71073","MoKα","","0.0528","0.0441","","","0.1178","0.1243","","","","","","1.056","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208132","2.91081","","2.91081","","10.55029","","90","","90","","120","","77.415","","298","","298","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Potassium Lanthanum Titanate","","- Mg Mo N2 -","- Mg Mo N2 -","- Mg2 Mo2 N4 -","2","0.0833333","","Wang, Liangbiao; Tang, Kaibin; Zhu, Yongchun; Li, Qianwen; Zhu, Baichuan; Wang, LianCheng; Si, Lulu; Qian, Yitai","Solid state synthesis of a new ternary nitride MgMoN2 nanosheets and micromeshes","Journal of Materials Chemistry","2012","22","29","14559","","10.1039/c2jm30844d","powder diffraction","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208133","14.3679","0.001","12.3365","0.0009","27.768","0.002","90","","101.536","0.004","90","","4822.4","0.6","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C264 H216 O24 -","12","3","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.1029","0.0515","","","0.1173","0.1477","","","","","","1.008","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208134","8.1278","0.0004","9.4651","0.0004","10.7576","0.0005","102.711","0.002","102.324","0.002","91.986","0.002","785.8","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C44 H36 O4 -","2","1","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.0432","0.0374","","","0.096","0.1003","","","","","","1.053","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208135","14.9138","0.0013","15.253","0.0012","15.136","0.0014","90","","118.815","0.004","90","","3016.8","0.5","100","0.1","100","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 -","- C22 H18 -","- C176 H144 -","8","1","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.0839","0.0609","","","0.1515","0.1648","","","","","","1.066","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208136","5.8708","0.0002","7.6845","0.0003","28.2976","0.0009","90","","90","","90","","1276.62","0.08","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 O -","- C19 H12 O -","- C76 H48 O4 -","4","1","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.0684","0.0389","","","0.0824","0.108","","","","","","1.026","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208137","21.584","0.003","25.772","0.004","40.899","0.004","90","","90","","90","","22751","5","120","","120","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C129 H151.5 Cl3.5 Ir2 N4 -","- C129.12 H151.6 Cl3.52 Ir2 N4 -","- C1032.96 H1212.8 Cl28.16 Ir16 N32 -","8","","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.0842","0.0482","","","0.1093","0.1332","","","","","","1.259","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208138","21.975","0.002","25.478","0.002","40.842","0.004","90","","90","","90","","22867","4","120","2","120","","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C129 H147.5 Cl3.5 F4 Ir2 N4 -","- C129 H147.5 Cl3.5 F4 Ir2 N4 -","- C1032 H1180 Cl28 F32 Ir16 N32 -","8","","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.1293","0.0514","","","0.1111","0.1385","","","","","","1.443","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208139","16.2668","0.0008","19.4756","0.0009","22.8218","0.0011","105.98","0.006","101.103","0.006","91.648","0.007","6794.9","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C151 H198 Cl4 Ir2 N4 O4 -","- C150.75 H186 Cl4 Ir2 N4 O4 -","- C301.5 H372 Cl8 Ir4 N8 O8 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.0519","0.0324","","","0.0788","0.0888","","","","","","1.029","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208140","12.4152","0.0005","24.9244","0.0012","16.7445","0.0005","90","","91.503","0.011","90","","5179.7","0.4","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C122 H144 Ir2 N6 O2 -","- C122 H144 Ir2 N6 O2 -","- C244 H288 Ir4 N12 O4 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","","0.71073","MoKα","","0.0954","0.051","","","0.1093","0.1337","","","","","","0.664","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208141","12.5082","0.0007","24.97","0.0013","16.8684","0.001","90","","91.23","0.03","90","","5267.3","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C122 H140 F4 Ir2 N6 O2 -","- C122 H138 F4 Ir2 N6 O2 -","- C244 H276 F8 Ir4 N12 O4 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","","0.71073","MoKα","","0.0429","0.0339","","","0.0729","0.0767","","","","","","1.051","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208142","12.11","0.003","16.493","0.004","21.339","0.005","82.45","0.03","89.83","0.03","81.81","0.03","4181.5","1.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H126 Ir N3 O3 -","- C95.24 H114 Ir N3 O3 -","- C190.48 H228 Ir2 N6 O6 -","2","1","","M'hamedi, Ahmed; Batsanov, Andrei S.; Fox, Mark A.; Bryce, Martin R.; Abdullah, Khalid; Al-Attar, Hameed A.; Monkman, Andrew P.","Dinuclear iridium(iii) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs","Journal of Materials Chemistry","2012","22","27","13529","","10.1039/c2jm31143g","","x-ray","0.71073","MoKα","K-L~3~","0.1354","0.0688","","","0.1354","0.1558","","","","","","0.884","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208143","10.1895","0.001","11.4764","0.0016","17.763","0.003","102.487","0.005","96.931","0.008","101.36","0.008","1959.2","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","2","","Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.","Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes","Journal of Materials Chemistry","2012","22","26","13318","","10.1039/c2jm31314f","","","0.71073","MoKα","","0.1911","0.1076","","","0.2051","0.243","","","","","","1.074","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208144","11.2472","0.0004","13.4462","0.0004","30.0363","0.0011","90","","90.567","0.001","90","","4542.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C232 H200 N8 O16 -","8","2","","Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.","Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes","Journal of Materials Chemistry","2012","22","26","13318","","10.1039/c2jm31314f","","","0.71073","MoKα","","0.1307","0.0843","","","0.1386","0.1605","","","","","","1.167","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208145","17.1248","0.0005","9.6815","0.0002","12.9988","0.0003","90","","110.727","0.002","90","","2015.63","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.","Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes","Journal of Materials Chemistry","2012","22","26","13318","","10.1039/c2jm31314f","","","0.71073","MoKα","","0.0684","0.0482","","","0.1038","0.1141","","","","","","1.052","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208146","10","0.002","18.679","0.004","15.789","0.004","90","","91.675","0.002","90","","2948","1.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N -","- C20 H17 N -","- C160 H136 N8 -","8","2","","Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.","Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes","Journal of Materials Chemistry","2012","22","26","13318","","10.1039/c2jm31314f","","","0.6889","synchrotron","","0.0732","0.0584","","","0.1633","0.1707","","","","","","1.094","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208147","7.3261","0.0002","29.785","0.0009","9.8773","0.0003","90","","109.281","0.0016","90","","2034.41","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 N4 O -","- C26 H23 N4 O -","- C104 H92 N16 O4 -","4","1","","Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin","Tuning the sensitivity of fluorophore‒nitroxide radicals","Journal of Materials Chemistry","2012","22","26","13260","","10.1039/c2jm31390a","","","0.71073","MoKα","","0.0968","0.0508","","0.0672","0.0627","0.0627","","","","","","1.0905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208148","7.4598","0.0002","29.3972","0.0009","10.0132","0.0003","90","","109.821","0.0016","90","","2065.78","0.11","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H23 N4 O2 -","- C26 H23 N4 O2 -","- C104 H92 N16 O8 -","4","1","","Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin","Tuning the sensitivity of fluorophore‒nitroxide radicals","Journal of Materials Chemistry","2012","22","26","13260","","10.1039/c2jm31390a","","","0.71073","MoKα","","0.0651","0.0447","","0.0589","0.0561","0.0561","","","","","","1.0804","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208149","11.9981","0.0019","7.3161","0.0012","23.079","0.003","90","","90","","90","","2025.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N2 O -","- C10 H11 Cl N2 O -","- C80 H88 Cl8 N16 O8 -","8","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.135","0.0428","","","0.0823","0.1024","","","","","","0.971","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208150","6.162","0.0006","9.223","0.0009","19.067","0.0019","93.895","0.002","94.406","0.002","104.332","0.002","1042.54","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H29 B F4 N2 O -","- C19 H29 B F4 N2 O -","- C38 H58 B2 F8 N4 O2 -","2","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.1172","0.0619","","","0.1841","0.2181","","","","","","0.994","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208151","4.9991","0.0004","9.5975","0.0008","24.98","0.002","90","","90","","90","","1198.51","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N2 O5 Re -","- C10 H11 N2 O5 Re -","- C40 H44 N8 O20 Re4 -","4","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.0219","0.0199","","","0.0467","0.0475","","","","","","0.996","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208152","6.344","0.004","10.275","0.006","11.844","0.007","70.91","0.01","83.266","0.012","89.319","0.012","724.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 F3 N2 O4 S -","- C11 H11 F3 N2 O4 S -","- C22 H22 F6 N4 O8 S2 -","2","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.1514","0.0641","","","0.14","0.1681","","","","","","0.979","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208153","9.9935","0.0018","14.007","0.003","18.935","0.003","103.999","0.004","91.508","0.004","96.957","0.004","2548.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C102 H108 N12 O24 S6 -","6","3","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.2109","0.0614","","","0.0913","0.1153","","","","","","0.922","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208154","15.48852","0.00016","15.48852","0.00016","15.48852","0.00016","90","","90","","90","","3715.61","0.07","298","","298","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ca15 N30 O10 Si20 -","- Ca15 N30 O9.99996 Si20 -","- Ca60 N120 O39.9998 Si80 -","4","0.166667","","Park, Woon Bae; Singh, Satendra Pal; Yoon, Chulsoo; Sohn, Kee-Sun","Eu2+ luminescence from 5 different crystallographic sites in a novel red phosphor, Ca15Si20O10N30:Eu2+","Journal of Materials Chemistry","2012","22","28","14068","","10.1039/c2jm32032k","powder diffraction","","1.5406","CuKα","","","","","","","","","4.4607","","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208411","8.8902","0.0003","38.4841","0.0012","10.2135","0.0003","90","","103.613","0.001","90","","3396.19","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 N4 O12 S4 -","- C28 H40 N4 O12 S4 -","- C112 H160 N16 O48 S16 -","4","1","","Delahaye, Emilie; Göbel, Ronald; Löbbicke, Ruben; Guillot, Régis; Sieber, Christoph; Taubert, Andreas","Silica ionogels for proton transport","Journal of Materials Chemistry","2012","22","33","17140","","10.1039/c2jm00037g","","x-ray","0.71073","MoKα","","0.0729","0.0433","","","0.0971","0.11","","","","","","1.011","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208412","19.346","0.002","24.081","0.003","14.2543","0.0015","90","","90","","90","","6640.7","1.3","273","2","273","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C10 H4 Ca N3 O5 -","- C10 H4 Ca N3 O5 -","- C160 H64 Ca16 N48 O80 -","16","","","Mallick, Arijit; Schön, Eva-Maria; Panda, Tamas; Sreenivas, K.; Díaz, David Díaz; Banerjee, Rahul","Fine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels","Journal of Materials Chemistry","2012","22","30","14951","","10.1039/c2jm30866e","","","0.71073","MoKα","","0.0642","0.0567","","","0.1671","0.1728","","","","","","1.083","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208413","10.242","0.005","19.254","0.009","24.7","0.012","84.455","0.007","79.483","0.008","89.85","0.007","4766","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H55 Fe N6 O3 Se3 -","- C51.5 H55 Fe N6 O3 Se3 -","- C206 H220 Fe4 N24 O12 Se12 -","4","2","","Akhtar, Masood; Akhtar, Javeed; Malik, Mohammad Azad; Tuna, Floriana; Helliwell, Madeleine; O'Brien, Paul","Deposition of iron selenide nanocrystals and thin films from tris(N,N-diethyl-N′-naphthoylselenoureato)iron(iii)","Journal of Materials Chemistry","2012","22","30","14970","","10.1039/c2jm31291c","","","0.71073","MoKα","","0.1218","0.1038","","","0.2402","0.249","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208414","10.6549","0.0012","14.5638","0.0016","16.0435","0.0017","99.783","0.002","102.396","0.002","101.834","0.002","2319.5","0.4","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O9 Zn1.5 -","- C32 H26 N2 O9 Zn1.5 -","- C64 H52 N4 O18 Zn3 -","2","1","","Guo, Min; Sun, Zhong-Ming","Solvents control over the degree of interpenetration in metal-organic frameworks and their high sensitivities for detecting nitrobenzene at ppm level","Journal of Materials Chemistry","2012","22","31","15939","","10.1039/c2jm32066e","","","0.71073","MoKα","","0.1274","0.0931","","","0.2923","0.3245","","","","","","1.153","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208415","8.981","0.0005","12.2471","0.0007","15.8888","0.0009","76.827","0.001","75.953","0.001","79.384","0.001","1635.31","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O9 Zn1.5 -","- C32 H26 N2 O9 Zn1.5 -","- C64 H52 N4 O18 Zn3 -","2","1","","Guo, Min; Sun, Zhong-Ming","Solvents control over the degree of interpenetration in metal-organic frameworks and their high sensitivities for detecting nitrobenzene at ppm level","Journal of Materials Chemistry","2012","22","31","15939","","10.1039/c2jm32066e","","","0.71073","MoKα","","0.0776","0.0636","","","0.1955","0.2114","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208416","11.9556","0.001","5.7003","0.0004","15.8568","0.0019","90","","119.774","0.007","90","","937.99","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(acetonitrile)bis(acetylacetonato)vanadium(III) tetrafluoroborate","bis(acetonitrile)bis(acetylacetonato)vanadium(III) tetrafluoroborate","","- C14 H20 B F4 N2 O4 V -","- C14 H20 B F4 N2 O4 V -","- C28 H40 B2 F8 N4 O8 V2 -","2","0.5","","Kohl, Julia; Wiedemann, Dennis; Nakhal, Suliman; Bottke, Patrick; Ferro, Noel; Bredow, Thomas; Kemnitz, Erhard; Wilkening, Martin; Heitjans, Paul; Lerch, Martin","Synthesis of ternary transition metal fluorides Li3MF6via a sol‒gel route as candidates for cathode materials in lithium-ion batteries","Journal of Materials Chemistry","2012","22","31","15819","","10.1039/c2jm32133e","","x-ray","0.71073","MoKα","","0.0633","0.045","","","0.1044","0.1093","","","","","","0.98","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208417","29.187","0.004","13.3717","0.0018","15.048","0.002","90","","109.333","0.002","90","","5541.8","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Br2 N2 O2 Pt -","- C28 H34 Br2 N2 O2 Pt -","- C224 H272 Br16 N16 O16 Pt8 -","8","1","","Zhang, Jie; Zhao, Fangchao; Zhu, Xunjin; Wong, Wai-Kwok; Ma, Dongge; Wong, Wai-Yeung","New phosphorescent platinum(ii) Schiff base complexes for PHOLED applications","Journal of Materials Chemistry","2012","22","32","16448","","10.1039/c2jm32266h","","","0.71073","MoKα","","0.0461","0.0417","","","0.1052","0.1076","","","","","","1.069","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208418","22.369","0.005","8.74","0.005","8.395","0.005","90","0.005","94.859","0.005","90","0.005","1635.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N4 O8 -","- C34 H50 N4 O8 -","- C68 H100 N8 O16 -","2","0.5","","Yu, Zhipeng; Duan, Yaya; Cheng, Longhuai; Han, Zhili; Zheng, Zheng; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Aggregation induced emission in the rotatable molecules: the essential role of molecular interaction","Journal of Materials Chemistry","2012","22","33","16927","","10.1039/c2jm32405a","","","0.71069","MoKα","","0.038","0.0363","","","0.1356","0.1398","","","","","","1.259","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208419","20.005","0.005","7.828","0.005","20.366","0.005","90","0.005","102.714","0.005","90","0.005","3111","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N6 -","- C33 H45 N6 -","- C132 H180 N24 -","4","1","","Yu, Zhipeng; Duan, Yaya; Cheng, Longhuai; Han, Zhili; Zheng, Zheng; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Aggregation induced emission in the rotatable molecules: the essential role of molecular interaction","Journal of Materials Chemistry","2012","22","33","16927","","10.1039/c2jm32405a","","","0.71069","MoKα","","0.0838","0.0533","","","0.1378","0.1728","","","","","","0.862","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208420","9.189","0.003","11.486","0.004","17.918","0.006","80.253","0.006","81.343","0.005","86.819","0.005","1841.7","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 La N O13 -","- C35 H32 La N O13 -","- C70 H64 La2 N2 O26 -","2","1","","Dang, Song; Ma, En; Sun, Zhong-Ming; Zhang, Hongjie","A layer-structured Eu-MOF as a highly selective fluorescent probe for Fe3+ detection through a cation-exchange approach","Journal of Materials Chemistry","2012","22","33","16920","","10.1039/c2jm32661b","","","0.71073","MoKα","","0.0582","0.0481","","","0.1374","0.1481","","","","","","1.076","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208421","9.3193","0.0011","11.8459","0.0014","17.601","0.002","82.597","0.002","82.102","0.002","87.194","0.002","1907.6","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 N O13 Y -","- C35 H34 N O13 Y -","- C70 H68 N2 O26 Y2 -","2","1","","Dang, Song; Ma, En; Sun, Zhong-Ming; Zhang, Hongjie","A layer-structured Eu-MOF as a highly selective fluorescent probe for Fe3+ detection through a cation-exchange approach","Journal of Materials Chemistry","2012","22","33","16920","","10.1039/c2jm32661b","","","0.71073","MoKα","","0.1182","0.071","","","0.2108","0.2436","","","","","","1.05","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208422","4.5346","0.0013","13.251","0.004","22.712","0.006","90","","90.203","0.005","90","","1364.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 I6 N2 O2 Pb2 -","- C12 H18 I6 N2 O2 Pb2 -","- C24 H36 I12 N4 O4 Pb4 -","2","0.5","","Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Sun, Jing; Xu, Zhong-Ning; Guo, Guo-Cong; Huang, Jin-Shun","A novel inorganic‒organic hybrid for detection of nitrite anions with extremely high sensitivity and selectivity","Journal of Materials Chemistry","2012","22","33","16742","","10.1039/c2jm32830e","","","0.71073","MoKα","","0.0685","0.0422","","","0.0738","0.0767","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208423","11.4398","0.0002","13.2955","0.0002","26.2483","0.0004","90","","90","","90","","3992.31","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 Co2 N8 O11 -","- C36 H42 Co2 N8 O11 -","- C144 H168 Co8 N32 O44 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0369","0.0289","","","0.0679","0.0691","","","","","","1.003","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208424","11.3503","0.0003","13.1581","0.0003","26.213","0.0006","90","","90","","90","","3914.87","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Co2 N4 O9 -","- C24 H18 Co2 N4 O9 -","- C96 H72 Co8 N16 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0567","0.0479","","","0.1572","0.1624","","","","","","1.173","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208425","11.249","0.004","13.238","0.004","26.05","0.009","90","","90","","90","","3879","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Co2 N6 O9 -","- C28 H24 Co2 N6 O9 -","- C112 H96 Co8 N24 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0954","0.0856","","","0.2186","0.2343","","","","","","1.174","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208426","11.3749","0.0004","13.3596","0.0005","25.9691","0.0011","90","","90","","90","","3946.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Co2 N4 O9 -","- C30 H30 Co2 N4 O9 -","- C120 H120 Co8 N16 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0509","0.046","","","0.1375","0.1433","","","","","","1.144","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208427","11.379","0.003","13.386","0.004","25.904","0.008","90","","90","","90","","3946","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H18 Co2 N4 O10 -","- C32 H18 Co2 N4 O10 -","- C128 H72 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0743","0.0671","","","0.1995","0.2176","","","","","","1.056","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208428","11.269","0.0017","13.382","0.002","25.592","0.004","90","","90","","90","","3859.3","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Co2 N4 O9.5 -","- C26 H23 Co2 N4 O9.5 -","- C104 H92 Co8 N16 O38 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0338","0.0326","","","0.1043","0.1052","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208429","11.4777","0.0002","13.3164","0.0003","26.0307","0.0004","90","","90","","90","","3978.57","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Co2 N4 O10 -","- C32 H28 Co2 N4 O10 -","- C128 H112 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0532","0.0479","","","0.1665","0.1725","","","","","","1.178","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208430","11.4659","0.0003","13.2732","0.0003","26.1201","0.0012","90","","90","","90","","3975.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Co2 N4 O10 -","- C32 H28 Co2 N4 O10 -","- C128 H112 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0737","0.0567","","","0.1789","0.1964","","","","","","1.156","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208431","19.822","0.007","20.141","0.007","6.596","0.003","90","","102.289","0.005","90","","2573","1.7","153","","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Ge S2 -","- C32 H22 Ge S2 -","- C128 H88 Ge4 S8 -","4","0.5","","Kondo, Ryosuke; Yasuda, Takuma; Yang, Yu Seok; Kim, Jun Yun; Adachi, Chihaya","Highly luminescent π-conjugated dithienometalloles: photophysical properties and their application in organic light-emitting diodes","Journal of Materials Chemistry","2012","22","33","16810","","10.1039/c2jm33526c","","","0.71075","MoKα","","","0.0439","","","","0.1065","","","","","","1","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208432","19.549","0.007","19.718","0.006","6.618","0.002","90","","101.413","0.005","90","","2500.6","1.4","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 S2 Si -","- C32 H22 S2 Si -","- C128 H88 S8 Si4 -","4","0.5","","Kondo, Ryosuke; Yasuda, Takuma; Yang, Yu Seok; Kim, Jun Yun; Adachi, Chihaya","Highly luminescent π-conjugated dithienometalloles: photophysical properties and their application in organic light-emitting diodes","Journal of Materials Chemistry","2012","22","33","16810","","10.1039/c2jm33526c","","","0.71075","MoKα","","","0.0312","","","","0.0879","","","","","","1.083","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208433","16.192","0.003","15.167","0.003","13.658","0.003","90","","96.209","0.003","90","","3334.5","1.2","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 O2 S3 -","- C20 H12 O2 S3 -","- C160 H96 O16 S24 -","8","1","","Kondo, Ryosuke; Yasuda, Takuma; Yang, Yu Seok; Kim, Jun Yun; Adachi, Chihaya","Highly luminescent π-conjugated dithienometalloles: photophysical properties and their application in organic light-emitting diodes","Journal of Materials Chemistry","2012","22","33","16810","","10.1039/c2jm33526c","","","0.71075","MoKα","","","0.0506","","","","0.1299","","","","","","1.171","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208608","5.9295","0.001","5.9295","0.001","20.79","0.004","90","","90","","120","","633.03","0.19","293","","293","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ba Cu3 H2 O10 V2 -","- Ba Cu3 H3.9996 O9.9998 V1.9998 -","- Ba3 Cu9 H11.9988 O29.9994 V5.9994 -","3","0.0833333","","Yoshida, Hiroyuki; Michiue, Yuichi; Takayama-Muromachi, Eiji; Isobe, Masaaki","β-Vesignieite BaCu3V2O8(OH)2: a structurally perfect S = 1/2 kagomé antiferromagnet","Journal of Materials Chemistry","2012","22","36","18793","","10.1039/c2jm32250a","","x-ray","0.71069","MoKα","","0.0381","0.0217","","","0.0322","0.0337","","","","1.83","1.83","1.69","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208609","24.757","0.004","7.1588","0.0013","19.353","0.004","90","","108.455","0.007","90","","3253.5","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 La O9 P3 -","- C9 H12 La O9 P3 -","- C72 H96 La8 O72 P24 -","8","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.0229","0.0208","","","0.051","0.052","","","","","","1.107","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208610","23.5921","0.0006","7.2774","0.0002","19.7125","0.0005","90","","106.176","0.001","90","","3250.43","0.15","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 La2 O21 P6 -","- C18 H28 La2 O21 P6 -","- C72 H112 La8 O84 P24 -","4","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.031","0.0226","","","0.0501","0.0535","","","","","","1.035","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208611","23.3599","0.0013","7.2198","0.0004","19.7793","0.0011","90","","106.034","0.002","90","","3206.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Ce2 O21 P6 -","- C18 H28 Ce2 O21 P6 -","- C72 H112 Ce8 O84 P24 -","4","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.0307","0.0226","","","0.0462","0.0486","","","","","","1.04","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208612","23.368","0.004","7.204","0.0011","19.745","0.003","90","","106.262","0.007","90","","3190.9","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 O21 P6 Pr2 -","- C18 H24 O21 P6 Pr2 -","- C72 H96 O84 P24 Pr8 -","4","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.0998","0.0497","","","0.1043","0.1213","","","","","","0.974","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208613","23.419","0.005","7.1793","0.0016","19.697","0.004","90","","106.65","0.014","90","","3172.8","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Nd2 O21 P6 -","- C18 H28 Nd2 O21 P6 -","- C72 H112 Nd8 O84 P24 -","4","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Gomes, Ana C.; Valente, Anabela A.; Carlos, Luís D.; Cavaleiro, José A. S.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Multi-functional metal‒organic frameworks assembled from a tripodal organic linker","Journal of Materials Chemistry","2012","22","35","18354","","10.1039/c2jm32501b","","","0.71073","MoKα","","0.0974","0.0466","","","0.0703","0.081","","","","","","0.981","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208614","27.108","0.005","17.406","0.004","17.248","0.003","90","","90","","90","","8138","3","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H56 Ba2 N4 O24 -","- C24 H56 Ba2 N4 O24 -","- C192 H448 Ba16 N32 O192 -","8","2","","Fu, Da-Wei; Zhang, Yi; Cai, Hong-Ling; Zhu, Hao-miao; Chen, Xue-yuan; Xiong, Ren-Gen","The first example of a molecule-based ferroelectric with barium cation: catena-(μ2-nitrito-O,O)-bi-aqua-(18-crown-6)-barium nitrite","Journal of Materials Chemistry","2012","22","34","17525","","10.1039/c2jm32662k","","","0.71073","MoKα","","0.0278","0.025","","","0.0607","0.0671","","","","","","1.143","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208615","17.573","0.004","17.51","0.004","6.8305","0.0014","90","","90","","90","","2101.8","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Ba N2 O12 -","- C12 H28 Ba N2 O12 -","- C48 H112 Ba4 N8 O48 -","4","0.5","","Fu, Da-Wei; Zhang, Yi; Cai, Hong-Ling; Zhu, Hao-miao; Chen, Xue-yuan; Xiong, Ren-Gen","The first example of a molecule-based ferroelectric with barium cation: catena-(μ2-nitrito-O,O)-bi-aqua-(18-crown-6)-barium nitrite","Journal of Materials Chemistry","2012","22","34","17525","","10.1039/c2jm32662k","","","0.71073","MoKα","","0.0737","0.058","","","0.142","0.1541","","","","","","1.144","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208616","10.292","0.004","7.552","0.003","12.557","0.005","90","","90.007","0.004","90","","976","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O13 P2 Pb V2 -","- O13 P2 Pb V2 -","- O52 P8 Pb4 V8 -","4","1","","Chen, Yan; Liu, Tao; He, Cheng; Duan, Chunying","Mild hydrothermal synthesis, structure and characterization of the vanadyl phosphate hydrate Pb(VOPO4)2·3H2O: the formation of spin dimers in a three dimensional crystal structure","Journal of Materials Chemistry","2012","22","37","19872","","10.1039/c2jm32976j","","","0.71073","MoKα","","0.0366","0.0316","","","0.07","0.0722","","","","","","1.044","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208617","9.7136","0.0019","13.824","0.003","11.003","0.002","90","","90","","90","","1477.5","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O18 P3 Pb3 V3 -","- O18 P3 Pb3 V3 -","- O72 P12 Pb12 V12 -","4","0.5","","Chen, Yan; Liu, Tao; He, Cheng; Duan, Chunying","Mild hydrothermal synthesis, structure and characterization of the vanadyl phosphate hydrate Pb(VOPO4)2·3H2O: the formation of spin dimers in a three dimensional crystal structure","Journal of Materials Chemistry","2012","22","37","19872","","10.1039/c2jm32976j","","","0.71073","MoKα","","0.0545","0.0385","","","0.0801","0.0866","","","","","","1.114","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208618","7.992","0.009","15.777","0.016","3.494","0.004","90","","100.22","0.02","90","","433.6","0.8","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Gd O10 -","- B3 Cd4 Gd O10 -","- B6 Cd8 Gd2 O20 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0392","0.0383","","","0.0928","0.0932","","","","","","1.098","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208619","7.937","0.005","15.778","0.01","3.436","0.002","90","","99.972","0.01","90","","423.8","0.5","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Lu O10 -","- B3 Cd4 Lu O10 -","- B6 Cd8 Lu2 O20 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0529","0.0509","","","0.1298","0.1311","","","","","","1.032","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208620","7.9627","0.001","15.793","0.002","3.4706","0.0004","90","","100.088","0.007","90","","429.7","0.09","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Y -","- B3 Cd4 O10 Y -","- B6 Cd8 O20 Y2 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0439","0.0434","","","0.1027","0.103","","","","","","1.015","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208621","8.511","0.0015","14.954","0.003","8.4748","0.0015","90","","104.292","0.012","90","","1045.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C52 H40 N4 O4 -","2","0.5","","Xu, Zhenzhen; Liao, Qing; Wu, Yishi; Ren, Wenlu; Li, Wei; Liu, Libing; Wang, Shu; Gu, Zhanjun; Zhang, Haoli; Fu, Hongbing","Water-miscible organic J-aggregate nanoparticles as efficient two-photon fluorescent nano-probes for bio-imaging","Journal of Materials Chemistry","2012","22","34","17737","","10.1039/c2jm33081d","","","1.54186","CuKα","","0.0693","0.049","","","0.1121","0.1224","","","","","","1.081","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208622","12.764","0.001","13.065","0.0009","17.742","0.002","75.376","0.005","82.739","0.005","86.361","0.005","2838.3","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","(TTN)Mo6Br14(PhCN)3","Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro, salt with Naphthaceno[5,6-cd:11,12-c'd']bis[1,2]dithiole, compd. with benzonitrile (1:1:3)","","- C39 H23 Br14 Mo6 N3 S4 -","- C39 H23 Br14 Mo6 N3 S4 -","- C78 H46 Br28 Mo12 N6 S8 -","2","1","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0506","0.0506","","","0.1315","0.1315","","","","","","1.094","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208623","11.13","0.003","14.652","0.008","14.653","0.003","116.91","0.03","108.16","0.02","95.13","0.03","1948.3","1.5","","","","","","","","","","","","6","P -1","-P 1","2","(HMTTF)2Mo6I14(PhCN)4","Molybdate(2-), dodeca-m-iododiiodohexa-, octahedro, salt with 4H-Cyclopenta-1,3-dithiole, 2-(5,6-dihydro-4H-cyclopenta-1,3-dithiol- 2-ylidene)-5,6-dihydro-, compd. with benzonitrile (1:2:4)","","- C52 H44 I14 Mo6 N4 S8 -","- C52 H44 I14 Mo6 N4 S8 -","- C52 H44 I14 Mo6 N4 S8 -","1","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0953","0.0953","","","0.2509","0.2509","","","","","","1.122","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208624","10.414","0.004","21.711","0.007","15.958","0.005","90","","93.65","0.03","90","","3601","2","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(BO)2Mo6Br14(PhCN)3","Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro , salt with 2-(5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dioxin-2-ylidene)-5,6-dihydro- 1,3-dithiolo[4,5-b][1,4]dioxin, compd. with benzonitrile (1:2:4)","","- C48 H36 Br14 Mo6 N4 O8 S8 -","- C48 H36 Br14 Mo6 N4 O8 S8 -","- C96 H72 Br28 Mo12 N8 O16 S16 -","2","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0577","0.0577","","","0.0795","0.0795","","","","","","1.039","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208625","9.846","0.003","12.408","0.004","12.72","0.004","65.76","0.02","83.01","0.03","81.31","0.03","1397.6","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(TTC1-TTF)2Mo6Br14","Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro , salt with 1,3-Dithiole, 2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-4,5-bis(methylthio)- , compd. (1:2)","","- C20 H24 Br14 Mo6 S16 -","- C20 H24 Br14 Mo6 S16 -","- C20 H24 Br14 Mo6 S16 -","1","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0797","0.0797","","","0.1923","0.1923","","","","","","1.071","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208626","12.688","0.0008","13.9857","0.0009","14.2334","0.0009","89.64","0.001","83.243","0.001","85.746","0.001","2501.3","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","(perylene)6Mo6Br14","Molybdate(2-), dodeca-m-bromodibromohexa-, octahedro , salt with perylene, compd. (1:6)","","- C120 H72 Br14 Mo6 -","- C120 H72 Br14 Mo6 -","- C120 H72 Br14 Mo6 -","1","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.71073","MoKα","","0.0298","0.0298","","","0.075","0.075","","","","","","1.046","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208627","13.088","0.004","13.41","0.004","15.62","0.004","94.76","0.03","116.67","0.03","87.57","0.03","2441.3","1.4","133.2","","133.2","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H70 Br14 Cl2 Cu2 Mo6 N10 -","- C94 H70 Br14 Cl2 Cu2 Mo6 N10 -","- C94 H70 Br14 Cl2 Cu2 Mo6 N10 -","1","0.5","","Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro; Hagiwara, Jun; Nishimura, Kazukuni; Yamochi, Hideki; Otsuka, Akihiro; Hiramatsu, Takaaki; Shimazaki, Yuichi; Kirakci, Kaplan; Cordier, Stéphane; Perrin, Christiane","Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)","Journal of Materials Chemistry","2012","22","37","19774","","10.1039/c2jm33086e","","","0.7107","MoKα","","","0.0413","","","","0.1011","","","","","","1.15","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208628","8.9685","0.0003","10.0847","0.0003","14.7906","0.0005","105.015","0.002","95.313","0.001","90.297","0.001","1285.91","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N4 O2 -","- C30 H30 N4 O2 -","- C60 H60 N8 O4 -","2","1","","Wu, Cheng-An; Chou, Ho-Hsiu; Shih, Cheng-Hung; Wu, Fang-Iy; Cheng, Chien-Hong; Huang, Heh-Lung; Chao, Teng-Chih; Tseng, Mei-Rurng","Synthesis and physical properties of meta-terphenyloxadiazole derivatives and their application as electron transporting materials for blue phosphorescent and fluorescent devices","Journal of Materials Chemistry","2012","22","34","17792","","10.1039/c2jm33376g","","","0.71073","MoKα","","0.0456","0.0369","","","0.0997","0.1152","","","","","","1.094","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208629","10.107","0.002","10.762","0.002","11.847","0.003","76.07","0.03","73.47","0.04","62.02","0.03","1082.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cd N2 O7 -","- C25 H18 Cd N2 O7 -","- C50 H36 Cd2 N4 O14 -","2","1","","Tan, Yi; Fu, Zhiyong; Zeng, Yu; Chen, Hengjun; Liao, Shijun; Zhang, Jie; Dai, Jingcao","Highly stable photochromic crystalline material based on a close-packed layered metal‒viologen coordination polymer","Journal of Materials Chemistry","2012","22","34","17452","","10.1039/c2jm34341j","","","0.71073","MoKα","","0.0452","0.0281","","","0.065","0.0895","","","","","","1.062","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208630","18.6244","0.0004","10.2696","0.0003","8.7992","0.0002","90","","90","","90","","1682.98","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H14 N8 O3 Zn -","- C14 H14 N8 O3 Zn -","- C56 H56 N32 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0304","0.0273","","","0.0679","0.0698","","","","","","1","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208631","18.6627","0.0005","10.5533","0.0004","8.9082","0.0003","90","","90","","90","","1754.5","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H17 N7 O3 Zn -","- C15 H17 N7 O3 Zn -","- C60 H68 N28 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0655","0.0585","","","0.1406","0.1453","","","","","","1.233","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208632","18.4474","0.0007","10.6981","0.0006","8.9454","0.0004","90","","90","","90","","1765.39","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H17 N7 O3 Zn -","- C16 H17 N7 O3 Zn -","- C64 H68 N28 O12 Zn4 -","4","1","","Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian","Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly","Journal of Materials Chemistry","2012","22","37","19732","","10.1039/c2jm34506d","","","0.71073","MoKα","","0.0496","0.039","","","0.0893","0.0936","","","","","","1.042","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208633","15.665","0.001","13.512","0.0008","33.082","0.002","90","","99.933","0.001","90","","6897.4","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 Eu N10 O11 Zn2 -","- C66 H53 Br4 Eu N10 O11 Zn2 -","- C264 H212 Br16 Eu4 N40 O44 Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.1012","0.0545","","","0.1513","0.1744","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208634","15.755","0.0012","13.537","0.001","33.101","0.003","90","","99.782","0.001","90","","6957","1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 Eu0.75 N10 O11 Tb0.25 Zn2 -","- C66 H53 Br4 Eu0.75 N10 O11 Tb0.25 Zn2 -","- C264 H212 Br16 Eu3 N40 O44 Tb Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.1152","0.0601","","","0.1853","0.2174","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208635","15.68","0.0009","13.515","0.0008","33.051","0.002","90","0.009","99.786","0.008","90","0.009","6902.1","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 Eu0.5 N10 O11 Tb0.5 Zn2 -","- C66 H52 Br4 Eu0.5 N10 O11 Tb0.5 Zn2 -","- C264 H208 Br16 Eu2 N40 O44 Tb2 Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.1005","0.0517","","","0.1424","0.1638","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208636","15.676","0.002","13.514","0.0017","33.055","0.004","90","","99.803","0.002","90","","6900.3","1.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 Eu0.25 N10 O11 Tb0.75 Zn2 -","- C66 H53 Br4 Eu0.25 N10 O11 Tb0.75 Zn2 -","- C264 H212 Br16 Eu N40 O44 Tb3 Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.1149","0.0557","","","0.1512","0.1786","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208637","15.634","0.0008","13.491","0.0007","33.079","0.0018","90","0.001","99.748","0.001","90","0.001","6876.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H59 Br4 N10 O11 Tb Zn2 -","- C66 H53 Br4 N10 O11 Tb Zn2 -","- C264 H212 Br16 N40 O44 Tb4 Zn8 -","4","1","","Du, Dong-Ying; Qin, Jun-Sheng; Sun, Cheng-Xin; Wang, Xin-Long; Zhang, Shu-Ran; Shen, Ping; Li, Shun-Li; Su, Zhong-Min; Lan, Ya-Qian","Functional heterometallic coordination polymers with metalloligands as tunable luminescent crystalline materials","Journal of Materials Chemistry","2012","22","37","19673","","10.1039/c2jm34661c","","","0.71069","MoKα","","0.0927","0.0491","","","0.1355","0.1543","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208852","7.55","","10.43","","10.85","","90","","69.93","","90","","802.515","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetracalcium difluoride disilicate","","- Ca4 F2 O7 Si2 -","- Ca16 F8 O28 Si8 -","- Ca16 F8 O28 Si8 -","","","","Huang, Chien-Hao; Chan, Ting-Shan; Liu, Wei-Ren; Wang, De-Yin; Chiu, Yi-Chen; Yeh, Yao-Tsung; Chen, Teng-Ming","Crystal structure of blue‒white‒yellow color-tunable Ca4Si2O7F2:Eu2+,Mn2+ phosphor and investigation of color tunability through energy transfer for single-phase white-light near-ultraviolet LEDs","Journal of Materials Chemistry","2012","22","38","20210","","10.1039/c2jm33160h","","","","","","","","","","","","","","","","","","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208853","5.1756","0.0002","16.4142","0.0006","17.0191","0.0006","84.227","0.003","85.377","0.003","82.2","0.004","1421.9","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H66 S12 -","- C56 H66 S12 -","- C56 H66 S12 -","1","0.5","","Gentili, Denis; Di Maria, Francesca; Liscio, Fabiola; Ferlauto, Laura; Leonardi, Francesca; Maini, Lucia; Gazzano, Massimo; Milita, Silvia; Barbarella, Giovanna; Cavallini, Massimiliano","Targeting ordered oligothiophene fibers with enhanced functional properties by interplay of self-assembly and wet lithography","Journal of Materials Chemistry","2012","22","39","20852","","10.1039/c2jm33998f","","","0.71073","MoKα","","0.1301","0.0926","","","0.1635","0.1787","","","","","","1.227","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208854","6.4194","0.0013","8.268","0.0017","15.213","0.003","90","","92.69","0.03","90","","806.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C36 H28 N8 O8 -","2","0.5","","Qu, Songnan; Lu, Qipeng; Wu, Shaohang; Wang, Lijun; Liu, Xingyuan","Two dimensional directed π‒π interactions in a linear shaped bi-1,3,4-oxadiazole derivative to achieve organic single crystal with highly polarized fluorescence and amplified spontaneous emissions","Journal of Materials Chemistry","2012","22","47","24605","","10.1039/c2jm35002e","","","0.71073","MoKα","","0.058","0.0368","","","0.0916","0.0983","","","","","","1.087","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208855","8.0873","0.0016","8.1278","0.0016","9.3175","0.0019","107.15","0.03","105.03","0.03","97.99","0.03","549.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","1","0.5","","Qu, Songnan; Lu, Qipeng; Wu, Shaohang; Wang, Lijun; Liu, Xingyuan","Two dimensional directed π‒π interactions in a linear shaped bi-1,3,4-oxadiazole derivative to achieve organic single crystal with highly polarized fluorescence and amplified spontaneous emissions","Journal of Materials Chemistry","2012","22","47","24605","","10.1039/c2jm35002e","","","0.71073","MoKα","","0.0478","0.0386","","","0.1226","0.127","","","","","","1.079","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7215083","5.426","0.0005","11.6597","0.0012","6.5013","0.0007","90","","95.256","0.009","90","","409.58","0.07","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TKX50, Thomas Klapoetke 50 Year Explosive","Bishydroxylammonium 5,5-1N-oxidotetrazolate","","- C2 H8 N10 O4 -","- C2 H8 N10 O4 -","- C4 H16 N20 O8 -","2","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0471","0.0334","","","0.0825","0.0856","","","","","","0.969","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215084","5.4872","0.0008","11.5472","0.0015","6.4833","0.0009","90","","95.402","0.012","90","","408.97","0.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TKX-50","bishydroxylammonium 5,5-bis(1-oxidotetrazolate","","- C2 H8 N10 O4 -","- C2 H8 N10 O4 -","- C4 H16 N20 O8 -","2","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0427","0.0342","","","0.0818","0.0895","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215085","5.4408","0.0006","11.7514","0.0013","6.5612","0.0009","90","","95.071","0.011","90","","417.86","0.09","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bishydroxylammonium bis-1N-oxidotetrazolate","bishydroxylammonium bis-1N-oxidotetrazolate","","- C2 H8 N10 O4 -","- C2 H8 N10 O4 -","- C4 H16 N20 O8 -","2","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0469","0.0344","","","0.0835","0.0915","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215086","7.6818","0.001","6.7692","0.0012","18.884","0.003","90","","90","","90","","982","0.3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","5,5-bis(1-hydroxy-tetrazole) dimethanolate","5,5-bis(1-hydroxy-tetrazole) dimethanolate","","- C4 H10 N8 O4 -","- C4 H10 N8 O4 -","- C16 H40 N32 O16 -","4","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0767","0.0404","","","0.0827","0.0891","","","","","","0.841","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215087","11.66","0.002","8.705","0.0017","18.028","0.003","90","","90","","90","","1829.8","0.6","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","dimethylammonium 5-(1-hydroxytetrazolyl)-5-(1-oxidotetrazolate","dimethylammonium 5-(1-hydroxytetrazolyl)-5-(1-oxidotetrazolate","","- C4 H9 N9 O2 -","- C4 H9 N9 O2 -","- C32 H72 N72 O16 -","8","1","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0706","0.0437","","","0.0993","0.1201","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215088","7.7443","0.0003","6.2459","0.0003","8.7","0.0003","90","","116.052","0.002","90","","378.06","0.03","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","5,5-bis(1-hydroxy-tetrazole) dihydrate","5,5-bis(1-hydroxy-tetrazole) dihydrate","","- C2 H6 N8 O4 -","- C2 H6 N8 O4 -","- C4 H12 N16 O8 -","2","0.25","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0467","0.0458","","","0.1422","0.1431","","","","","","1.217","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215089","10.9439","0.0006","13.7898","0.0007","14.4698","0.0007","101.357","0.004","99.878","0.004","97.211","0.004","2080.32","0.19","173","0.14","173","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 O Si -","- C54 H46 O Si -","- C108 H92 O2 Si2 -","2","1","","Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong","Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence","Journal of Materials Chemistry","2012","22","38","20266","","10.1039/c2jm34621d","","x-ray","1.5418","CuKα","","0.0787","0.067","","","0.1726","0.1828","","","","","","1.017","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215090","25.5955","0.0003","10.439","0.0001","13.5467","0.0001","90","","90.954","0.001","90","","3619.06","0.06","173","0.14","173","0.14","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C50 H38 Si -","- C50 H38 Si -","- C200 H152 Si4 -","4","1","","Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong","Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence","Journal of Materials Chemistry","2012","22","38","20266","","10.1039/c2jm34621d","","x-ray","1.5418","CuKα","","0.0421","0.0363","","","0.1002","0.1041","","","","","","1.013","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215091","20.6335","0.0019","14.6119","0.0013","9.6084","0.0009","90","","103.327","0.002","90","","2818.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Br2 O Si -","- C31 H28 Br2 O Si -","- C124 H112 Br8 O4 Si4 -","4","1","","Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong","Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence","Journal of Materials Chemistry","2012","22","38","20266","","10.1039/c2jm34621d","","","0.71073","MoKα","","0.0987","0.0498","","","0.1464","0.1756","","","","","","1.016","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215092","16.4393","0.0003","16.4393","0.0003","23.777","0.0009","90","","90","","120","","5564.9","0.3","296","2","296","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H17 O7 Pr -","- C27 H15 O7 Pr -","- C162 H90 O42 Pr6 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Xia, Wei; Chen, Liangjie; Wang, Xidong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua; Burrell, Anthony K.","Ultrasensitive sorption behavior of isostructural lanthanide‒organic frameworks induced by lanthanide contraction","Journal of Materials Chemistry","2012","22","39","21076","","10.1039/c2jm33884j","","","0.71073","MoKα","","0.0452","0.0353","","","0.0899","0.0934","","","","","","0.983","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215093","16.4393","0.0003","16.4393","0.0003","23.777","0.0009","90","","90","","120","","5564.9","0.3","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C33 H31 N2 O9 Pr -","- C33 H15 N2 O9 Pr -","- C198 H90 N12 O54 Pr6 -","6","0.5","","Lin, Zhongjun; Zou, Ruqiang; Xia, Wei; Chen, Liangjie; Wang, Xidong; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua; Burrell, Anthony K.","Ultrasensitive sorption behavior of isostructural lanthanide‒organic frameworks induced by lanthanide contraction","Journal of Materials Chemistry","2012","22","39","21076","","10.1039/c2jm33884j","","","0.71073","MoKα","","0.0897","0.0707","","","0.1949","0.2072","","","","","","1.443","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215094","10.849","0.003","14.172","0.005","20.208","0.007","86.734","0.007","83.852","0.009","79.093","0.007","3031.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H43 Eu4 N2 O32 -","- C54 H43 Eu4 N2 O32 -","- C108 H86 Eu8 N4 O64 -","2","1","","Zhang, Huabin; Zhou, Liujiang; Wei, Jing; Li, Zhihua; Lin, Ping; Du, Shaowu","Highly luminescent and thermostable lanthanide-carboxylate framework materials with helical configurations","Journal of Materials Chemistry","2012","22","39","21210","","10.1039/c2jm34088g","","","0.71073","MoKα","","0.0435","0.0381","","","0.08","0.082","","","","","","0.994","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215095","10.836","0.003","14.156","0.004","20.139","0.005","86.706","0.007","83.875","0.007","78.99","0.004","3012.9","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 Gd4 N2 O32 -","- C54 H40 Gd4 N2 O32 -","- C108 H80 Gd8 N4 O64 -","2","1","","Zhang, Huabin; Zhou, Liujiang; Wei, Jing; Li, Zhihua; Lin, Ping; Du, Shaowu","Highly luminescent and thermostable lanthanide-carboxylate framework materials with helical configurations","Journal of Materials Chemistry","2012","22","39","21210","","10.1039/c2jm34088g","","","0.71073","MoKα","","0.0392","0.0339","","","0.0834","0.0887","","","","","","0.98","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215096","10.85","0.004","14.135","0.005","20.084","0.007","86.494","0.009","83.743","0.007","78.839","0.008","3001.4","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 N2 O32 Tb4 -","- C54 H40 N2 O32 Tb4 -","- C108 H80 N4 O64 Tb8 -","2","1","","Zhang, Huabin; Zhou, Liujiang; Wei, Jing; Li, Zhihua; Lin, Ping; Du, Shaowu","Highly luminescent and thermostable lanthanide-carboxylate framework materials with helical configurations","Journal of Materials Chemistry","2012","22","39","21210","","10.1039/c2jm34088g","","","0.71073","MoKα","","0.0472","0.0404","","","0.1017","0.1088","","","","","","1.057","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215097","27.088","0.0013","27.088","0.0013","41.255","0.0014","90","0.001","90","0.001","90","0.001","30271","2","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- H344 Mn40 Mo96 Na24 O634 P68 -","- Mn40 Mo96 Na24 O634 P68 -","- Mn80 Mo192 Na48 O1268 P136 -","2","0.0625","","Du, Dong-Ying; Qin, Jun-Sheng; Wang, Chun-Gang; Liu, Xian-Chun; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Lan, Ya-Qian; Wang, En-Bo","Redox-active polyoxometalate-based crystalline material-immobilized noble metal nanoparticles: spontaneous reduction and synergistic catalytic activity","Journal of Materials Chemistry","2012","22","39","21040","","10.1039/c2jm33959e","","","0.71069","MoKα","","0.0574","0.0451","","","0.1305","0.1393","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215098","16.682","0.003","6.2944","0.0013","21.713","0.004","90","","105.56","0.03","90","","2196.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F2 N2 O Pt -","- C28 H18 F2 N2 O Pt -","- C112 H72 F8 N8 O4 Pt4 -","4","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0634","0.0452","","","0.0848","0.0907","","","","","","1.221","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215099","20.828","0.004","6.0006","0.0012","15.175","0.003","90","","99.82","0.03","90","","1868.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O Pt -","- C24 H18 N2 O Pt -","- C96 H72 N8 O4 Pt4 -","4","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0402","0.0293","","","0.0518","0.0551","","","","","","1.037","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215100","19.293","0.009","6.181","0.003","17.682","0.008","90","","93.298","0.006","90","","2105.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O Pt -","- C28 H20 N2 O Pt -","- C112 H80 N8 O4 Pt4 -","4","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0509","0.0353","","","0.0747","0.0791","","","","","","0.893","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215101","9.5801","0.0007","8.9412","0.0006","11.6254","0.0008","90","","114.221","0.001","90","","908.14","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O Pt -","- C21 H20 N2 O Pt -","- C42 H40 N4 O2 Pt2 -","2","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0427","0.0341","","","0.0682","0.0796","","","","","","1.101","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215102","8.8439","0.0008","29.671","0.003","8.2022","0.0008","90","","101.712","0.002","90","","2107.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 O Pt -","- C28 H20 N2 O Pt -","- C112 H80 N8 O4 Pt4 -","4","1","","Liu, Shujuan; Sun, Huibin; Ma, Yun; Ye, Shanghui; Liu, Xiangmei; Zhou, Xinhui; Mou, Xin; Wang, Lianhui; Zhao, Qiang; Huang, Wei","Rational design of metallophosphors with tunable aggregation-induced phosphorescent emission and their promising applications in time-resolved luminescence assay and targeted luminescence imaging of cancer cells","Journal of Materials Chemistry","2012","22","41","22167","","10.1039/c2jm34512a","","","0.71073","MoKα","","0.0473","0.0399","","","0.0929","0.0962","","","","","","1.039","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215103","9.1882","0.0018","10.6127","0.0017","10.872","0.0017","97.965","0.003","110.138","0.003","111.785","0.003","880.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O6 -","- C16 H21 N3 O6 -","- C32 H42 N6 O12 -","2","1","","Maity, Suman Kumar; Kumar, Ravi; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Self-assembly and nonlinear optical properties of a synthetic dipeptide","Journal of Materials Chemistry","2012","22","41","22198","","10.1039/c2jm34338j","","","0.71073","MoKα","","0.1028","0.0699","","","0.1954","0.2226","","","","","","1.073","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215104","4.9118","0.0007","12.8431","0.0018","27.493","0.004","90","","90","","90","","1734.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C72 H72 N8 O24 -","4","1","","Maity, Suman Kumar; Kumar, Ravi; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Self-assembly and nonlinear optical properties of a synthetic dipeptide","Journal of Materials Chemistry","2012","22","41","22198","","10.1039/c2jm34338j","","","0.71073","MoKα","","0.0583","0.0393","","","0.0985","0.1144","","","","","","0.98","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215105","7.102","0.002","10.781","0.003","12.643","0.004","100.98","0.005","100.11","0.004","92.151","0.003","933","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 N22 O3 -","- C8 H16 N22 O3 -","- C16 H32 N44 O6 -","2","1","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0595","0.0406","","","0.0822","0.0882","","","","","","0.999","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215106","12.2118","0.001","9.2324","0.0005","13.7527","0.0014","90","","114.505","0.004","90","","1410.9","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N28 O11 -","- C13 H18 N28 O11 -","- C26 H36 N56 O22 -","2","1","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0442","0.037","","","0.0829","0.0866","","","","","","1.002","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215107","10.223","0.004","12.234","0.004","14.849","0.005","90","","107.163","0.004","90","","1774.4","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N20 O3 -","- C8 H14 N20 O3 -","- C32 H56 N80 O12 -","4","0.5","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0642","0.0423","","","0.0907","0.0997","","","","","","0.999","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215108","10.489","0.006","11.018","0.006","15.197","0.008","90","","109.451","0.007","90","","1656","1.6","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N18 O3 -","- C8 H12 N18 O3 -","- C32 H48 N72 O12 -","4","0.5","","Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming","Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity","Journal of Materials Chemistry","2012","22","41","21954","","10.1039/c2jm33873d","","","0.71073","MoKα","","0.0682","0.0447","","","0.0914","0.0986","","","","","","1.001","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215109","13.204","0.002","10.4398","0.0015","21.992","0.003","90","","99.421","0.002","90","","2990.6","0.7","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Cl4 N2 O12 P4 -","- C54 H64 Cl4 N2 O12 P4 -","- C108 H128 Cl8 N4 O24 P8 -","2","0.5","","Chen, Bo; Ding, Junqiao; Wang, Lixiang; Jing, Xiabin; Wang, Fosong","Phosphonate substituted 4,4′-bis(N-carbazolyl)biphenyl with dominant electron injection/transport ability for tuning the single-layer device performance of self-host phosphorescent dendrimer","Journal of Materials Chemistry","2012","22","44","23680","","10.1039/c2jm35526d","","","0.71073","MoKα","","0.0851","0.0625","","","0.1601","0.1772","","","","","","1.008","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215110","12.983","0.004","17.325","0.005","25.312","0.007","106.99","0.005","97.554","0.005","105.072","0.005","5123","3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C256 H272 N6 -","- C256 H272 N6 -","- C256 H272 N6 -","1","0.5","","Zou, Yang; Ye, Tengling; Ma, Dongge; Qin, Jingui; Yang, Chuluo","Star-shaped hexakis(9,9-dihexyl-9H-fluoren-2-yl)benzene end-capped with carbazole and diphenylamine units: solution-processable, high Tg hole-transporting materials for organic light-emitting devices","Journal of Materials Chemistry","2012","22","44","23485","","10.1039/c2jm35618j","","","0.71073","MoKα","","0.1385","0.1047","","","0.2995","0.3382","","","","","","1.331","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215111","17.37","0.002","17.5261","0.0019","19.152","0.002","111.516","0.002","95.702","0.002","104.294","0.002","5138.3","1","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C256 H284 N6 -","- C256 H284 N6 -","- C256 H284 N6 -","1","0.5","","Zou, Yang; Ye, Tengling; Ma, Dongge; Qin, Jingui; Yang, Chuluo","Star-shaped hexakis(9,9-dihexyl-9H-fluoren-2-yl)benzene end-capped with carbazole and diphenylamine units: solution-processable, high Tg hole-transporting materials for organic light-emitting devices","Journal of Materials Chemistry","2012","22","44","23485","","10.1039/c2jm35618j","","","0.71073","MoKα","","0.1729","0.1317","","","0.3724","0.4097","","","","","","1.551","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215112","24.373","0.006","11.367","0.003","36.596","0.01","90","","97.685","0.004","90","","10048","5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H79 Cd3 N5 O26 -","- C67 H54 Cd3 N5 O26 -","- C268 H216 Cd12 N20 O104 -","4","1","","Yi, Fei-Yan; Yang, Weiting; Sun, Zhong-Ming","Highly selective acetone fluorescent sensors based on microporous Cd(ii) metal‒organic frameworks","Journal of Materials Chemistry","2012","22","43","23201","","10.1039/c2jm35273g","","","0.71073","MoKα","","0.1072","0.0775","","","0.225","0.2469","","","","","","1.041","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215113","29.766","0.006","20.293","0.005","16.483","0.004","90","","111.107","0.004","90","","9288","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Cd3 N4 O19 -","- C64 H50 Cd3 N4 O19 -","- C256 H200 Cd12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Yang, Weiting; Sun, Zhong-Ming","Highly selective acetone fluorescent sensors based on microporous Cd(ii) metal‒organic frameworks","Journal of Materials Chemistry","2012","22","43","23201","","10.1039/c2jm35273g","","","0.71073","MoKα","","0.1379","0.0764","","","0.2144","0.2603","","","","","","1.011","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215114","4.328","0.004","19.117","0.016","13.181","0.01","90","","90","","90","","1090.6","1.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 Bi In Se5 -","- Ba2 Bi In Se5 -","- Ba8 Bi4 In4 Se20 -","4","0.5","","Lin, Chen-Sheng; Luo, Zhong-Zhen; Cheng, Wen-Dan; Zhang, Hao; Zhang, Wei-Long","Design of SHG materials with mid-infrared transparency based on genetic engineering for Ba2BiInA5 (A = Se, Te)","Journal of Materials Chemistry","2012","22","40","21713","","10.1039/c2jm34775j","","","0.71073","MoKα","","0.0411","0.0297","","","0.0506","0.0547","","","","","","0.648","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215115","34.569","0.003","17.656","0.002","20.504","0.002","90","","108.326","0.003","90","","11880","2","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H19.2 Mn N5 O4.1 -","- C26 H19.2 Mn N5 O4.1 -","- C520 H384 Mn20 N100 O82 -","20","5","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0733","0.057","","","0.1299","0.1342","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215116","20.661","0.004","11.567","0.002","14.227","0.003","90","","116.01","0.03","90","","3055.7","1.3","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H33 N7 O6 Zn -","- C28 H33 N7 O6 Zn -","- C112 H132 N28 O24 Zn4 -","4","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0714","0.0587","","","0.1292","0.1331","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215117","20.96","0.004","11.53","0.002","14.211","0.003","90","","116.24","0.03","90","","3080.4","1.3","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H30 Co N6 O6 -","- C26 H30 Co N6 O6 -","- C104 H120 Co4 N24 O24 -","4","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0759","0.0526","","","0.1022","0.1058","","","","","","1.076","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215118","11.7678","0.0014","17.166","0.002","19.269","0.002","90","","90","","90","","3892.5","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Co N3 O4 -","- C21 H19 Co N3 O4 -","- C168 H152 Co8 N24 O32 -","8","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0891","0.0395","","","0.0841","0.0942","","","","","","1","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7221325","4.74","","6.75","","6.25","","90","","90","","90","","199.969","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","","","- Ba Li2 Si -","- Ba Li2 Si -","- Ba2 Li4 Si2 -","2","0.25","","Axel, H.; Mueller, W.; Weiss, A.; Schaefer, H.","Die Kristallstruktur der Phase Ba Li2 Si","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1081","1081","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221326","10.18","","10.18","","10.18","","90","","90","","90","","1054.98","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","K Ni (Cr F6)","","- Cr F6 K Ni -","- Cr F6 K Ni -","- Cr8 F48 K8 Ni8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6: Der Rb Ni Cr F6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221327","10.21","","10.21","","10.21","","90","","90","","90","","1064.33","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Ni (Cr F6)","","- Cr F6 Ni Rb -","- Cr F6 Ni Rb -","- Cr8 F48 Ni8 Rb8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6: Der Rb Ni Cr F6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221328","10.38","","10.38","","10.38","","90","","90","","90","","1118.39","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Nb (W O6)","","- Cs Nb O6 W -","- Cs Nb O6 W -","- Cs8 Nb8 O48 W8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6: Der Rb Ni Cr F6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221364","8.055","","8.055","","15.688","","90","","90","","90","","1017.89","","","","","","","","","","","","","2","I 4 c m","I 4 -2c","108","","Sr5 Si3","","- Si3 Sr5 -","- Si3 Sr5 -","- Si12 Sr20 -","4","0.25","","Nagorsen, G.; Rocktaeschel, G.; Schaefer, H.; Weiss, A.","Die Kristallstruktur der Phase Sr5 Si3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","149647","2020-10-21","18:00:00",""
"7221409","9.92","","9.92","","9.92","","90","","90","","90","","976.191","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","K Ni Al F6","","- Al F6 K Ni -","- Al F6 K Ni -","- Al8 F48 K8 Ni8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221410","10.48","","10.48","","10.48","","90","","90","","90","","1151.02","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","K Co Cr F6 (H2 O)","","- Co Cr F6 H2 K O -","- Co Cr F6 K O -","- Co8 Cr8 F48 K8 O8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221411","10.51","","10.51","","10.51","","90","","90","","90","","1160.94","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","K Ni V F6 (H2 O)","","- F6 H2 K Ni O V -","- F6 K Ni O V -","- F48 K8 Ni8 O8 V8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221412","9.96","","9.96","","9.96","","90","","90","","90","","988.048","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Mg Al F6","","- Al F6 Mg Rb -","- Al F6 Mg Rb -","- Al8 F48 Mg8 Rb8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221413","9.97","","9.97","","9.97","","90","","90","","90","","991.027","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Ni Al F6","","- Al F6 Ni Rb -","- Al F6 Ni Rb -","- Al8 F48 Ni8 Rb8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221414","10.17","","10.17","","10.17","","90","","90","","90","","1051.87","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Cu Cr F6","","- Cr Cu F6 Rb -","- Cr Cu F6 Rb -","- Cr8 Cu8 F48 Rb8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221415","10.2","","10.2","","10.2","","90","","90","","90","","1061.21","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Mg Cr F6","","- Cr F6 Mg Rb -","- Cr F6 Mg Rb -","- Cr8 F48 Mg8 Rb8 -","8","0.0416667","","Babel, D.; Viebahn, W.; Pausewang, G.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221416","10.21","","10.21","","10.21","","90","","90","","90","","1064.33","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Tl Ni Cr F6","","- Cr F6 Ni Tl -","- Cr F6 Ni Tl -","- Cr8 F48 Ni8 Tl8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221417","10.04","","10.04","","10.04","","90","","90","","90","","1012.05","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Mg Al F6","","- Al Cs F6 Mg -","- Al Cs F6 Mg -","- Al8 Cs8 F48 Mg8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221418","10.06","","10.06","","10.06","","90","","90","","90","","1018.11","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni Al F6","","- Al Cs F6 Ni -","- Al Cs F6 Ni -","- Al8 Cs8 F48 Ni8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221419","10.08","","10.08","","10.08","","90","","90","","90","","1024.19","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Cu Al F6","","- Al Cs Cu F6 -","- Al Cs Cu F6 -","- Al8 Cs8 Cu8 F48 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221420","10.24","","10.24","","10.24","","90","","90","","90","","1073.74","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni Ga F6","","- Cs F6 Ga Ni -","- Cs F6 Ga Ni -","- Cs8 F48 Ga8 Ni8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221421","10.28","","10.28","","10.28","","90","","90","","90","","1086.37","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Cu Ga F6","","- Cs Cu F6 Ga -","- Cs Cu F6 Ga -","- Cs8 Cu8 F48 Ga8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221422","10.28","","10.28","","10.28","","90","","90","","90","","1086.37","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni Cr F6","","- Cr Cs F6 Ni -","- Cr Cs F6 Ni -","- Cr8 Cs8 F48 Ni8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221423","10.32","","10.32","","10.32","","90","","90","","90","","1099.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Cu Cr F6","","- Cr Cs Cu F6 -","- Cr Cs Cu F6 -","- Cr8 Cs8 Cu8 F48 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221424","10.35","","10.35","","10.35","","90","","90","","90","","1108.72","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Co Cr F6","","- Co Cr Cs F6 -","- Co Cr Cs F6 -","- Co8 Cr8 Cs8 F48 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221425","10.4","","10.4","","10.4","","90","","90","","90","","1124.86","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Fe Cr F6","","- Cr Cs F6 Fe -","- Cr Cs F6 Fe -","- Cr8 Cs8 F48 Fe8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221426","10.49","","10.49","","10.49","","90","","90","","90","","1154.32","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Mn Cr F6","","- Cr Cs F6 Mn -","- Cr Cs F6 Mn -","- Cr8 Cs8 F48 Mn8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221427","10.35","","10.35","","10.35","","90","","90","","90","","1108.72","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni Fe F6","","- Cs F6 Fe Ni -","- Cs F6 Fe Ni -","- Cs8 F48 Fe8 Ni8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221428","10.38","","10.38","","10.38","","90","","90","","90","","1118.39","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Cu Fe F6","","- Cs Cu F6 Fe -","- Cs Cu F6 Fe -","- Cs8 Cu8 F48 Fe8 -","8","0.0416667","","Babel, D.; Viebahn, W.; Pausewang, G.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221429","10.4","","10.4","","10.4","","90","","90","","90","","1124.86","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Co Fe F6","","- Co Cs F6 Fe -","- Co Cs F6 Fe -","- Co8 Cs8 F48 Fe8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221430","10.54","","10.54","","10.54","","90","","90","","90","","1170.91","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Mn Fe F6","","- Cs F6 Fe Mn -","- Cs F6 Fe Mn -","- Cs8 F48 Fe8 Mn8 -","8","0.0416667","","Babel, D.; Viebahn, W.; Pausewang, G.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221431","10.36","","10.36","","10.36","","90","","90","","90","","1111.94","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni V F6","","- Cs F6 Ni V -","- Cs F6 Ni V -","- Cs8 F48 Ni8 V8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221432","10.39","","10.39","","10.39","","90","","90","","90","","1121.62","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Cu V F6","","- Cs Cu F6 V -","- Cs Cu F6 V -","- Cs8 Cu8 F48 V8 -","8","0.0416667","","Babel, D.; Viebahn, W.; Pausewang, G.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221433","10.42","","10.42","","10.42","","90","","90","","90","","1131.37","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Co V F6","","- Co Cs F6 V -","- Co Cs F6 V -","- Co8 Cs8 F48 V8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221434","10.48","","10.48","","10.48","","90","","90","","90","","1151.02","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Fe V F6","","- Cs F6 Fe V -","- Cs F6 Fe V -","- Cs8 F48 Fe8 V8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221435","10.57","","10.57","","10.57","","90","","90","","90","","1180.93","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Mn V F6","","- Cs F6 Mn V -","- Cs F6 Mn V -","- Cs8 F48 Mn8 V8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221436","10.33","","10.33","","10.33","","90","","90","","90","","1102.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","K Nb (W O6)","","- K Nb O6 W -","- K Nb O6 W -","- K8 Nb8 O48 W8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221437","10.49","","10.49","","10.49","","90","","90","","90","","1154.32","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","K Nb (W O6) (H2 O)","","- H2 K Nb O7 W -","- K Nb O7 W -","- K8 Nb8 O56 W8 -","8","0.0416667","","Babel, D.; Viebahn, W.; Pausewang, G.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221438","10.24","","10.24","","10.24","","90","","90","","90","","1073.74","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Zn Ti O F5","","- F5 O Rb Ti Zn -","- F4.9998 O1.0002 Rb Ti Zn -","- F39.9984 O8.0016 Rb8 Ti8 Zn8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221439","10.29","","10.29","","10.29","","90","","90","","90","","1089.55","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Ni W O3 F3","","- F3 Ni O3 Rb W -","- F3 Ni O3 Rb W -","- F24 Ni8 O24 Rb8 W8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221440","10.47","","10.47","","10.47","","90","","90","","90","","1147.73","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Ta2 O5 F","","- F O5 Rb Ta2 -","- F1.0002 O4.9998 Rb Ta2 -","- F8.0016 O39.9984 Rb8 Ta16 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221441","10.48","","10.48","","10.48","","90","","90","","90","","1151.02","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Nb2 O5 F","","- F Nb2 O5 Rb -","- F1.0002 Nb2 O4.9998 Rb -","- F8.0016 Nb16 O39.9984 Rb8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221442","10.35","","10.35","","10.35","","90","","90","","90","","1108.72","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb (Nb W O6)","","- Nb O6 Rb W -","- Nb O6 Rb W -","- Nb8 O48 Rb8 W8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221443","10.36","","10.36","","10.36","","90","","90","","90","","1111.94","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Tl (Nb W O6)","","- Nb O6 Tl W -","- Nb O6 Tl W -","- Nb8 O48 Tl8 W8 -","8","0.0416667","","Babel, D.; Viebahn, W.; Pausewang, G.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221444","10.34","","10.34","","10.34","","90","","90","","90","","1105.51","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni Ti O F5","","- Cs F5 Ni O Ti -","- Cs F4.9998 Ni O1.0002 Ti -","- Cs8 F39.9984 Ni8 O8.0016 Ti8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221445","10.35","","10.35","","10.35","","90","","90","","90","","1108.72","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Cu Ti O F5","","- Cs Cu F5 O Ti -","- Cs Cu F4.9998 O1.0002 Ti -","- Cs8 Cu8 F39.9984 O8.0016 Ti8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221446","10.36","","10.36","","10.36","","90","","90","","90","","1111.94","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Zn Ti O F5","","- Cs F5 O Ti Zn -","- Cs F4.9998 O1.0002 Ti Zn -","- Cs8 F39.9984 O8.0016 Ti8 Zn8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221447","10.39","","10.39","","10.39","","90","","90","","90","","1121.62","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Co Ti O F5","","- Co Cs F5 O Ti -","- Co Cs F4.9998 O1.0002 Ti -","- Co8 Cs8 F39.9984 O8.0016 Ti8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221448","10.5","","10.5","","10.5","","90","","90","","90","","1157.62","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Mn Ti O F5","","- Cs F5 Mn O Ti -","- Cs F4.9998 Mn O1.0002 Ti -","- Cs8 F39.9984 Mn8 O8.0016 Ti8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221449","10.48","","10.48","","10.48","","90","","90","","90","","1151.02","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni Ta O2 F4","","- Cs F4 Ni O2 Ta -","- Cs F4.0002 Ni O1.9998 Ta -","- Cs8 F32.0016 Ni8 O15.9984 Ta8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221450","10.52","","10.52","","10.52","","90","","90","","90","","1164.25","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Co Ta O2 F4","","- Co Cs F4 O2 Ta -","- Co Cs F4.0002 O1.9998 Ta -","- Co8 Cs8 F32.0016 O15.9984 Ta8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221451","10.5","","10.5","","10.5","","90","","90","","90","","1157.62","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni Nb O2 F4","","- Cs F4 Nb Ni O2 -","- Cs F4.0002 Nb Ni O1.9998 -","- Cs8 F32.0016 Nb8 Ni8 O15.9984 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221452","10.52","","10.52","","10.52","","90","","90","","90","","1164.25","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Zn Nb O2 F4","","- Cs F4 Nb O2 Zn -","- Cs F4.0002 Nb O1.9998 Zn -","- Cs8 F32.0016 Nb8 O15.9984 Zn8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221453","10.37","","10.37","","10.37","","90","","90","","90","","1115.16","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni Mo O3 F3","","- Cs F3 Mo Ni O3 -","- Cs F3 Mo Ni O3 -","- Cs8 F24 Mo8 Ni8 O24 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221454","10.41","","10.41","","10.41","","90","","90","","90","","1128.11","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Zn Mo O3 F3","","- Cs F3 Mo O3 Zn -","- Cs F3 Mo O3 Zn -","- Cs8 F24 Mo8 O24 Zn8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221455","10.55","","10.55","","10.55","","90","","90","","90","","1174.24","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Mn Mo O3 F3","","- Cs F3 Mn Mo O3 -","- Cs F3 Mn Mo O3 -","- Cs8 F24 Mn8 Mo8 O24 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221456","10.36","","10.36","","10.36","","90","","90","","90","","1111.94","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ni W O3 F3","","- Cs F3 Ni O3 W -","- Cs F3 Ni O3 W -","- Cs8 F24 Ni8 O24 W8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221457","10.4","","10.4","","10.4","","90","","90","","90","","1124.86","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Zn W O3 F3","","- Cs F3 O3 W Zn -","- Cs F3 O3 W Zn -","- Cs8 F24 O24 W8 Zn8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221458","10.41","","10.41","","10.41","","90","","90","","90","","1128.11","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Co W O3 F3","","- Co Cs F3 O3 W -","- Co Cs F3 O3 W -","- Co8 Cs8 F24 O24 W8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221459","10.38","","10.38","","10.38","","90","","90","","90","","1118.39","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ti Nb O4 F2","","- Cs F2 Nb O4 Ti -","- Cs F1.9998 Nb O4.0002 Ti -","- Cs8 F15.9984 Nb8 O32.0016 Ti8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221460","10.5","","10.5","","10.5","","90","","90","","90","","1157.62","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ta2 O5 F","","- Cs F O5 Ta2 -","- Cs F1.0002 O4.9998 Ta2 -","- Cs8 F8.0016 O39.9984 Ta16 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221461","10.51","","10.51","","10.51","","90","","90","","90","","1160.94","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Nb2 O5 F","","- Cs F Nb2 O5 -","- Cs F1.0002 Nb2 O4.9998 -","- Cs8 F8.0016 Nb16 O39.9984 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221462","10.22","","10.22","","10.22","","90","","90","","90","","1067.46","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Sb Te O6","","- Cs O6 Sb Te -","- Cs O6 Sb Te -","- Cs8 O48 Sb8 Te8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221463","10.18","","10.18","","10.18","","90","","90","","90","","1054.98","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs V W O6","","- Cs O6 V W -","- Cs O6 V W -","- Cs8 O48 V8 W8 -","8","0.0416667","","Babel, D.; Pausewang, G.; Viebahn, W.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221464","10.36","","10.36","","10.36","","90","","90","","90","","1111.94","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cs Ta W O6","","- Cs O6 Ta W -","- Cs O6 Ta W -","- Cs8 O48 Ta8 W8 -","8","0.0416667","","Babel, D.; Viebahn, W.; Pausewang, G.","Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der RbNiCrF6-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1967","22","","1219","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222424","6.8943","0.0003","11.9131","0.0005","4.80742","0.00005","90","","90","","90.268","0.003","394.84","0.02","90","","90","","","","","","","","","2","?","?","","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222425","6.8939","0.0003","11.9135","0.0005","4.80731","0.00005","90","","90","","90.262","0.003","394.82","0.02","90","","90","","","","","","","","","2","?","?","","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222426","6.8929","0.0003","11.9152","0.0005","4.8061","0.00004","90","","90","","90.222","0.003","394.72","0.02","90","","90","","","","","","","","","2","?","?","","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222428","6.8924","0.0003","11.9164","0.0005","4.80483","0.00004","90","","90","","90.2","0.003","394.63","0.02","90","","90","","","","","","","","","2","?","?","","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222429","6.90396","0.00006","11.89561","0.00011","4.7959","0.00004","90","","90","","90","","393.872","0.006","90","","90","","","","","","","","","2","C c m m","-C 2c 2c","63","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","0.125","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222430","6.90198","0.00006","11.90062","0.00011","4.7964","0.00004","90","","90","","90","","393.966","0.006","90","","90","","","","","","","","","2","C c m m","-C 2c 2c","63","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","0.125","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7222431","6.899","0.00007","11.90799","0.00011","4.7973","0.00004","90","","90","","90","","394.114","0.006","90","","90","","","","","","","","","2","C c m m","-C 2c 2c","63","","","","- Mn5 Si3 -","- Mn10 Si6 -","- Mn20 Si12 -","2","0.125","","Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas","Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material","Journal of Materials Chemistry","2012","22","30","15275","","10.1039/c2jm00154c","powder diffraction","","","neutron","","","","","","","","","","","","","","","","","has coordinates","160195","2020-10-21","18:00:00",""
"7234791","24.9223","0.0004","9.0196","0.0002","8.8869","0.0001","90","","93.248","0.002","90","","1994.47","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","1.54184","CuKα","","0.0182","0.0166","","","0.0428","0.0437","","","","","","1.095","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234792","25.174","0.005","9.1572","0.0018","8.9838","0.0017","90","","93.25","0.007","90","","2067.6","0.7","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0488","0.0306","","","0.0598","0.0655","","","","","","1.02","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234793","7.9617","0.0001","9.9312","0.0001","23.5837","0.0003","90","","90","","90","","1864.75","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0234","0.0188","","","0.0489","0.052","","","","","","1.059","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234794","9.24933","0.00017","25.7601","0.0006","8.66218","0.00018","90","","90","","90","","2063.88","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0467","0.0453","","","0.1087","0.1093","","","","","","1.121","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234795","9.1624","0.0005","23.482","0.0012","8.993","0.0004","90","","90","","90","","1934.86","0.17","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0344","0.0275","","","0.0688","0.073","","","","","","1.037","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234796","8.134","0.002","9.964","0.003","23.849","0.006","90","","90","","90","","1932.9","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0549","0.0417","","","0.1026","0.1122","","","","","","1.037","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234797","9.27849","0.00019","23.5754","0.0005","8.6023","0.0002","90","","90","","90","","1881.7","0.07","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0316","0.0294","","","0.079","0.0809","","","","","","1.057","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234798","9.2133","0.0002","25.7139","0.0006","8.9323","0.0002","90","","90","","90","","2116.15","0.08","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.065","0.0446","","","0.1124","0.1229","","","","","","1.098","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234842","20.536","0.006","12.539","0.002","7.7893","0.0014","90","","91.11","0.02","90","","2005.4","0.8","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 N10 O10 -","- C44 H36 Ag2 N10 O10 -","- C88 H72 Ag4 N20 O20 -","2","0.25","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.048","0.0459","","","0.1205","0.1235","","","","","","1.053","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234843","37.8693","0.0014","7.4572","0.0004","17.8043","0.0008","90","","90","","90","","5027.9","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H42 Ag2 F6 N8 O9 -","- C50.004 H40 Ag2 F6.006 N8 O9.004 -","- C200.016 H160 Ag8 F24.024 N32 O36.016 -","4","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0682","0.0447","","","0.1117","0.1286","","","","","","1.035","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234844","22.6683","0.0006","11.9842","0.0002","17.9923","0.0005","90","","111.403","0.003","90","","4550.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag F3 N4 O4 -","- C24 H18 Ag F3 N4 O4 -","- C192 H144 Ag8 F24 N32 O32 -","8","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0253","0.0238","","","0.0624","0.0638","","","","","","1.032","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234845","7.2584","0.0002","14.4126","0.0003","21.3749","0.0005","90","","91.472","0.002","90","","2235.34","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag N5 O5 -","- C24 H22 Ag N5 O5 -","- C96 H88 Ag4 N20 O20 -","4","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0385","0.0312","","","0.0766","0.0806","","","","","","1.033","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234846","9.2321","0.0003","11.438","0.0004","11.853","0.0004","96.574","0.003","91.848","0.002","104.559","0.003","1201.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Ag2 Cl2 N8 O12 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","1","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0267","0.0244","","","0.0645","0.0665","","","","","","1.027","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234847","7.3244","0.0006","8.2198","0.0007","19.557","0.001","87.931","0.005","86.794","0.006","88.681","0.007","1174.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Ag N5 O6 -","- C23 H22 Ag N5 O6 -","- C46 H44 Ag2 N10 O12 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.0784","0.0629","","","0.1642","0.1824","","","","","","1.043","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234848","8.7388","0.0003","11.7437","0.0004","15.173","0.0004","89.58","0.003","74.494","0.003","80.378","0.003","1478.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Ag F3 N4 O8 -","- C26 H30 Ag F3 N4 O8 -","- C52 H60 Ag2 F6 N8 O16 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0604","0.0486","","","0.1386","0.1495","","","","","","1.052","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234849","17.657","0.0005","21.7188","0.0005","27.9006","0.0005","97.688","0.002","100.408","0.002","98.551","0.002","10263.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C320 H460 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1263","0.1047","","","0.241","0.2561","","","","","","1.401","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234850","13.8053","0.0003","13.8709","0.0003","16.1942","0.0004","65.439","0.002","83.047","0.002","87.191","0.002","2799.73","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H134 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0532","0.0434","","","0.1076","0.1112","","","","","","1.007","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234851","13.9722","0.0003","17.1363","0.0007","44.1982","0.0012","97.328","0.003","93.974","0.002","100.205","0.003","10284.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C160 H224 Ce2 Cl N12 Na O104 S16 -","- C160 H180 Ce2 Cl N12 Na O104 S16 -","- C320 H360 Ce4 Cl2 N24 Na2 O208 S32 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1649","0.1084","","","0.2528","0.2942","","","","","","1.246","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234852","15.0362","0.0002","17.4614","0.0003","21.0544","0.0003","100.755","0.001","95.9","0.001","98.544","0.001","5321.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H126 Er2 N4 O63.5 S8 -","- C74 H78 Er2 N4 O63.4991 S8 -","- C148 H156 Er4 N8 O126.998 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0865","0.0752","","","0.1866","0.1949","","","","","","1.003","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234853","15.1413","0.0003","21.5216","0.0004","25.0716","0.0004","105.589","0.001","96.342","0.001","109.239","0.002","7249.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H162 Ce1.33 N4 O63 P2 S8 -","- C120 H118 Ce1.3333 N4 O63 P2 S8 -","- C240 H236 Ce2.6666 N8 O126 P4 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1028","0.0855","","","0.2439","0.2616","","","","","","1.015","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234854","16.9848","0.0003","17.2326","0.0003","23.7694","0.0004","98.35","0.001","103.459","0.001","116.03","0.002","5831.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H286 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.066","0.053","","","0.1289","0.1371","","","","","","1.07","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234855","14.9999","0.0003","17.5274","0.0004","21.1206","0.0004","100.434","0.002","96.481","0.002","98.621","0.002","5343","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H258 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.1536","0.1066","","","0.2585","0.2932","","","","","","1.004","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234856","22.4311","0.0003","36.5505","0.0004","43.3752","0.0008","90","","104.433","0.002","90","","34439.6","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C576 H812 Cl Gd10 N24 Na O358 P6 S48 -","- C576 H588 Cl Gd10 N24 Na O358 P6 S48 -","- C1152 H1176 Cl2 Gd20 N48 Na2 O716 P12 S96 -","2","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1219","0.0975","","","0.2571","0.2824","","","","","","1.008","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234857","15.2241","0.0002","17.7001","0.0003","20.5479","0.0003","100.785","0.001","96.463","0.001","97.675","0.001","5336.4","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H126 Gd2 N4 O65 S8 -","- C72 H126 Gd2 N4 O65 S8 -","- C144 H252 Gd4 N8 O130 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.046","0.0354","","","0.0813","0.0861","","","","","","1","","","","has coordinates","257434","2020-10-21","18:00:00",""
"7234893","14.234","0.0013","19.8446","0.0019","15.452","0.0016","90","","106.326","0.003","90","","4188.7","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H52 Cu4 N32 -","- C100 H52 Cu4 N32 -","- C200 H104 Cu8 N64 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kawata, Satoshi","Supramolecular self-assembled coordination architecture composed of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear CuII complex and 7,7′,8,8′,-tetracyano-p-quinodimethanide radicals","CrystEngComm","2020","22","2","159","163","10.1039/C9CE01580A","","","0.71075","MoKα","","0.0688","0.0433","","","0.1126","0.1321","","","","","","1.043","","","","has coordinates","257462","2020-10-21","18:00:00",""
"7234964","5.8783","0.0005","10.3023","0.001","10.5662","0.001","71.108","0.011","78.415","0.011","74.975","0.011","579.92","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cd N3 S2 -","- C8 H7 Cd N3 S2 -","- C16 H14 Cd2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.043","0.0359","","","0.0869","0.0906","","","","","","1.003","","","","has coordinates,has disorder","257461","2020-10-21","18:00:00",""
"7234965","20.2576","0.0008","9.3191","0.0003","19.2831","0.0006","90","","116.135","0.002","90","","3268.1","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C112 H112 Fe8 N32 S16 -","8","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0098","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234966","10.2833","0.0006","12.3146","0.0006","7.686","0.0003","90","","103.823","0.004","90","","945.13","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe N4 O2 S2 -","- C14 H14 Fe N4 O2 S2 -","- C28 H28 Fe2 N8 O4 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0218","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234967","5.83966","0.00012","17.8924","0.0004","8.63648","0.00018","90","","108.751","0.0015","90","","854.49","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd N4 S2 -","- C14 H14 Cd N4 S2 -","- C28 H28 Cd2 N8 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0172","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234968","5.6544","0.0004","10.3052","0.0008","10.4498","0.0007","70.083","0.005","78.969","0.007","75.518","0.004","550.52","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Fe N3 S2 -","- C8 H4 Fe N3 S2 -","- C16 H8 Fe2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0146","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234969","27.693","0.003","27.693","0.003","11.1885","0.001","90","","90","","120","","7430.9","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Fe N6 S2 -","- C26 H28 Fe N6 S2 -","- C234 H252 Fe9 N54 S18 -","9","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.1073","0.0676","","","0.1526","0.171","","","","","","1.04","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234970","11.2219","0.0019","17.954","0.002","9.0559","0.0014","90","","112.725","0.007","90","","1682.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C56 H56 Fe4 N16 S8 -","4","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0101","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7235010","9.3667","0.0007","9.5064","0.0007","15.1076","0.0011","84.047","0.002","75.365","0.002","79.476","0.002","1277.35","0.16","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cu N4 O4 Pb S2 -","- C23 H28 Cu N4 O4 Pb S2 -","- C46 H56 Cu2 N8 O8 Pb2 S4 -","2","1","","Mirdya, Saikat; Banerjee, Snehasis; Chattopadhyay, Shouvik","An insight into the non-covalent Pb⋯S and S⋯S interactions in the solid-state structure of a hemidirected lead(ii) complex","CrystEngComm","2020","22","2","237","247","10.1039/C9CE01548E","","","0.71073","MoKα","","0.0287","0.0258","","","0.0638","0.0652","","","","","","1.076","","","","has coordinates","257463","2020-10-21","18:00:00",""
"7235108","16.537","0.004","10.001","0.004","12.295","0.003","90","","99.96","0.03","90","","2002.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N16 O16 -","- C8 H10 N16 O16 -","- C32 H40 N64 O64 -","4","1","","Zhang, Menghua; Tan, Yingxin; Zhao, Xu; Zhang, Jianhu; Huang, Shiliang; Zhai, Zhaohui; Liu, Yu; Yang, Zhijian","Seeking a novel energetic co-crystal strategy through the interfacial self-assembly of CL-20 and HMX nanocrystals","CrystEngComm","2020","22","1","61","67","10.1039/C9CE01447K","","","1.54184","CuKα","","0.3876","0.1668","","","0.391","0.5023","","","","","","1.003","","","","has coordinates,has disorder","257437","2020-10-21","18:00:00",""
"7235142","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O149.5 S16 -","- C313 H317 N24 O149.5 S16 -","- C1252 H1268 N96 O598 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.2282","0.1837","","","0.4178","0.4651","","","","","","1.627","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235143","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O77 S16 -","- C313 H317 N24 O77 S16 -","- C1252 H1268 N96 O308 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.1191","0.0831","","","0.2284","0.2815","","","","","","0.94","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235172","7.1235","0.0002","11.1935","0.0004","11.6744","0.0004","90","","97.716","0.001","90","","922.45","0.05","173.15","","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H18 Cl4 Cu N4 O -","- C14 H18 Cl4 Cu N4 O -","- C28 H36 Cl8 Cu2 N8 O2 -","2","1","","Jiang, Chunli; Luo, Qianqian; Fu, Hanmei; Lin, Hechun; Luo, Chunhua; Wang, Jianlu; Meng, Xiangjian; Peng, Hui; Duan, Chun-Gang; Chu, Junhao","Ferroelectricity and antiferromagnetism in organic‒inorganic hybrid (1,4-bis(imidazol-1-ylmethyl)benzene)CuCl4·H2O","CrystEngComm","2020","22","3","587","592","10.1039/C9CE01607D","","","1.54178","CuKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.121","","","","has coordinates","257487","2020-10-21","18:00:00",""
"7235203","6.7858","0.0002","8.7123","0.0002","18.1329","0.0004","99.099","0.002","91.152","0.002","97.907","0.002","1047.5","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H15 N5 -","- C28 H15 N5 -","- C56 H30 N10 -","2","1","","Mandal, Arkalekha; Choudhury, Anwesha; Kumar, Rahul; Iyer, Parameswar Krishnan; Mal, Prasenjit","Exploring the semiconductor properties of a charge transfer cocrystal of 1-aminopyrene and TCNQ","CrystEngComm","2020","22","4","720","727","10.1039/C9CE01507H","","","1.54184","CuKα","","0.1352","0.1199","","","0.2771","0.2819","","","","","","1.021","","","","has coordinates","257457","2020-10-21","18:00:00",""
"7235204","17.0495","0.001","9.9661","0.0008","18.6572","0.0017","90","","115.397","0.006","90","","2863.8","0.4","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I2 N4 Ru -","- C20 H36 I2 N4 Ru -","- C80 H144 I8 N16 Ru4 -","4","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0755","0.0398","","","0.0884","0.1056","","","","","","0.874","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235205","9.19","0.0005","9.434","0.002","13.143","0.003","88.54","0.02","69.663","0.012","86.654","0.016","1066.6","0.3","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0737","0.036","","","0.0779","0.0914","","","","","","0.916","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235206","9.3125","0.0004","9.3992","0.0004","12.7543","0.0005","71.759","0.001","81.883","0.002","80.6","0.002","1041.2","0.08","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0817","0.068","","","0.2074","0.2633","","","","","","1.138","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235207","12.2003","0.0004","17.9075","0.0007","7.4507","0.0003","90","","99.935","0.001","90","","1603.4","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0352","0.0286","","","0.0576","0.0596","","","","","","1.26","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235208","12.1215","0.0004","17.8414","0.0006","7.3462","0.0002","90","","99.739","0.001","90","","1565.83","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0249","0.0219","","","0.046","0.047","","","","","","1.105","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235209","4.3401","0.0001","16.4262","0.0005","30.145","0.0011","90","","93.037","0.003","90","","2146.06","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 I3 O4 Pd -","- C16 H14 F3 I3 O4 Pd -","- C64 H56 F12 I12 O16 Pd4 -","4","1","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","x-ray","0.71073","MoKα","","0.0388","0.0344","","","0.0618","0.0633","","","","","","1.176","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235210","12.2282","0.0005","17.9253","0.0007","7.4916","0.0003","90","","99.941","0.001","90","","1617.46","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0403","0.0314","","","0.0723","0.0769","","","","","","1.055","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235211","12.1462","0.0004","17.866","0.0006","7.3776","0.0002","90","","99.848","0.001","90","","1577.38","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0262","0.0228","","","0.0477","0.0489","","","","","","1.143","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235212","12.1714","0.0004","17.8866","0.0006","7.4115","0.0003","90","","99.909","0.001","90","","1589.45","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0325","0.0269","","","0.0544","0.0561","","","","","","1.211","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235213","7.6304","0.0005","17.6827","0.0013","17.7371","0.0011","90","","90","","90","","2393.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O12 -","- C20 H20 Co N6 O12 -","- C80 H80 Co4 N24 O48 -","4","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.1301","0.073","","","0.1376","0.1607","","","","","","1.111","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235214","8.9683","0.0015","3.8091","0.0007","14.749","0.003","90","","91.476","0.013","90","","503.68","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.54178","CuKα","","0.1054","0.0696","","","0.2046","0.2481","","","","","","1.101","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235215","6.9152","0.0003","18.3958","0.0008","7.2525","0.0003","90","","115.199","0.002","90","","834.8","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.0518","0.045","","","0.1215","0.1289","","","","","","1.056","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235220","9.18848","0.00015","18.3718","0.0002","19.6091","0.00018","98.7879","0.0009","92.6442","0.001","97.7172","0.0013","3234.19","0.07","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C80 H78 O14 -","- C80 H78 O14 -","- C160 H156 O28 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.0872","0.0802","","","0.2322","0.2417","","","","","","1.029","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235221","11.97202","0.00019","12.277","0.00018","12.64035","0.00017","90","","90","","90","","1857.88","0.05","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H17 N O2 -","- C28 H17 N O2 -","- C112 H68 N4 O8 -","4","0.5","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.048","0.0453","","","0.127","0.1307","","","","","","1.05","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235222","10.2344","0.0008","33.477","0.002","11.5077","0.001","90","","93.536","0.007","90","","3935.2","0.5","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 N4 O11 -","- C42 H42 N4 O11 -","- C168 H168 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.2056","0.1064","","","0.2472","0.2994","","","","","","0.995","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235223","14.3333","0.0005","11.8876","0.0004","16.9672","0.0006","90","","96.463","0.003","90","","2872.64","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C160 H104 N8 O16 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71073","MoKα","","0.0957","0.053","","","0.1046","0.1176","","","","","","1.024","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235224","33.4734","0.001","10.5712","0.0004","11.1961","0.0004","90","","90","","90","","3961.8","0.2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H43 N4 O11 -","- C42 H43 N4 O11 -","- C168 H172 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.0872","0.056","","","0.1358","0.1536","","","","","","1.04","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235225","10.3818","0.0005","10.9676","0.0002","18.7727","0.0005","95.299","0.002","98.714","0.003","91.279","0.003","2102.39","0.12","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C44.8 H39.6 N3.6 O8.2 -","- C44.8 H39.6 N3.6 O8.2 -","- C89.6 H79.2 N7.2 O16.4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.1811","0.1379","","","0.3957","0.4352","","","","","","1.586","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235226","12.1391","0.0002","12.7561","0.00012","38.9751","0.0004","90","","90","","90","","6035.2","0.13","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C336 H208 N16 O32 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.099","0.0954","","","0.2882","0.2908","","","","","","1.146","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235227","30.1293","0.0019","30.1293","0.0019","8.9281","0.0006","90","","90","","120","","7018.9","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H24 Cl4 Cu N2 O5 -","- C24 H16 Cu N2 O4 -","- C216 H144 Cu9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0369","0.0339","","","0.1079","0.1094","","","","","","1.106","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235228","8.7775","0.0005","6.8216","0.0005","16.1117","0.0009","90","","105.151","0.002","90","","931.18","0.1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C48 H32 Co2 N4 O8 -","2","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0405","0.0382","","","0.1103","0.1118","","","","","","1.124","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235229","15.516","0.002","17.11","0.002","9.6566","0.0014","90","","95.233","0.003","90","","2552.9","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl2 N2 O5 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0349","0.0305","","","0.0763","0.0802","","","","","","0.975","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235230","12.4544","0.0014","4.099","0.0005","23.844","0.003","90","","103.822","0.002","90","","1182","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu I N O2 -","- C12 H9 Cu I N O2 -","- C48 H36 Cu4 I4 N4 O8 -","4","1","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.032","0.0273","","","0.069","0.0802","","","","","","1.15","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235231","31.087","0.008","31.087","0.008","8.954","0.002","90","","90","","120","","7494","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H26 Cl2 Co N2 O6 -","- C24 H16 Co N2 O4 -","- C216 H144 Co9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.1058","0.0538","","","0.1281","0.1465","","","","","","0.944","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235232","10.75","0.003","13.933","0.005","14.348","0.005","73.692","0.012","74.143","0.012","68.269","0.012","1881.1","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H12 O10 Zn2 -","- C29 H12 O10 Zn2 -","- C58 H24 O20 Zn4 -","2","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1189","0.0653","","","0.1655","0.1807","","","","","","0.864","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235233","18.5664","0.0012","10.3393","0.0006","23.224","0.0013","90","","119.006","0.002","90","","3899","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 N2 O10 Zn2 -","- C39 H34 N2 O10 Zn2 -","- C156 H136 N8 O40 Zn8 -","4","0.5","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1148","0.0826","","","0.2587","0.2831","","","","","","1.101","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235234","13.36","0.004","17.2","0.004","14.314","0.004","90","","94.69","0.01","90","","3278.2","1.5","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26.5 H14 O5 Zn -","- C26.5 H14 O5 Zn -","- C106 H56 O20 Zn4 -","4","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71069","MoKα","","0.0763","0.0566","","","0.1568","0.1682","","","","","","0.951","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235235","44.21","0.002","44.21","0.002","44.21","0.002","90","","90","","90","","86410","7","150","2","150","2","","","","","","","","4","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C53.33 H27.08 O9.33 Zn2 -","- C53 H28 O9.33333 Zn2 -","- C2544 H1344 O448 Zn96 -","48","0.25","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1059","0.0546","","","0.1699","0.19","","","","","","1.039","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235236","12.012","0.003","9.465","0.003","15.801","0.005","90","","91.447","0.005","90","","1795.9","0.9","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Zhao, Hong-Ping; Liang, Gui-Chao; Nie, Shu-Min; Lu, Xiuqiang; Pan, Cheng-Xue; Zhong, Xin-Xian; Su, Gui-Fa; Mo, Dong-Liang","Metal-free graphene oxide-catalyzed aza-semipinacol rearrangement to prepare 2-(indol-2-yl)phenols and benzofuro[3,2-b]indolines containing quaternary carbon centers","Green Chemistry","2020","22","2","404","410","10.1039/C9GC03345A","","","0.71073","MoKα","","0.075","0.0448","","","0.116","0.1352","","","","","","1.032","","","","has coordinates","257595","2020-10-21","18:00:00",""
"7235237","11.9604","0.0012","12.4903","0.0014","19.9494","0.0023","90","","144.456","0.0031","90","","1732.5","0.4","225","","225","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 B2 D24 Mg O3 -","- C12 H8 B2 D24 Mg O3 -","- C48 H32 B8 D96 Mg4 O12 -","4","0.5","","Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.","Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.","Physical chemistry chemical physics : PCCP","2019","22","1","368","378","10.1039/c9cp03311d","powder diffraction","neutron","1.5397","","","","","","","","","0.08542","","1.22","","","","","","","has coordinates","247834","2020-10-21","18:00:00",""
"7235238","12.1152","0.002","12.6233","0.0018","20.199","0.004","90","","144.992","0.004","90","","1772.2","0.6","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 B2 D24 Mg O3 -","- C12 H8 B2 D24 Mg O3 -","- C48 H32 B8 D96 Mg4 O12 -","4","0.5","","Dimitrievska, Mirjana; Chong, Marina; Bowden, Mark E.; Wu, Hui; Zhou, Wei; Nayyar, Iffat; Ginovska, Bojana; Gennett, Thomas; Autrey, Tom; Jensen, Craig M.; Udovic, Terrence J.","Structural and reorientational dynamics of tetrahydroborate (BH<sub>4</sub><sup>-</sup>) and tetrahydrofuran (THF) in a Mg(BH<sub>4</sub>)<sub>2</sub>·3THF adduct: neutron-scattering characterization.","Physical chemistry chemical physics : PCCP","2019","22","1","368","378","10.1039/c9cp03311d","powder diffraction","neutron","1.5397","","","","","","","","","0.26762","","1.21","","","","","","","has coordinates","247834","2020-10-21","18:00:00",""
"7235247","11.241","0.003","5.7323","0.0017","17.696","0.005","90","","97.712","0.005","90","","1130","0.6","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","2","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.047","0.0397","","","0.0945","0.0981","","","","","","1.059","","","","has coordinates","257588","2020-10-21","18:00:00",""
"7235248","12.2746","0.0008","9.2499","0.0006","14.751","0.0009","90","","100.612","0.002","90","","1646.17","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.0781","0.0592","","","0.1182","0.1274","","","","","","1.029","","","","has coordinates","257588","2020-10-21","18:00:00",""
"7235249","14.568","0.002","5.0757","0.0008","16.496","0.003","90","","102.818","0.005","90","","1189.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","1","","Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines","Green Chemistry","2020","22","4","1164","1170","10.1039/C9GC03608C","","","0.71073","MoKα","","0.0944","0.0441","","","0.0762","0.0901","","","","","","1.011","","","","has coordinates,has disorder","257588","2020-10-21","18:00:00",""
"7235256","8.6559","0.0005","15.6308","0.0009","16.2787","0.0008","90","","90","","90","","2202.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H56 Br12 N12 O5 -","- C96 H56 Br12 N12 O5 -","- C96 H56 Br12 N12 O5 -","1","0.25","","Gohain, Shivanee Borpatra; Basumatary, Monika; Boruah, Purna K.; Das, Manash R.; Thakur, Ashim Jyoti","Nano Au/Pd-catalysed ‘on-water’ synthesis of C3‒C3′ diaryl-oxindole scaffolds via N2-selective dearomatization of indole","Green Chemistry","2020","22","1","170","179","10.1039/C9GC02370D","","","0.71073","MoKα","","0.1928","0.0596","","","0.1108","0.1538","","","","","","0.94","","","","has coordinates","257573","2020-10-21","18:00:00",""
"7235257","14.8779","0.0007","25.5062","0.0007","15.6343","0.0005","90","","104.511","0.002","90","","5743.6","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Br2 F6 Ir N4 P -","- C52 H46 Br2 F6 Ir N4 P -","- C208 H184 Br8 F24 Ir4 N16 P4 -","4","0.5","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0526","0.0485","","","0.1336","0.1375","","","","","","1.07","","","","has coordinates","257576","2020-10-21","18:00:00",""
"7235258","11.3884","0.0014","14.5156","0.0018","14.8459","0.0017","90","","105.062","0.005","90","","2369.9","0.5","173","2","173","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C40 H38 Br2 Cl0.5 F9 Ir N4 P1.5 -","- C40 H38 Br2 Cl0.5 F9 Ir N4 P1.5 -","- C80 H76 Br4 Cl F18 Ir2 N8 P3 -","2","0.5","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0762","0.0623","","","0.1864","0.2044","","","","","","1.018","","","","has coordinates,has disorder","257576","2020-10-21","18:00:00",""
"7235259","12.1698","0.0005","14.9926","0.0006","16.2329","0.0007","78.079","0.001","89.769","0.002","77.466","0.002","2826.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 F6 Ir N4 P -","- C64 H56 F6 Ir N4 P -","- C128 H112 F12 Ir2 N8 P2 -","2","1","","Xu, Zi-Yue; Luo, Yi; Zhang, Dan-Wei; Wang, Hui; Sun, Xing-Wen; Li, Zhan-Ting","Iridium complex-linked porous organic polymers for recyclable, broad-scope photocatalysis of organic transformations","Green Chemistry","2020","22","1","136","143","10.1039/C9GC03688A","","","1.34138","GaKα","","0.0447","0.0375","","","0.092","0.0955","","","","","","1.122","","","","has coordinates,has disorder","257576","2020-10-21","18:00:00",""
"7236906","9.5818","0.0003","9.2966","0.0003","29.1439","0.0009","90","","96.654","0.002","90","","2578.6","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N4 O -","- C30 H30 N4 O -","- C120 H120 N16 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1542","0.0707","","","0.1926","0.2428","","","","","","1.059","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236907","9.7349","0.0002","26.4673","0.0004","9.6839","0.0002","90","","110.107","0.001","90","","2343.05","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1827","0.048","","","0.096","0.1255","","","","","","0.777","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236908","9.0523","0.0002","9.4796","0.0003","15.3386","0.0004","101.215","0.002","96.659","0.002","117.266","0.002","1115.46","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1179","0.049","","","0.111","0.1356","","","","","","1.015","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236909","7.4345","0.0006","7.7857","0.0007","18.3205","0.0016","81.464","0.005","87.016","0.005","86.135","0.005","1045.36","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C52 H42 N6 O2 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.087","0.0459","","","0.1293","0.1549","","","","","","0.999","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236911","23.2883","0.0016","23.2883","0.0016","14.1304","0.0011","90","","90","","120","","6636.8","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H60 N4 O50 Pr4 -","- C60 H40 N4 O40 Pr4 -","- C180 H120 N12 O120 Pr12 -","3","0.5","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0489","0.0369","","","0.0888","0.0923","","","","","","1.021","","","","has coordinates","257468","2020-10-21","18:00:00",""
"7236912","13.649","0.006","14.334","0.006","7.994","0.003","90","","92.233","0.016","90","","1562.8","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Gd N O9.5 -","- C16 H9 Gd N O9.5 -","- C64 H36 Gd4 N4 O38 -","4","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0238","0.0206","","","0.0435","0.0445","","","","","","1.205","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7236913","9.4885","0.0011","9.5857","0.001","12.4176","0.0014","93.605","0.004","108.083","0.004","112.343","0.003","971.8","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Dy N O11 -","- C15 H11 Dy N O11 -","- C30 H22 Dy2 N2 O22 -","2","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0368","0.0342","","","0.0954","0.0974","","","","","","1.044","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7238040","7.538","0.0001","14.0607","0.0002","12.3766","0.0001","90","","103.32","0.0005","90","","1276.5","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","","0.71073","MoKα","","0.0453","0.0391","","","0.0929","0.0971","","","","","","1.057","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238041","7.68546","0.00013","14.1282","0.0002","12.49862","0.00017","90","","102.16","0.0015","90","","1326.67","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","x-ray","1.54184","CuKα","","0.0446","0.0393","","","0.1012","0.1074","","","","","","1.034","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238042","14.3343","0.0012","25.123","0.002","18.1924","0.0014","90","","90","","90","","6551.5","0.9","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H33 N5 O12 Zn3 -","- C51 H33 N5 O12 Zn3 -","- C204 H132 N20 O48 Zn12 -","4","0.5","","Yan, Peng; Yang, Jucai; Hao, Xiangying; Chen, Zhisheng; Shen, Guanhua; Zhao, Yanhua; Ma, Deyun; Zhu, Jiaxin","A microporous zinc‒organic framework with Lewis basic pyridyl sites for highly selective C2H2/CH4 and C2H2/CO2 gas separation","CrystEngComm","2020","22","2","275","282","10.1039/C9CE01481K","","","0.71073","MoKα","","0.1159","0.0519","","","0.0984","0.1145","","","","","","0.8","","","","has coordinates,has disorder","257466","2020-10-21","18:00:00",""
"7238043","5.21733","0.00004","9.11328","0.00007","14.35413","0.00011","90","","90.7911","0.0003","90","","682.431","0.009","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","2","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0405","0.0405","","","0.112","0.112","","","","","","1.17","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238044","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine dihydrate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0278","0.0278","","","0.0751","0.0751","","","","","","1.104","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238045","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ectoine","1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.1698","neutrons","","0.0327","0.0317","","","0.08","0.0806","","","","","","1.146","","","","has coordinates,has disorder","257471","2020-10-21","18:00:00",""
"7238046","6.4219","0.0012","10.741","0.002","13.507","0.003","90","","95.887","0.003","90","","926.8","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Kong, Lingbin; Huang, Rong; He, Haodan; Fan, Yunxiang; Lin, Jun; Yan, Shengjiao","Multi-component solvent-free cascade reaction of 2-cyanoacetamides: regioselective synthesis of pyridin-2-ones bearing quaternary centers","Green Chemistry","2020","22","1","256","264","10.1039/C9GC03692J","","","0.71073","MoKα","","0.1226","0.05","","","0.1048","0.1279","","","","","","0.9","","","","has coordinates","257574","2020-10-21","18:00:00",""
"7238047","7.3319","0.0011","11.5409","0.0016","16.169","0.002","90","","99.147","0.002","90","","1350.8","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Kong, Lingbin; Huang, Rong; He, Haodan; Fan, Yunxiang; Lin, Jun; Yan, Shengjiao","Multi-component solvent-free cascade reaction of 2-cyanoacetamides: regioselective synthesis of pyridin-2-ones bearing quaternary centers","Green Chemistry","2020","22","1","256","264","10.1039/C9GC03692J","","","0.71073","MoKα","","0.0799","0.0473","","","0.1176","0.1354","","","","","","1.02","","","","has coordinates","257574","2020-10-21","18:00:00",""
"7238533","12.3979","0.0003","8.9255","0.0004","10.8594","0.0005","90","","97.544","0.004","90","","1191.27","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 F N O7 P2 Zr -","- C5 F N O7 P2 Zr -","- C20 F4 N4 O28 P8 Zr4 -","4","1","","Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo","Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films","Journal of Materials Chemistry","2012","22","11","5098","","10.1039/c2jm15201k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08795","","4.93","","","","","","","has coordinates","244221","2020-10-21","18:00:00",""
"7238534","13.453","0.001","8.915","0.001","10.863","0.002","90","","106.51","0.01","90","","1249.1","0.3","373","","373","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 F N O7 P2 Zr -","- C6 F N O7 P2 Zr -","- C24 F4 N4 O28 P8 Zr4 -","4","1","","Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo","Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films","Journal of Materials Chemistry","2012","22","11","5098","","10.1039/c2jm15201k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06076","","4.61","","","","","","","has coordinates","244221","2020-10-21","18:00:00",""
"7238535","14.4786","0.0006","8.89","0.002","10.882","0.001","90","","93.86","0.02","90","","1397.5","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 F N O7 P2 Zr -","- C7 F N O7 P2 Zr -","- C28 F4 N4 O28 P8 Zr4 -","4","1","","Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo","Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films","Journal of Materials Chemistry","2012","22","11","5098","","10.1039/c2jm15201k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07569","","6.52","","","","","","","has coordinates","244221","2020-10-21","18:00:00",""
"7238536","26.2572","0.0017","7.2012","0.0003","10.3231","0.0005","90","","98.87","0.005","90","","1928.58","0.18","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 B F2 O4 -","- C21 H19 B F2 O4 -","- C84 H76 B4 F8 O16 -","4","0.5","","Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing","A mechanistic investigation of mechanochromic luminescent organoboron materials","Journal of Materials Chemistry","2012","22","33","17332","","10.1039/c2jm32809g","","","0.71073","MoKα","","0.0942","0.0541","","","0.1318","0.155","","","","","","1.05","","","","has coordinates","244222","2020-10-21","18:00:00",""
"7238537","10.6842","0.0007","7.2837","0.0004","12.8423","0.0007","90","","120.355","0.007","90","","862.39","0.11","291","2","291","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H17 B F2 O4 -","- C19 H17 B F2 O4 -","- C38 H34 B2 F4 O8 -","2","1","","Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing","A mechanistic investigation of mechanochromic luminescent organoboron materials","Journal of Materials Chemistry","2012","22","33","17332","","10.1039/c2jm32809g","","","1.54184","CuKα","","0.0807","0.0727","","","0.1812","0.1899","","","","","","1.009","","","","has coordinates","244222","2020-10-21","18:00:00",""
"7238538","21.1856","0.0012","7.1155","0.0004","10.3692","0.0006","90","","96.363","0.005","90","","1553.49","0.15","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C68 H60 B4 F8 O16 -","4","0.5","","Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing","A mechanistic investigation of mechanochromic luminescent organoboron materials","Journal of Materials Chemistry","2012","22","33","17332","","10.1039/c2jm32809g","","","0.71073","MoKα","","0.0642","0.0454","","","0.1163","0.1323","","","","","","1.047","","","","has coordinates","244222","2020-10-21","18:00:00",""
"7238539","7.5089","0.0004","14.414","0.0007","21.5562","0.001","90","","90","","90","","2333.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br3 N -","- C27 H24 Br3 N -","- C108 H96 Br12 N4 -","4","1","","Fang, Zhen; Chellappan, Vijila; Webster, Richard D.; Ke, Lin; Zhang, Tianfu; Liu, Bin; Lai, Yee-Hing","Bridged-triarylamine starburst oligomers as hole transporting materials for electroluminescent devices","Journal of Materials Chemistry","2012","22","30","15397","","10.1039/c2jm32840b","","","0.71073","MoKα","","0.0512","0.0373","","","0.0733","0.0771","","","","","","1.015","","","","has coordinates","244223","2020-10-21","18:00:00",""
"7238540","15.605","0.003","15.605","0.004","13.601","0.004","90","","90","","90","","3312.1","1.4","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C17 H24 N14 O2 Zn -","- C9 H3 N12 Zn -","- C36 H12 N48 Zn4 -","4","0.25","","Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min","Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites","Journal of Materials Chemistry","2012","22","34","17947","","10.1039/c2jm32990e","","","0.71069","MoKα","","0.0829","0.0523","","","0.1418","0.1498","","","","","","0.971","","","","has coordinates","244224","2020-10-21","18:00:00",""
"7238541","29.667","0.004","29.667","0.004","22.161","0.006","90","","90","","120","","16891","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C131 H204 N90 O23 Zn7 -","- C78 H72 N78 O6 Zn7 -","- C234 H216 N234 O18 Zn21 -","3","0.166667","","Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min","Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites","Journal of Materials Chemistry","2012","22","34","17947","","10.1039/c2jm32990e","","","0.71069","MoKα","","0.2034","0.1147","","","0.3185","0.382","","","","","","1.181","","","","has coordinates","244224","2020-10-21","18:00:00",""
"7238542","28.993","0.003","28.993","0.003","21.958","0.003","90","","90","","120","","15985","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C22 H35 Cl2 N15 O4 Zn2 -","- C9 H3 Cl2 N12 Zn2 -","- C162 H54 Cl36 N216 Zn36 -","18","0.5","","Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min","Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites","Journal of Materials Chemistry","2012","22","34","17947","","10.1039/c2jm32990e","","","0.71073","MoKα","","0.1032","0.0643","","","0.2026","0.222","","","","","","1.09","","","","has coordinates","244224","2020-10-21","18:00:00",""
"7238543","14.707","0.002","5.1858","0.0008","17.973","0.003","90","","90","","90","","1370.8","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 Co N4 -","- C18 H14 Co N4 -","- C72 H56 Co4 N16 -","4","1","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","0.71073","MoKα","","0.084","0.0535","","","0.1272","0.1457","","","","","","1.062","","","","has coordinates","244225","2020-10-21","18:00:00",""
"7238544","9.385","0.0009","13.304","0.0012","15.3654","0.0011","74.895","0.007","81.155","0.007","75.541","0.008","1785.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H36 Cl2 Co2 N8 -","- C43 H36 Cl2 Co2 N8 -","- C86 H72 Cl4 Co4 N16 -","2","1","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","1.54184","CuKα","","0.0967","0.0833","","0.0767","0.0728","0.0728","","","","","","1.1254","","","","has coordinates,has disorder","244225","2020-10-21","18:00:00",""
"7238545","19.416","0.005","5.1511","0.0012","14.878","0.004","90","","112.394","0.003","90","","1375.8","0.6","150.1","","150.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cu N4 -","- C18 H14 Cu N4 -","- C72 H56 Cu4 N16 -","4","1","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","0.7107","MoKα","","","0.0364","","","","0.105","","","","","","1.065","","","","has coordinates","244225","2020-10-21","18:00:00",""
"7238546","20.428","0.004","12.905","0.002","6.973","0.0012","90","","90","","90","","1838.2","0.6","150.1","","150.1","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C26 H18 N4 Ni -","- C26 H18 N4 Ni -","- C104 H72 N16 Ni4 -","4","0.5","","Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil","Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors","Journal of Materials Chemistry","2012","22","34","17967","","10.1039/c2jm33079b","","","0.7107","MoKα","","","0.0377","","","","0.0962","","","","","","1.072","","","","has coordinates","244225","2020-10-21","18:00:00",""
"7238547","15.3573","0.0003","7.4862","0.0001","27.068","0.0005","90","","103.435","0.001","90","","3026.79","0.09","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 Mg N6 O6 Si2 -","- C66 H74 Mg N6 O6 Si2 -","- C132 H148 Mg2 N12 O12 Si4 -","2","0.5","","Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka","Soluble porphyrin donors for small molecule bulk heterojunction solar cells","Journal of Materials Chemistry","2012","22","36","19258","","10.1039/c2jm33956k","","","1.54187","CuKα","","0.1096","0.0775","","","0.2148","0.2465","","","","","","1.033","","","","has coordinates","244226","2020-10-21","18:00:00",""
"7238548","10.7018","0.0002","16.4164","0.0003","16.4397","0.0003","102.654","0.001","98.991","0.001","95.304","0.001","2759.28","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","MgTIPSTEP-Ph","DiphenylethynylBistriisopropylsilylethynelPorphyrinMg","","- C60 H68 Mg N4 O2 Si2 -","- C60 H68 Mg N4 O2 Si2 -","- C120 H136 Mg2 N8 O4 Si4 -","2","1","","Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka","Soluble porphyrin donors for small molecule bulk heterojunction solar cells","Journal of Materials Chemistry","2012","22","36","19258","","10.1039/c2jm33956k","","","1.54187","CuKα","","0.2162","0.1206","","","0.3153","0.4209","","","","","","1.202","","","","has coordinates,has disorder","275222","2022-05-08","21:48:35",""
"7238549","10.7181","0.0013","17.865","0.003","41.906","0.004","90","","90","","90","","8024.1","1.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H35 F6 Ir N6 O0.5 P -","- C48 H35 F6 Ir N6 O0.5 P -","- C384 H280 F48 Ir8 N48 O4 P8 -","8","1","","Tordera, Daniel; Pertegás, Antonio; Shavaleev, Nail M.; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Grätzel, Michael; Nazeeruddin, Mohammad K.","Efficient orange light-emitting electrochemical cells","Journal of Materials Chemistry","2012","22","36","19264","","10.1039/c2jm33969b","","","0.71073","MoKα","","0.0552","0.0441","","","0.0777","0.0814","","","","","","1.174","","","","has coordinates","244227","2020-10-21","18:00:00",""
"7239596","24.7106","0.0015","24.7106","0.0015","23.2547","0.0014","90","","90","","90","","14199.6","1.5","100","","100","","","","","","","","","7","I -4","I -4","82","","","","- C13.68 H13.68 As4 Ce24 Na2 O214 W36 -","- C13.68 H13.68 As4 Ce24 Na2 O294 W36 -","- C27.36 H27.36 As8 Ce48 Na4 O588 W72 -","2","0.25","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.042","0.0326","","","0.067","0.0712","","","","","","1.019","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239597","18.6179","0.0013","19.6067","0.0015","27.947","0.002","99.61","0.004","105.262","0.004","108.594","0.004","8970.2","1.2","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1258","0.059","","","0.1233","0.1454","","","","","","1.015","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239598","11.9097","0.0007","15.2185","0.0008","21.8082","0.0013","90.152","0.003","101.47","0.003","101.06","0.003","3798.4","0.4","100.01","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C18 H18 As2 Ce12 Na12 O171.5 W18 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1101","0.0709","","","0.1719","0.1991","","","","","","1.056","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239599","18.4264","0.0012","19.3634","0.0012","26.7239","0.0015","105.118","0.003","98.139","0.003","112.226","0.002","8207.4","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C6 H6 As6 Ce12 Na30 O312 W54 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1086","0.0649","","","0.1513","0.1838","","","","","","1.054","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239602","51.7838","0.0017","28.8494","0.0013","6.281","0.0002","90","","90","","90","","9383.4","0.6","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 Co N6 O4 -","- C48 H28 Co N6 O4 -","- C384 H224 Co8 N48 O32 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0623","0.0611","","","0.1817","0.1834","","","","","","1.061","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239603","51.726","0.005","29.1071","0.0011","6.2678","0.0003","90","","90","","90","","9436.8","1.1","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 N6 O4 Zn -","- C48 H28 N6 O4 Zn -","- C384 H224 N48 O32 Zn8 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0776","0.0766","","","0.2262","0.2299","","","","","","1.085","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239604","7.8353","0.0002","29.6326","0.0009","24.7561","0.0009","90","","91.232","0.003","90","","5746.6","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Co2 N4 O9 -","- C48 H30 Co2 N4 O9 -","- C192 H120 Co8 N16 O36 -","4","1","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.078","0.0573","","","0.1517","0.1688","","","","","","0.94","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239605","22.7662","0.0011","12.1453","0.0005","24.9282","0.0011","90","","98.796","0.002","90","","6811.6","0.5","298","","294.9","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cu2 N8 O14 V5 -","- C20 H30 Cu2 N8 O14 V5 -","- C160 H240 Cu16 N64 O112 V40 -","8","1","","Tian, Hong-Rui; Liu, Yi-Wei; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Xiao-Hui; Sun, Xiu-Wei; Lu, Ying; Liu, Shu-Xia","A multicentre synergistic polyoxometalate-based metal‒organic framework for one-step selective oxidative cleavage of β-O-4 lignin model compounds","Green Chemistry","2020","22","1","248","255","10.1039/C9GC03626A","","","0.71073","MoKα","","0.06","0.0455","","","0.0971","0.1034","","","","","","1.095","","","","has coordinates,has disorder","257575","2020-10-21","18:00:00",""
"7239625","16.538","0.005","8.3933","0.0015","7.205","0.0018","90","","101.82","0.03","90","","978.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-bis(4-fluorophenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C26 H12 F2 N2 O4 -","- C26 H12 F2 N2 O4 -","- C52 H24 F4 N4 O8 -","2","0.5","","Komissarova, Ekaterina A.; Dominskiy, Dmitry I.; Zhulanov, Vladimir E.; Abashev, George G.; Siddiqui, Afzal; Singh, Surya P.; Sosorev, Andrey Yu; Paraschuk, Dmitry Yu","Unraveling the unusual effect of fluorination on crystal packing in an organic semiconductor.","Physical chemistry chemical physics : PCCP","2020","22","3","1665","1673","10.1039/c9cp05455c","","","0.71073","MoKα","","0.0897","0.0606","","","0.1658","0.1963","","","","","","1.054","","","","has coordinates","247835","2020-10-21","18:00:00",""
"7239626","10.4782","0.0006","15.198","0.0009","18.5232","0.0009","90","","114.6","0.003","90","","2682","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Sm -","- C28 H16 N2 O9 Sm -","- C112 H64 N8 O36 Sm4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0805","0.0358","","","0.0551","0.0581","","","","","","1.039","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239627","10.415","0.0004","15.1696","0.0006","18.3689","0.0005","90","","114.362","0.002","90","","2643.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Dy N2 O9 -","- C28 H16 Dy N2 O9 -","- C112 H64 Dy4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0423","0.0342","","","0.0898","0.0936","","","","","","1.093","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239628","10.4591","0.0004","15.2111","0.0006","18.4571","0.0006","90","","114.593","0.002","90","","2670.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Gd N2 O9 -","- C28 H16 Gd N2 O9 -","- C112 H64 Gd4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0543","0.0376","","","0.0845","0.0902","","","","","","1.031","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239629","10.433","0.0006","15.2061","0.0009","18.4169","0.0009","90","","114.466","0.003","90","","2659.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Tb -","- C28 H16 N2 O9 Tb -","- C112 H64 N8 O36 Tb4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.057","0.0409","","","0.1015","0.1078","","","","","","1.084","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239630","10.4652","0.0004","15.1944","0.0006","18.4885","0.0006","90","","114.554","0.002","90","","2674.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Eu N2 O11 -","- C28 H20 Eu N2 O11 -","- C112 H80 Eu4 N8 O44 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0393","0.031","","","0.0737","0.0793","","","","","","1.032","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239634","8.1407","0.0003","8.7295","0.0003","15.6983","0.0005","78.8978","0.0011","79.5625","0.001","88.0006","0.0011","1076.6","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","1","0.5","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0479","0.0373","","","0.086","0.092","","","","","","1.029","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239635","35.2528","0.0006","15.7804","0.0003","13.089","0.0002","90","","109.954","0.001","90","","6844.3","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 K2 N10 O15.25 S2 -","- C24 H31 K2.002 N10 O15.25 S2 -","- C192 H248 K16.016 N80 O122 S16 -","8","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.083","0.0474","","","0.096","0.1163","","","","","","1.062","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239636","7.7666","0.0007","10.535","0.0009","20.5005","0.0017","90","","90.853","0.003","90","","1677.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","rgtm30m","","","- C12 H18 N5 Na O8 S -","- C12 H18 N5 Na O8 S -","- C48 H72 N20 Na4 O32 S4 -","4","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0767","0.0604","","","0.1285","0.1392","","","","","","1.106","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239637","7.207","0.0014","18.958","0.004","6.43","0.0013","90","","107.09","0.03","90","","839.7","0.3","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper coordination polymer","Cu-PDA","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","1","","Muthukumar, Pandi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Polymorphs of a copper coordination compound: interlinking active sites enhance the electrocatalytic activity of the coordination polymer compared to the coordination complex","CrystEngComm","2020","22","3","425","429","10.1039/C9CE01698H","","","0.61","synchrotron","","0.0346","0.033","","","0.0968","0.0976","","","","","","1.122","","","","has coordinates","257496","2020-10-21","18:00:00",""
"7239638","14.582","0.004","15.677","0.005","25.158","0.008","87.217","0.006","75.768","0.006","78.204","0.007","5457","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H106 Cl4 Cu4 Mn2 N22 O29 -","- C102 H100 Cl4 Cu4 Mn2 N22 O29 -","- C204 H200 Cl8 Cu8 Mn4 N44 O58 -","2","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","","0.71073","MoKα","","0.3005","0.0834","","","0.1701","0.2585","","","","","","0.937","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239639","12.3021","0.0004","12.3021","0.0004","42.415","0.002","90","","90","","90","","6419.2","0.4","130","0.1","130","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C8 H8 Br4 Na2 O8 -","- C8 H8 Br4 Na2 O8 -","- C128 H128 Br64 Na32 O128 -","16","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","x-ray","0.71073","MoKα","","0.0444","0.0364","","","0.0864","0.0903","","","","","","1.02","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239646","7.3955","0.0005","9.6559","0.0007","22.6536","0.0015","90","","96.448","0.002","90","","1607.47","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.074","0.0508","","","0.1354","0.1507","","","","","","1.017","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239647","7.4907","0.0006","9.7684","0.0008","10.3754","0.001","88.424","0.003","75.466","0.003","86.31","0.003","733.32","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C28 H38 N6 O4 -","2","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0616","0.0467","","","0.1271","0.1414","","","","","","1.05","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239648","7.5227","0.0003","15.5942","0.0006","13.0925","0.0005","90","","94.426","0.002","90","","1531.31","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4.08 -","- C15 H19 N3 O4.079 -","- C60 H76 N12 O16.316 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0527","0.0417","","","0.1177","0.1292","","","","","","0.919","","","","has coordinates,has disorder","257456","2020-10-21","18:00:00",""
"7239649","7.6003","0.0004","19.5864","0.0012","10.5405","0.0006","90","","93.758","0.002","90","","1565.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0506","0.0379","","","0.091","0.0994","","","","","","1.027","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239650","17.998","0.002","7.5198","0.0009","18.74","0.002","90","","97.185","0.003","90","","2516.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl N3 O2 -","- C12 H14 Cl N3 O2 -","- C96 H112 Cl8 N24 O16 -","8","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0691","0.0489","","","0.1075","0.1148","","","","","","1.047","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239651","8.4198","0.0003","10.7476","0.0003","16.418","0.0004","85.635","0.002","76.008","0.002","71.521","0.003","1367.3","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 K2 N2 O7 S4 -","- C17 H36 K2 N2 O7 S4 -","- C34 H72 K4 N4 O14 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.027","0.0261","","","0.0664","0.0672","","","","","","1.062","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239652","13.2315","0.0004","18.1852","0.0006","10.9088","0.0004","90","","97.753","0.003","90","","2600.85","0.15","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 N2 O6 Rb2 S4 -","- C16 H32 N2 O6 Rb2 S4 -","- C64 H128 N8 O24 Rb8 S16 -","4","0.5","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0432","0.0317","","","0.0551","0.0583","","","","","","1.04","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239653","8.5349","0.0006","10.0169","0.0009","11.851","0.0007","101.882","0.007","101.773","0.006","107.864","0.007","904.01","0.13","99.98","0.11","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C13 H25 N2 O4 Rb S2 -","- C13 H25 N2 O4 Rb S2 -","- C26 H50 N4 O8 Rb2 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0493","0.0374","","","0.0646","0.069","","","","","","1.054","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239654","9.218","0.002","9.96","0.002","11.516","0.002","107.997","0.003","97.814","0.004","112.553","0.003","888.8","0.3","295.15","0.02","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O2 S2 -","- C13 H28 N2 O2 S2 -","- C26 H56 N4 O4 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","","0.71073","MoKα","","0.0657","0.0561","","","0.1394","0.1453","","","","","","1.056","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239655","7.7711","0.0004","9.8984","0.0004","13.0562","0.0005","68.661","0.004","76.137","0.004","76.487","0.004","896.21","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O5 S2 -","- C13 H28 N2 O5 S2 -","- C26 H56 N4 O10 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.0745","0.0721","","","0.2053","0.2063","","","","","","1.256","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239656","10.2515","0.0005","10.3826","0.0005","13.8953","0.0006","84.941","0.004","88.977","0.004","60.813","0.005","1285.63","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cs2 N2 O6 S4 -","- C16 H32 Cs2 N2 O6 S4 -","- C32 H64 Cs4 N4 O12 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0393","0.0324","","","0.0559","0.0593","","","","","","1.027","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239657","29.002","0.003","17.6197","0.0015","16.9351","0.0015","90","","90","","90","","8653.9","1.4","175","2","175","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H44 Cu10 I8 N8 O10 -","- C36 H44 Cu10 I8 N8 O10 -","- C144 H176 Cu40 I32 N32 O40 -","4","0.25","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","0.71073","MoKα","","0.0384","0.0315","","","0.0896","0.0926","","","","","","1.05","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239658","63.596","0.002","19.6651","0.0007","41.5695","0.0014","90","","130.571","0.001","90","","39490","2","175","2","175","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H80 Cu8 I4 N8 O16 -","- C112 H80 Cu8 I4 N8 O16 -","- C896 H640 Cu64 I32 N64 O128 -","8","1","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.0973","0.0894","","","0.3184","0.3334","","","","","","1.065","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239659","49.2699","0.0009","49.2699","0.0009","35.3426","0.0014","90","","90","","120","","74301","4","175","2","175","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H20 Cu6 I4 N4 O10 -","- C24 H20 Cu6 I4 N4 O10 -","- C432 H360 Cu108 I72 N72 O180 -","18","0.5","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.1111","0.0684","","","0.1879","0.2071","","","","","","1.003","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239660","12.6209","0.0006","15.82","0.0004","30.3571","0.0015","90","","90","","90","","6061.2","0.4","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/dopamine metastable complex","","","- C44 H75 Cl N25 O27.5 -","- C44 H48 Cl N25 O27.5 -","- C176 H192 Cl4 N100 O110 -","4","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1136","0.0947","","","0.257","0.282","","","","","","1.019","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239661","50.711","0.002","50.711","0.002","12.5325","0.0008","90","","90","","120","","27911","2","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/dopamine complex","","","- C44 H76 Cl N25 O28 -","- C44 H48 Cl N25 O27.916 -","- C792 H864 Cl18 N450 O502.488 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1104","0.0938","","","0.2792","0.3057","","","","","","1.105","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239662","48.442","0.002","48.442","0.002","12.4117","0.0004","90","","90","","120","","25223.5","1.7","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","'cucurbit[6]uril/dopamine complex - dried in air'","","","- C44 H62.67 Cl N25 O21.33 -","- C44 H48 Cl N25 O20.9493 -","- C792 H864 Cl18 N450 O377.088 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1379","0.1165","","","0.3189","0.3422","","","","","","1.129","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239666","11.5531","0.0015","14.3534","0.0017","19.165","0.002","90","","102.03","0.003","90","","3108.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.4 H36.2 Cd N4 O4.7 -","- C33.4 H36.2 Cd N4 O4.7 -","- C133.6 H144.8 Cd4 N16 O18.8 -","4","0.5","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0705","0.0609","","","0.1781","0.1918","","","","","","1.089","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239667","6.7975","0.0008","11.3175","0.0013","14.7971","0.0017","70.989","0.002","77.811","0.002","87.456","0.002","1051.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cd N2 O5 -","- C23 H20 Cd N2 O5 -","- C46 H40 Cd2 N4 O10 -","2","1","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0227","0.0209","","","0.0583","0.0594","","","","","","1.006","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239669","18.4449","0.001","10.4561","0.0005","3.8127","0.0002","90","","93.617","0.002","90","","733.86","0.07","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H10 F Ga N2 O8 -","- C14 H10 F Ga N2 O8 -","- C28 H20 F2 Ga2 N4 O16 -","2","0.25","","Wu, Junbiao; Lou, Luqi; Sun, Huaying; Tao, Chunyao; Li, Teng; Wang, Zhuopeng; Zhang, Xia; Li, Jiyang","Photochromic inorganic‒organic complex derived from low-cost deep eutectic solvents with tunable photocurrent responses and photocatalytic properties","CrystEngComm","2020","22","6","1078","1085","10.1039/C9CE01727E","","","0.71073","MoKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.176","","","","has coordinates","257474","2020-10-21","18:00:00",""
"7239670","9.0134","0.0004","9.0528","0.0004","9.6602","0.0005","70.923","0.002","76.94","0.002","75.474","0.002","712.15","0.06","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C32 H26 N6 O8 -","2","1","","Saini, Sanjeev; Mayank,; Kaur, Navneet; Singh, Narinder","A cytochrome c-urea functionalized dipeptide conjugate: an efficient HBD framework to synthesize 4H-pyrans via one-pot multicomponent reaction","Green Chemistry","2020","22","3","956","968","10.1039/C9GC03512E","","","0.71073","MoKα","","0.0559","0.044","","","0.1111","0.1239","","","","","","1.096","","","","has coordinates","257626","2020-10-21","18:00:00",""
"7239671","11.143","0.006","14.102","0.007","16.943","0.009","105.376","0.008","96.152","0.009","105.879","0.009","2422","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","1","0.5","","Zhang, Jie; Zhou, Wendi; Zhai, Lijun; Niu, Xiaoyan; Hu, Tuoping","A stable dual-emitting dye@LMOF luminescence probe for the rapid and visible detection of organophosphorous pesticides in aqueous media","CrystEngComm","2020","22","6","1050","1056","10.1039/C9CE01846H","","","0.71073","MoKα","","0.0994","0.0477","","","0.1075","0.1263","","","","","","0.887","","","","has coordinates","257472","2020-10-21","18:00:00",""
"7239672","9.582","0.0009","14.7653","0.0013","16.1241","0.0012","90","","90","","90","","2281.3","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Mn N9 O4 -","- C17 H21 Cl2 Mn N9 O4 -","- C68 H84 Cl8 Mn4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0306","0.0295","","","0.0726","0.0733","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239673","9.5465","0.0006","14.6856","0.001","15.9616","0.0012","90","","90","","90","","2237.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Co N9 O4 -","- C17 H21 Cl2 Co N9 O4 -","- C68 H84 Cl8 Co4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0271","0.0248","","","0.06","0.0613","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239674","9.396","0.004","14.669","0.006","16.074","0.007","90","","90","","90","","2215.5","1.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Fe N9 O4 -","- C17 H21 Cl2 Fe N9 O4 -","- C68 H84 Cl8 Fe4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0351","0.0312","","","0.0741","0.0765","","","","","","0.992","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239675","10.2032","0.0003","12.8833","0.0005","19.1031","0.0006","80.2128","0.0017","79.7746","0.0012","80.6301","0.0016","2412.39","0.14","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl4 Fe2 N18 O17 -","- C34 H42 Cl4 Fe2 N18 O17 -","- C68 H84 Cl8 Fe4 N36 O34 -","2","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0623","0.0576","","","0.1663","0.1719","","","","","","1.019","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239676","9.4888","0.0007","14.7278","0.0009","15.9298","0.001","90","","90","","90","","2226.2","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 Ni O4 -","- C17 H21 Cl2 N9 Ni O4 -","- C68 H84 Cl8 N36 Ni4 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0242","0.0228","","","0.0548","0.0553","","","","","","1.058","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239677","9.5605","0.0008","14.6922","0.0011","15.96","0.0014","90","","90","","90","","2241.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 O4 Zn -","- C17 H21 Cl2 N9 O4 Zn -","- C68 H84 Cl8 N36 O16 Zn4 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0727","0.0462","","","0.0835","0.0956","","","","","","1.015","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239678","4.7829","0.0014","11.669","0.004","21.83","0.007","90","","93.778","0.012","90","","1215.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid/1,2-Phenylendiamine","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Tier, Aniele Z.; Wust, Keli M.; Vieira, Jean C. B.; Sardo, Mariana; Čendak, Tomaž; Mafra, Luís; Rocha, João; Gindri, Izabelle M.; Hörner, Manfredo; Frizzo, Clarissa P.","Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine","CrystEngComm","2020","22","4","708","719","10.1039/C9CE01650C","","","0.71073","MoKα","","0.0544","0.0393","","","0.0993","0.1084","","","","","","1.043","","","","has coordinates","257455","2020-10-21","18:00:00",""
"7239679","27.453","0.006","16.474","0.003","20.208","0.004","90","","104.43","0.03","90","","8851","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Ce Cu6 I9 N8 O12 -","- C68 H48 Ce Cu6 I9 N8 O12 -","- C272 H192 Ce4 Cu24 I36 N32 O48 -","4","1","","Liu, Jian-Jun; You, Ming-Hua; Li, Meng-Hua; Huang, Chang-Cang; Lin, Mei-Jin","A heterometallic D‒A hybrid heterostructural framework with enhanced visible-light photocatalytic properties","CrystEngComm","2020","22","3","420","424","10.1039/C9CE01582E","","","0.71073","MoKα","","0.1421","0.0703","","","0.1639","0.1951","","","","","","1.056","","","","has coordinates","257493","2020-10-21","18:00:00",""
"7239680","6.5011","0.0008","10.2497","0.0012","11.0964","0.0013","97.74","0.01","99.84","0.011","90.131","0.01","721.64","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","CBNT","carbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)]","","- C5 H14 N14 O7 -","- C5 H14 N14 O7 -","- C10 H28 N28 O14 -","2","1","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","x-ray","0.71073","MoKα","","0.1036","0.0597","","","0.1394","0.1664","","","","","","1.054","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239681","6.0311","0.0002","6.9489","0.0002","11.1061","0.0004","77.437","0.001","89.786","0.001","75.146","0.001","438.46","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","1","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0396","0.0353","","","0.0905","0.0947","","","","","","1.027","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239682","5.246","0.0002","17.8848","0.0007","6.3117","0.0002","90","","112.398","0.002","90","","547.51","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N10 O6 -","- C4 H8 N10 O6 -","- C8 H16 N20 O12 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.037","0.0342","","","0.0877","0.0904","","","","","","1.058","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239683","12.991","0.0007","4.6699","0.0002","14.4974","0.0007","90","","95.171","0.002","90","","875.93","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","H2BNT.2DMSO","","","- C8 H16 N10 O6 S2 -","- C8 H16 N10 O6 S2 -","- C16 H32 N20 O12 S4 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0482","0.0431","","","0.1215","0.1267","","","","","","1.047","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239684","23.5305","0.0006","18.3481","0.0005","22.9597","0.0006","90","","110.077","0.0012","90","","9310.3","0.4","296","2","296.15","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C37 H29 Co2 N7 O11 Si -","- C37 H29 Co2 N7 O11 Si -","- C296 H232 Co16 N56 O88 Si8 -","8","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0547","0.0415","","","0.1131","0.1223","","","","","","1.04","","","","has coordinates","257495","2020-10-21","18:00:00",""
"7239685","13.1934","0.0007","25.825","0.0014","23.1357","0.0012","90","","91.599","0.003","90","","7879.7","0.7","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Co3 N7 O22 Si2 -","- C65 H53 Co3 N7 O22 Si2 -","- C260 H212 Co12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0667","0.0464","","","0.12","0.1332","","","","","","1.019","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239686","13.3181","0.0012","26.176","0.003","23.309","0.0019","90","","93.237","0.003","90","","8112.9","1.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Cd3 N7 O22 Si2 -","- C65 H53 Cd3 N7 O22 Si2 -","- C260 H212 Cd12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0792","0.0477","","","0.1201","0.1303","","","","","","1.07","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239687","10.539","0.0003","15.4431","0.0004","11.3497","0.0003","90","","105.214","0.001","90","","1782.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C76 H108 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.045","0.0368","","","0.0965","0.1025","","","","","","1.012","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239688","14.9094","0.0006","12.1019","0.0005","10.5363","0.0005","90","","107.758","0.001","90","","1810.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0466","0.0372","","","0.0986","0.1052","","","","","","1.04","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239689","9.4774","0.0004","12.916","0.0006","15.3582","0.0007","90","","99.847","0.001","90","","1852.3","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0455","0.0367","","","0.1086","0.1157","","","","","","1.045","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239690","19.645","0.004","15.735","0.003","14.349","0.003","90","","114.347","0.007","90","","4041","1.4","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0767","0.0533","","","0.1496","0.1646","","","","","","1.122","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239691","18.8607","0.0008","15.592","0.0007","14.1742","0.0006","90","","109.206","0.001","90","","3936.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0771","0.0459","","","0.1276","0.1505","","","","","","1","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239692","10.5361","0.0006","11.2474","0.0006","16.3452","0.001","90","","100.077","0.002","90","","1907.09","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O3 S -","- C19 H24 F3 N O3 S -","- C76 H96 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0581","0.0428","","","0.1216","0.1326","","","","","","1.08","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239693","12.0138","0.0006","12.648","0.0006","13.5487","0.0007","107.167","0.002","111.066","0.002","97.215","0.002","1772.5","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O3 S -","- C18 H24 N2 O3 S -","- C72 H96 N8 O12 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.075","0.0466","","","0.1128","0.1264","","","","","","1.005","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239694","6.6214","0.0014","10.2453","0.0017","13.391","0.002","91.638","0.014","96.14","0.017","100.447","0.016","887.2","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C38 H54 N2 O4 S2 -","2","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","x-ray","1.54184","CuKα","","0.062","0.0422","","","0.1183","0.135","","","","","","0.983","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239695","11.0788","0.0005","12.2658","0.0006","12.9608","0.0006","90","","108.438","0.001","90","","1670.84","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0589","0.0449","","","0.1215","0.1321","","","","","","0.993","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239696","13.3372","0.0006","6.7727","0.0003","21.8857","0.001","90","","101.262","0.002","90","","1938.84","0.15","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H28 N2 O5 S -","- C18 H28 N2 O5 S -","- C72 H112 N8 O20 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0659","0.0476","","","0.1037","0.1121","","","","","","0.986","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239697","19.5823","0.0013","15.69","0.001","14.2997","0.001","90","","114.189","0.002","90","","4007.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0745","0.0501","","","0.1439","0.1607","","","","","","1.135","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239698","10.5236","0.0003","13.9711","0.0004","14.1761","0.0004","78.441","0.001","85.252","0.001","73.432","0.001","1956.48","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 N O2 S -","- C21 H31 N O2 S -","- C84 H124 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0652","0.0453","","","0.1152","0.1265","","","","","","1.016","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239699","11.0703","0.0005","12.2683","0.0005","13.2315","0.0006","107.558","0.002","90.903","0.002","102.794","0.002","1664.16","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C68 H80 F12 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0822","0.0499","","","0.1146","0.1287","","","","","","1.014","","","","has coordinates,has disorder","257469","2020-10-21","18:00:00",""
"7239700","4.7609","0.0005","8.472","0.001","23.813","0.002","90","","92.392","0.007","90","","959.64","0.17","250","","250","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H20 Cl N -","- C9 H10 Cl0.5 N0.5 -","- C36 H40 Cl2 N2 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.0837","0.0603","","","0.1927","0.2033","","","","","","1.112","","","","has coordinates,has disorder","257492","2020-10-21","18:00:00",""
"7239701","5.9346","0.0006","11.9374","0.0014","13.4258","0.0015","73.485","0.009","85.966","0.008","82.697","0.008","903.91","0.18","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N O2 -","- C22 H22 N O2 -","- C44 H44 N2 O4 -","2","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.1615","0.1032","","","0.2683","0.3299","","","","","","1.12","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239702","5.8479","0.0003","8.0949","0.0004","40.0427","0.0014","90","","91.972","0.003","90","","1894.43","0.15","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1006","0.0901","","","0.2172","0.2224","","","","","","1.295","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239703","17.6232","0.0019","5.4878","0.0006","20.948","0.002","90","","108.417","0.007","90","","1922.2","0.4","250","2","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1393","0.0685","","","0.1406","0.1734","","","","","","0.992","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239704","30.706","0.002","9.6913","0.0007","11.0426","0.0009","90","","90","","90","","3286.1","0.4","296.4","0.8","296.4","0.8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.1443","0.0687","","","0.168","0.2141","","","","","","0.961","","","","has coordinates,has disorder","257489","2020-10-21","18:00:00",""
"7239705","11.725","0.001","6.1271","0.0004","16.0527","0.0015","90","","99.628","0.009","90","","1136.99","0.16","294","0.3","294","0.3","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H18 N O4 -","- C9 H18 N O4 -","- C36 H72 N4 O16 -","4","1","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.051","0.0429","","","0.1064","0.1141","","","","","","1.088","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239706","11.5328","0.001","6.1123","0.0005","16.0138","0.0014","90","","99.78","0.009","90","","1112.44","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H36 N2 O8 -","- C18 H36 N2 O8 -","- C36 H72 N4 O16 -","2","0.5","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0427","0.0398","","","0.0997","0.1026","","","","","","1.084","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239707","9.5719","0.0007","30.798","0.002","10.9331","0.0009","90","","90","","90","","3223","0.4","153","0.7","153","0.7","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0883","0.0638","","","0.1403","0.1609","","","","","","1.094","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239708","25.482","0.004","10.5445","0.0013","11.8015","0.0013","90","","90","","90","","3171","0.7","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H15 Cl N4 O4 -","- C14 H15 Cl N4 O4 -","- C112 H120 Cl8 N32 O32 -","8","0.5","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.1068","0.0887","","","0.2646","0.2899","","","","","","1.162","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239709","15.144","0.002","7.7696","0.001","11.1165","0.0014","90","","106.259","0.014","90","","1255.7","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","x-ray","0.71073","MoKα","","0.0356","0.0315","","","0.0807","0.0839","","","","","","1.03","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239710","11.4937","0.0006","14.6527","0.0007","22.6545","0.0006","71.776","0.003","87.979","0.003","85.994","0.004","3614.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Cd2 Cl4 N16 O25 -","- C56 H64 Cd2 Cl4 N16 O25 -","- C112 H128 Cd4 Cl8 N32 O50 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","1.54184","CuKα","","0.0628","0.0558","","","0.1437","0.1492","","","","","","1.032","","","","has coordinates,has disorder","257451","2020-10-21","18:00:00",""
"7239711","9.8814","0.0003","14.19","0.0004","15.7164","0.0005","94.95","0.003","91.893","0.003","100.06","0.003","2159.13","0.12","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36.8 H34 Cd N8.4 O6 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.0591","0.0551","","","0.1377","0.1399","","","","","","1.065","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239712","9.8572","0.0005","14.2441","0.0007","15.6512","0.0009","96.235","0.004","94.357","0.004","100.569","0.004","2137.1","0.2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cd N8 O9 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.075","0.063","","","0.1472","0.1511","","","","","","1.108","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239713","8.486","0.001","15.1787","0.0018","16.604","0.002","90","","97.43","0.004","90","","2120.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 S Se -","- C23 H20 O4 S Se -","- C92 H80 O16 S4 Se4 -","4","1","","Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng","General sulfone construction via sulfur dioxide surrogate control","Green Chemistry","2020","22","2","322","326","10.1039/C9GC03841H","","","0.71073","MoKα","","0.0582","0.0437","","","0.1134","0.1229","","","","","","1.03","","","","has coordinates","257593","2020-10-21","18:00:00",""
"7239714","11.2374","0.0001","10.3578","0.0001","16.9587","0.0001","90","","90","","90","","1973.9","0.03","292.7","0.6","292.7","0.6","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C88 H80 O16 S8 -","8","1","","Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng","General sulfone construction via sulfur dioxide surrogate control","Green Chemistry","2020","22","2","322","326","10.1039/C9GC03841H","","x-ray","1.54184","CuKα","","0.0351","0.034","","","0.0916","0.0927","","","","","","1.031","","","","has coordinates","257593","2020-10-21","18:00:00",""
"7239715","15.4973","0.0003","10.5001","0.0002","9.92584","0.00018","90","","90.3156","0.0016","90","","1615.14","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O2 -","- C19 H16 F3 N O2 -","- C76 H64 F12 N4 O8 -","4","1","","Xu, Zhongnan; Huang, Zhixing; Li, Yueheng; Kuniyil, Rositha; Zhang, Chao; Ackermann, Lutz; Ruan, Zhixiong","Catalyst-free, direct electrochemical synthesis of annulated medium-sized lactams through C‒C bond cleavage","Green Chemistry","2020","22","4","1099","1104","10.1039/C9GC03901E","","x-ray","1.54184","CuKα","","0.0418","0.0392","","","0.104","0.1068","","","","","","1.053","","","","has coordinates","257589","2020-10-21","18:00:00",""
"7239716","20.3378","0.001","20.3378","0.001","18.3367","0.0011","90","","90","","90","","7584.5","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C336 H352 N32 O32 -","16","1","","Li, Jianxiao; Yu, Junsheng; Xiong, Wenfang; Tang, Hao; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng","A palladium-catalyzed oxidative aminocarbonylation reaction of alkynone O-methyloximes with amines and CO in PEG-400","Green Chemistry","2020","22","2","465","470","10.1039/C9GC03562A","","x-ray","0.71073","MoKα","","0.0805","0.0598","","","0.141","0.1522","","","","","","1.063","","","","has coordinates","257594","2020-10-21","18:00:00",""
"7239717","8.3885","0.0004","8.501","0.0004","12.0706","0.0006","106.955","0.001","105.901","0.001","100.707","0.001","758.1","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","1","0.5","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0246","0.0226","","","0.0618","0.0634","","","","","","1.057","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239718","17.3","0.0002","17.3","0.0002","14.446","0.0003","90","","90","","90","","4323.54","0.11","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C32 H80 Gd9 N16 O50 -","- C32 H80 Gd9 N16 O50 -","- C64 H160 Gd18 N32 O100 -","2","0.25","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0253","0.0236","","","0.0563","0.0573","","","","","","1.033","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239719","18.4916","0.0016","18.4916","0.0016","21.4412","0.0019","90","","90","","90","","7331.6","1.1","296","2","296.15","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C48 H32 Gd12 N16 O64 -","- C48 H32 Gd12 N16 O64 -","- C96 H64 Gd24 N32 O128 -","2","0.125","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0564","0.0506","","","0.1429","0.1467","","","","","","1.038","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239725","11.8376","0.0002","19.8062","0.0004","11.5994","0.0003","90","","93.465","0.001","90","","2714.6","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu N4 O6 -","- C31 H22 Cu N4 O6 -","- C124 H88 Cu4 N16 O24 -","4","1","","Huang, Chao; Zhu, Kaifang; Lu, Guizhen; Zhang, Yingying; Wang, Dandan; Zhang, Dianbo; Mi, Liwei; Hou, Hongwei","Oriented assembly of copper metal‒organic framework membranes as tandem catalysts to enhance C‒H hydroxyalkynylation reactions with regiocontrol","CrystEngComm","2020","22","4","802","810","10.1039/C9CE01719D","","","0.71073","MoKα","","0.0788","0.0697","","","0.1911","0.2012","","","","","","1.054","","","","has coordinates","257454","2020-10-21","18:00:00",""
"7239726","32.816","0.012","9.466","0.005","33.049","0.013","90","","118.73","0.03","90","","9002","7","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C34 H24 Br2 Co2 N6 O8 -","- C34 H24 Br2 Co2 N6 O8 -","- C272 H192 Br16 Co16 N48 O64 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0531","0.0338","","","0.078","0.0843","","","","","","1.044","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239727","19.47","0.003","11.53","0.015","29.73","0.004","90","","107.15","0.009","90","","6377","8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 Co3 N12 O16 S2 -","- C52 H46 Co3 N12 O16 S2 -","- C208 H184 Co12 N48 O64 S8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0953","0.0803","","","0.1981","0.2053","","","","","","1.174","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239728","52.46","0.007","7.211","0.001","19.47","0.003","90","","90","","90","","7365.3","1.8","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C112 H106 Co5 N28 O28 -","- C112 H106 Co5 N28 O28 -","- C224 H212 Co10 N56 O56 -","2","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0565","0.0352","","","0.07","0.072","","","","","","1.099","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239729","33.563","0.019","12.204","0.004","10.119","0.004","90","","90","","90","","4145","3","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C17 H14 Co N4 O4 -","- C17 H14 Co N4 O4 -","- C136 H112 Co8 N32 O32 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0407","0.0374","","","0.1016","0.1036","","","","","","1.057","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239730","7.1396","0.0018","15.021","0.004","17.652","0.005","90","","96.825","0.004","90","","1879.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N4 O7 -","- C17 H24 N4 O7 -","- C68 H96 N16 O28 -","4","1","","Appiagyei, Benjamin; Bhatia, Souful; Keeney, Gabriela L.; Dolmetsch, Troy; Jackson, James E.","Electroactivated alkylation of amines with alcohols via both direct and indirect borrowing hydrogen mechanisms","Green Chemistry","2020","22","3","860","869","10.1039/C9GC03747K","","","0.71073","MoKα","","0.1038","0.0637","","","0.1688","0.2027","","","","","","1.028","","","","has coordinates,has disorder","257628","2020-10-21","18:00:00",""
"7239740","7.4239","0.0014","7.4239","0.0014","13.169","0.003","90","","90","","90","","725.8","0.3","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co0.69 Cs1.29 Ge1.81 O5 -","- Co0.691 Cs1.2858 Ge1.809 O5 -","- Co2.764 Cs5.1432 Ge7.236 O20 -","4","0.5","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0217","0.0206","","","0.0514","0.0518","","","","","","1.062","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239741","8.9926","0.0004","5.4599","0.0002","9.3958","0.0006","90","","91.5928","0.0018","90","","461.14","0.04","301","2","301","2","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Co0.5 Cs O4 Si1.5 -","- Co0.5 Cs O4 Si1.5 -","- Co2 Cs4 O16 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0428","0.0457","","","","","","1.15","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239742","8.996","0.002","5.45","0.001","9.381","0.002","90","","90.709","0.017","90","","459.9","0.16","301","2","301","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co2 Cs3.44 O16 Rb0.56 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0345","0.0309","","","0.0706","0.0741","","","","","","1.091","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239743","7.354","0.0006","7.354","0.0006","13.1122","0.0011","90","","90","","90","","709.13","0.1","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co Cs2 Ge4 O10 -","- Co Cs2 Ge4 O10 -","- Co2 Cs4 Ge8 O20 -","2","0.25","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0248","0.0235","","","0.0651","0.0661","","","","","","1.221","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239750","10.51","0.003","11.377","0.003","32.058","0.009","90","","93.828","0.007","90","","3824.7","1.8","123","2","123","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 O4 Si2 -","- C40 H58 O4 Si2 -","- C160 H232 O16 Si8 -","4","1","","Ohno, Shohei; Avena, Ramon Francisco; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Thermal [2 + 2]-cycloaddition between silylalkynes and allenylphenols followed by the nucleophilic addition of water: metal-free and economical synthesis of arylcyclobutenals","Green Chemistry","2020","22","4","1220","1228","10.1039/C9GC04184B","","x-ray","1.54178","CuKα","","0.1053","0.0689","","","0.2056","0.2602","","","","","","1.039","","","","has coordinates","257586","2020-10-21","18:00:00",""
"7239751","6.2629","0.0011","18.353","0.003","22.063","0.005","90","","92.471","0.007","90","","2533.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 S Se -","- C30 H25 N O2 S Se -","- C120 H100 N4 O8 S4 Se4 -","4","1","","Dutta, Shubham; Prabagar, B.; Vanjari, Rajeshwer; Gandon, Vincent; Sahoo, Akhila K.","An unconventional sulfur-to-selenium-to-carbon radical transfer: chemo-and regioselective cyclization of yne-ynamides","Green Chemistry","2020","22","4","1113","1118","10.1039/C9GC03745D","","","0.71073","MoKα","","0.0794","0.0523","","","0.1495","0.1677","","","","","","0.909","","","","has coordinates,has disorder","257585","2020-10-21","18:00:00",""
"7239752","9.6267","0.0007","5.2704","0.0002","13.829","0.0017","90","","109.943","0.011","90","","659.56","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","1","0.5","","Isakov, Anton I.; Lorenz, Heike; Zolotarev, Andrey A.; Kotelnikova, Elena N.","Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities","CrystEngComm","2020","22","5","986","997","10.1039/C9CE01333D","","x-ray","1.54184","CuKα","","0.0829","0.0687","","","0.1864","0.2039","","","","","","1.025","","","","has coordinates,has disorder","257450","2020-10-21","18:00:00",""
"7239753","20.5773","0.0013","7.6357","0.0005","20.5774","0.0006","90","","94.06","0.01","90","","3225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cd2 N4 O8 -","- C42 H28 Cd2 N4 O8 -","- C168 H112 Cd8 N16 O32 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0213","0.0211","","","0.0565","0.0566","","","","","","1.027","","","","has coordinates,has disorder","257479","2020-10-21","18:00:00",""
"7239754","15.5031","0.0009","10.5717","0.0006","18.4527","0.0011","90","","107.028","0.001","90","","2891.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd N4 O4 -","- C32 H26 Cd N4 O4 -","- C128 H104 Cd4 N16 O16 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0335","0.0267","","","0.0887","0.0996","","","","","","1.079","","","","has coordinates","257479","2020-10-21","18:00:00",""
"7239759","9.588","0.0012","9.1464","0.0013","15.181","0.003","90","","95.161","0.013","90","","1325.9","0.4","297","2","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C10H16N)2MnBr4","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Fu, Hanmei; Jiang, Chunli; Lao, Jie; Luo, Chunhua; Lin, Hechun; Peng, Hui; Duan, Chun-Gang","An organic‒inorganic hybrid ferroelectric with strong luminescence and high Curie temperature","CrystEngComm","2020","22","8","1436","1441","10.1039/C9CE01888C","","","1.54178","CuKα","","0.041","0.0391","","","0.1128","0.1154","","","","","","1.048","","","","has coordinates","257440","2020-10-21","18:00:00",""
"7239762","8.8377","0.0006","11.5913","0.0009","12.6874","0.0011","68.122","0.008","86.872","0.007","80.728","0.006","1190.32","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl I N5 Pd -","- C24 H25 Cl I N5 Pd -","- C48 H50 Cl2 I2 N10 Pd2 -","2","1","","Mikherdov, Alexander S.; Katkova, Svetlana A.; Novikov, Alexander S.; Efremova, Mariia M.; Reutskaya, Elena Yu.; Kinzhalov, Mikhail A.","(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies","CrystEngComm","2020","22","7","1154","1159","10.1039/C9CE01741K","","","0.71073","MoKα","","0.045","0.0322","","","0.063","0.0696","","","","","","1.035","","","","has coordinates","257478","2020-10-21","18:00:00",""
"7239763","8.4738","0.0002","24.4748","0.0006","11.8708","0.0003","90","","91.051","0.001","90","","2461.53","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl O4 -","- C27 H25 Cl O4 -","- C108 H100 Cl4 O16 -","4","1","","Zhang, Zhipeng; Yu, Yang; Huang, Fei; Yi, Xiangyan; Xu, Yao; He, Yide; Baell, Jonathan B.; Huang, He","Catalytic O‒H bond insertion reactions using surface modified sewage sludge as a catalyst","Green Chemistry","2020","22","5","1594","1604","10.1039/C9GC03428E","","","0.71073","MoKα","","0.09","0.0684","","","0.1953","0.2209","","","","","","1.046","","","","has coordinates,has disorder","257583","2020-10-21","18:00:00",""
"7239764","15.0906","0.0005","7.9886","0.0002","15.7975","0.0005","90","","95.544","0.001","90","","1895.52","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","1","","Zhang, Zhipeng; Yu, Yang; Huang, Fei; Yi, Xiangyan; Xu, Yao; He, Yide; Baell, Jonathan B.; Huang, He","Catalytic O‒H bond insertion reactions using surface modified sewage sludge as a catalyst","Green Chemistry","2020","22","5","1594","1604","10.1039/C9GC03428E","","","0.71073","MoKα","","0.0531","0.0421","","","0.1089","0.1192","","","","","","1.013","","","","has coordinates","257583","2020-10-21","18:00:00",""
"7239775","9.4217","0.0005","10.3198","0.0006","13.0913","0.0006","67.835","0.005","71.685","0.005","86.556","0.005","1116.61","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","","Fc Trip","","- C30 H24 Fe -","- C30 H24 Fe -","- C60 H48 Fe2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.0733","0.0538","","","0.1391","0.1533","","","","","","1.028","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239776","13.332","0.0015","13.4018","0.0012","16.138","0.002","95.029","0.009","105.145","0.011","119.521","0.01","2340.2","0.6","298","","298","","","","","","","","","3","P -1","-P 1","2","","FCC2trip","","- C64 H46 Fe2 -","- C64 H46 Fe2 -","- C128 H92 Fe4 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","","0.71073","MoKα","","0.2107","0.0914","","","0.1986","0.2736","","","","","","1.021","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239777","8.9336","0.0001","8.4105","0.0001","28.5683","0.0004","90","","93.582","0.001","90","","2142.32","0.05","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cocrystal 4","","- C60 H46 Fe2 -","- C60 H46 Fe2 -","- C120 H92 Fe4 -","2","0.5","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.0497","0.0438","","","0.1287","0.1397","","","","","","1.042","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239778","9.6767","0.0012","10.3972","0.0012","12.9455","0.0015","70.641","0.01","71.847","0.011","89.794","0.01","1160.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TripFccho","","- C31 H24 Fe O -","- C31 H24 Fe O -","- C62 H48 Fe2 O2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.2121","0.1203","","","0.3157","0.3924","","","","","","0.961","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239779","7.95","0.0004","28.507","0.002","15.5007","0.0008","90","","104.262","0.005","90","","3404.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","TripPCPfc","","- C48 H38 Fe -","- C48 H38 Fe -","- C192 H152 Fe4 -","4","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.1747","0.1158","","","0.3075","0.3614","","","","","","1.027","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239780","11.324","0.0009","12.502","0.004","14.398","0.004","90","","90","","90","","2038.4","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0457","0.0321","","","0.0551","0.0588","","","","","","1.015","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239781","11.6797","0.0013","12.746","0.002","16.331","0.002","90","","100.554","0.01","90","","2390.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl5 Hg N2 O4 -","- C19 H19 Cl5 Hg N2 O4 -","- C76 H76 Cl20 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.1137","0.0477","","","0.0862","0.1085","","","","","","0.823","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239782","11.321","0.007","12.502","0.006","14.4","0.02","90","","90","","90","","2038","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0361","0.0287","","","0.0511","0.0532","","","","","","1.024","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239783","18.3123","0.0007","18.3932","0.0006","5.8857","0.0003","90","","90","","90","","1982.43","0.14","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0846","0.0614","","","0.1397","0.1454","","","","","","1.22","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239784","7.594","0.0014","8.5623","0.0016","13.088","0.003","97.266","0.003","95.849","0.003","95.577","0.003","834.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Mn N3 O5 -","- C12 H10 Mn N3 O5 -","- C24 H20 Mn2 N6 O10 -","2","1","","Léval, Alexander; Agapova, Anastasiya; Steinlechner, Christoph; Alberico, Elisabetta; Junge, Henrik; Beller, Matthias","Hydrogen production from formic acid catalyzed by a phosphine free manganese complex: investigation and mechanistic insights","Green Chemistry","2020","22","3","913","920","10.1039/C9GC02453K","","","0.71073","MoKα","","0.0384","0.0346","","","0.1035","0.1074","","","","","","1.066","","","","has coordinates","257627","2020-10-21","18:00:00",""
"7239785","7.9845","0.0013","12.118","0.002","14.112","0.002","90","","100.181","0.003","90","","1343.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br Mn N3 O3 -","- C11 H9 Br Mn N3 O3 -","- C44 H36 Br4 Mn4 N12 O12 -","4","1","","Léval, Alexander; Agapova, Anastasiya; Steinlechner, Christoph; Alberico, Elisabetta; Junge, Henrik; Beller, Matthias","Hydrogen production from formic acid catalyzed by a phosphine free manganese complex: investigation and mechanistic insights","Green Chemistry","2020","22","3","913","920","10.1039/C9GC02453K","","","0.71073","MoKα","","0.0239","0.0201","","","0.0507","0.0525","","","","","","1.049","","","","has coordinates","257627","2020-10-21","18:00:00",""
"7239786","28.1541","0.0009","7.891","0.0003","17.6912","0.0006","90","","106.211","0.001","90","","3774.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 Pt -","- C24 H18 N4 Pt -","- C192 H144 N32 Pt8 -","8","2","","Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.","On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.","Physical chemistry chemical physics : PCCP","2020","22","6","3217","3233","10.1039/c9cp05603c","","","1.54178","CuKα","","0.0525","0.0474","","","0.0982","0.1005","","","","","","1.203","","","","has coordinates","249053","2020-10-21","18:00:00",""
"7239787","12.6868","0.0004","18.9392","0.0006","9.8058","0.0003","90","","108.94","0.001","90","","2228.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl2 N4 Pd -","- C25 H20 Cl2 N4 Pd -","- C100 H80 Cl8 N16 Pd4 -","4","1","","Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.","On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.","Physical chemistry chemical physics : PCCP","2020","22","6","3217","3233","10.1039/c9cp05603c","","","1.54178","CuKα","","0.0348","0.0345","","","0.0932","0.0935","","","","","","1.117","","","","has coordinates","249053","2020-10-21","18:00:00",""
"7239796","5.6","0.0005","7.2286","0.0006","8.4078","0.0008","109.17","0.008","93.81","0.007","103.285","0.007","309.12","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 N3 O4 -","- C4 H5 N3 O4 -","- C8 H10 N6 O8 -","2","1","","Widelicka, Małgorzata; Ławniczak, Paweł; Pietraszko, Adam; Pogorzelec-Glaser, Katarzyna; Łapiński, Andrzej","Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers","CrystEngComm","2020","22","11","2031","2041","10.1039/C9CE01397K","","","0.71073","MoKα","","0.0828","0.0465","","","0.1068","0.1261","","","","","","1.112","","","","has coordinates","257486","2020-10-21","18:00:00",""
"7239797","5.7832","0.0005","7.7601","0.0007","12.0835","0.0011","77.499","0.002","78.664","0.002","73.377","0.002","502.02","0.08","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","1","0.5","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.0389","0.0269","","","0.0599","0.0619","","","","","","1.01","","","","has coordinates","249055","2020-10-21","18:00:00",""
"7239798","5.7217","0.0007","14.197","0.002","25.666","0.003","90","","92.162","0.005","90","","2083.4","0.5","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 Se2 -","- C22 H18 N4 Se2 -","- C88 H72 N16 Se8 -","4","0.5","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.092","0.0467","","","0.1116","0.1266","","","","","","1.035","","","","has coordinates,has disorder","249055","2020-10-21","18:00:00",""
"7239799","6.031","0.004","16.042","0.011","8.787","0.007","90","","95.82","0.02","90","","845.8","1.1","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N Te -","- C8 H7 N Te -","- C32 H28 N4 Te4 -","4","1","","Kumar, Vijith; Xu, Yijue; Leroy, César; Bryce, David L.","Direct investigation of chalcogen bonds by multinuclear solid-state magnetic resonance and vibrational spectroscopy.","Physical chemistry chemical physics : PCCP","2020","22","7","3817","3824","10.1039/c9cp06267j","","x-ray","0.71073","MoKα","","0.0241","0.019","","","0.041","0.0424","","","","","","1.158","","","","has coordinates,has disorder","249055","2020-10-21","18:00:00",""
"7239811","9.1672","0.0004","9.2117","0.0005","14.89","0.0008","86.026","0.003","72.591","0.002","65.538","0.002","1089.94","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N6 O2 S -","- C22 H24 N6 O2 S -","- C44 H48 N12 O4 S2 -","2","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0538","0.0419","","","0.1295","0.156","","","","","","1.097","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239812","9.5404","0.0007","13.9656","0.0009","18.1238","0.0012","90","","102.142","0.003","90","","2360.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O5 S -","- C24 H26 N4 O5 S -","- C96 H104 N16 O20 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0732","0.0463","","","0.1163","0.1318","","","","","","1.047","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239813","11.973","0.0005","18.2134","0.0007","11.9964","0.0004","90","","96.699","0.002","90","","2598.18","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O7 S -","- C24 H30 N4 O7 S -","- C96 H120 N16 O28 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0895","0.0618","","","0.1489","0.1613","","","","","","1.208","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239814","9.9166","0.001","13.3673","0.0014","23.035","0.002","90","","97.163","0.005","90","","3029.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O9 S -","- C28 H32 N4 O9 S -","- C112 H128 N16 O36 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.1234","0.0781","","","0.2347","0.2804","","","","","","1.038","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239832","9.7503","0.0005","18.6569","0.0011","19.6036","0.0011","65.086","0.002","76.413","0.002","80.311","0.002","3134","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","N,N-diphenyl-4""-(1-phenyl-1H-benzo[d]imidazole-2-yl)-[1,1':3',1""-terphenyl]-4-amine","","- C1.87 H1.35 N0.13 -","- C1.86957 H1.34783 N0.130435 -","- C172 H124 N12 -","92","46","","Kim, Min-Ji; Ahn, Mina; Shim, Jun Ho; Wee, Kyung-Ryang","Terphenyl backbone-based donor-π-acceptor dyads: geometric isomer effects on intramolecular charge transfer.","Physical chemistry chemical physics : PCCP","2020","22","6","3370","3378","10.1039/c9cp06466d","","","0.71073","MoKα","","0.1211","0.052","","","0.1122","0.1573","","","","","","1.052","","","","has coordinates","249054","2020-10-21","18:00:00",""
"7239835","8.6772","0.0008","9.0145","0.0009","9.9691","0.0009","110.22","0.004","107.146","0.003","97.596","0.002","674.97","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F N2 S -","- C15 H13 F N2 S -","- C30 H26 F2 N4 S2 -","2","1","","Wen, Jiangwei; Niu, Cong; Yan, Kelu; Cheng, Xingda; Gong, Ruike; Li, Mengqian; Guo, Yongqiang; Yang, Jianjing; Wang, Hua","Electrochemical-induced regioselective C-3 thiomethylation of imidazopyridines via a three-component cross-coupling strategy","Green Chemistry","2020","22","4","1129","1133","10.1039/C9GC04068D","","","0.71073","MoKα","","0.0578","0.0427","","","0.1159","0.1272","","","","","","1.06","","","","has coordinates","257587","2020-10-21","18:00:00",""
"7239839","7.4833","0.0002","8.152","0.0002","16.1344","0.0004","98.002","0.001","91.532","0.001","102.448","0.001","950.12","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0482","0.036","","","0.0864","0.0921","","","","","","1.035","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239840","7.9356","0.0009","10.3848","0.0012","13.1949","0.0015","108.741","0.003","93.495","0.003","109.913","0.003","950.27","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0524","0.0409","","","0.109","0.1158","","","","","","1.041","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239841","12.3517","0.0016","8.3507","0.0011","18.174","0.002","90","","98.788","0.004","90","","1852.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O3 S -","- C18 H20 N6 O3 S -","- C72 H80 N24 O12 S4 -","4","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.1406","0.075","","","0.1519","0.1753","","","","","","1.062","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239842","14.4922","0.0003","14.2458","0.0002","15.9319","0.0003","90","","91.96","0.001","90","","3287.26","0.1","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 B F2 N2 O -","- C19 H19 B F2 N2 O -","- C152 H152 B8 F16 N16 O8 -","8","2","","Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin","Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.","Physical chemistry chemical physics : PCCP","2020","22","7","4072","4079","10.1039/d0cp00232a","","","0.71073","MoKα","","0.0944","0.06","","","0.1089","0.1222","","","","","","1.094","","","","has coordinates","249056","2020-10-21","18:00:00",""
"7239843","21.8579","0.0004","10.5698","0.0002","18.2672","0.0004","90","","112.645","0.001","90","","3894.98","0.14","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F2 I2 N2 O -","- C19 H17 B F2 I2 N2 O -","- C152 H136 B8 F16 I16 N16 O8 -","8","2","","Sittig, Maria; Schmidt, Benny; Görls, Helmar; Bocklitz, Thomas; Wächtler, Maria; Zechel, Stefan; Hager, Martin D.; Dietzek, Benjamin","Fluorescence upconversion by triplet-triplet annihilation in all-organic poly(methacrylate)-terpolymers.","Physical chemistry chemical physics : PCCP","2020","22","7","4072","4079","10.1039/d0cp00232a","","","0.71073","MoKα","","0.0805","0.0554","","","0.0961","0.1062","","","","","","1.132","","","","has coordinates","249056","2020-10-21","18:00:00",""
"7239849","9.3329","0.0013","16.012","0.002","16.212","0.002","107.789","0.005","90.226","0.005","97.585","0.005","2284.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 B2 O20 Tb2 -","- C42 H28 B2 O20 Tb2 -","- C84 H56 B4 O40 Tb4 -","2","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0738","0.0548","","","0.1441","0.1547","","","","","","1.056","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239850","4.5881","0.0013","6.5905","0.0016","29.664","0.008","90","","90","","90","","897","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 B Na O5 -","- C7 H4 B Na O5 -","- C28 H16 B4 Na4 O20 -","4","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0539","0.0487","","","0.1378","0.1404","","","","","","1.022","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239851","18.42","0.004","10.567","0.002","8.8377","0.0018","90","","90","","90","","1720.2","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 Co N10 Na O -","- C12 H12 Co N10 Na O -","- C48 H48 Co4 N40 Na4 O4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0334","0.0288","","","0.0675","0.0694","","","","","","1.131","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239852","13.61","0.02","8.824","0.011","15.27","0.02","90","","111.68","0.02","90","","1704","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Co N10 Rb -","- C12 H10 Co N10 Rb -","- C48 H40 Co4 N40 Rb4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.1071","0.0889","","","0.2648","0.2788","","","","","","1.113","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239853","8.8569","0.0003","8.8569","0.0003","19.0362","0.0009","90","","90","","120","","1293.23","0.09","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co N10 Rb -","- C11.001 Co N6 Rb -","- C33.003 Co3 N18 Rb3 -","3","0.166667","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0784","0.0748","","","0.2396","0.2415","","","","","","1.284","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239854","8.8341","0.0017","8.8341","0.0017","19.308","0.003","90","","90","","120","","1304.9","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H10 Co N10 Rb -","- C16.02 Co N6 Rb -","- C48.06 Co3 N18 Rb3 -","3","0.0833333","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.045","0.0421","","","0.1441","0.1481","","","","","","1.254","","","","has coordinates,has disorder","257432","2020-10-21","18:00:00",""
"7239861","7.4557","0.0003","12.6096","0.0005","13.7586","0.0003","94.478","0.003","98.662","0.003","101.166","0.003","1246.84","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.8 H7.2 Co0.4 N0.8 O3.2 S0.4 -","- C10.8 H6.4 Co0.4 N0.8 O3.2 S0.4 -","- C54 H32 Co2 N4 O16 S2 -","5","2.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.0534","0.0466","","","0.1213","0.1255","","","","","","1.03","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239862","10.5883","0.0004","12.9921","0.0005","14.4442","0.0005","63.887","0.004","79.26","0.003","79.327","0.003","1740.9","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9.29 H5.71 Co0.43 N0.57 O3 S0.43 -","- C9.28571 H5.28571 Co0.428571 N0.571429 O3 S0.428571 -","- C65 H37 Co3 N4 O21 S3 -","7","3.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1009","0.0915","","","0.2145","0.2196","","","","","","1.096","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239863","10.8048","0.0004","12.8422","0.0007","14.3174","0.0005","65.558","0.004","81.826","0.003","79.139","0.004","1771.62","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8.62 H5 Co0.38 N0.5 O2.62 S0.38 -","- C8.625 H4.125 Co0.375 N0.5 O2.625 S0.375 -","- C69 H33 Co3 N4 O21 S3 -","8","4","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1596","0.1469","","","0.4052","0.4196","","","","","","1.247","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239864","17.876","0.002","27.491","0.002","11.3809","0.001","90","","90","","90","","5592.9","0.9","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C4.17 H2.67 Co0.17 N0.33 O1.17 S0.17 -","- C4.16667 H2 Co0.166667 N0.333333 O1.16667 S0.166667 -","- C100 H48 Co4 N8 O28 S4 -","24","3","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.186","0.0848","","","0.2211","0.2735","","","","","","0.931","","","","has coordinates","257430","2020-10-21","18:00:00",""
"7239868","30.2857","0.0013","16.998","0.0007","28.4898","0.0012","90","","95.403","0.002","90","","14601.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 N3 O26 Zn5 -","- C46 H38 N3 O26 Zn5 -","- C368 H304 N24 O208 Zn40 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.181","0.1335","","","0.3646","0.3997","","","","","","1.054","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239869","9.4648","0.0003","16.2782","0.0006","11.5458","0.0004","90","","97.104","0.002","90","","1765.2","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mn N2 O7 -","- C15 H20 Mn N2 O7 -","- C60 H80 Mn4 N8 O28 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.0963","0.0766","","","0.2293","0.2451","","","","","","1.097","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239870","20.1064","0.0005","14.018","0.0004","18.9293","0.0005","90","","118.072","0.002","90","","4707.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cd5 O24 -","- C27 H17 Cd5 O24 -","- C108 H68 Cd20 O96 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.2691","0.2531","","","0.5548","0.5618","","","","","","1.111","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239871","12.5634","0.0003","16.1618","0.0003","17.1222","0.0003","90","","90","","90","","3476.61","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H11 Cd N2 O5 -","- C11 H9 Cd N O6 -","- C88 H72 Cd8 N8 O48 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","1.54184","CuKα","","0.0452","0.041","","","0.1205","0.137","","","","","","1.126","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239872","34.2808","0.0008","19.8399","0.0004","18.1612","0.0004","90","","102.818","0.002","90","","12044.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Mn3 N O19 -","- C33 H24 Mn3 N O19 -","- C264 H192 Mn24 N8 O152 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","x-ray","1.54184","CuKα","","0.1111","0.0984","","","0.2865","0.3008","","","","","","1.063","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239880","7.3992","0.0018","23.598","0.006","7.8738","0.0019","90","","101.882","0.008","90","","1345.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C48 H60 N12 O24 -","4","1","","Zheng, Kang; Gao, Sijia; Chen, Meishan; Li, Ao; Wu, Weiwei; Qian, Shaosong; Pang, Qiuxiang","Color tuning of an active pharmaceutical ingredient through cocrystallization: a case study of a metronidazole‒pyrogallol cocrystal","CrystEngComm","2020","22","8","1404","1413","10.1039/C9CE01726G","","","0.71073","MoKα","","0.0637","0.0481","","","0.1193","0.1294","","","","","","1.034","","","","has coordinates","257438","2020-10-21","18:00:00",""
"7239881","6.0437","0.0003","11.6835","0.0006","14.5203","0.001","90","","96.343","0.007","90","","1019.02","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C48 H32 B4 F8 N8 -","2","0.5","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.71075","MoKα","","0.0367","0.0333","","","0.0866","0.089","","","","","","1.073","","","","has coordinates","249052","2020-10-21","18:00:00",""
"7239882","19.818","0.014","10.284","0.005","12.947","0.006","90","","130.539","0.007","90","","2005","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C96 H64 B8 F16 N16 -","4","0.5","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.71073","MoKα","","0.0813","0.0536","","","0.1191","0.1365","","","","","","1.147","","","","has coordinates","249052","2020-10-21","18:00:00",""
"7239883","20.5","0.02","20.4","0.02","8.11","0.008","90","","95.68","","90","","3375","6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H22 B3 Cl F6 N6 -","- C33.498 H21.996 B3 Cl0.996 F6 N6 -","- C133.992 H87.984 B12 Cl3.984 F24 N24 -","4","1","","Mangham, Barry; Hanson-Heine, Magnus W D; Davies, E. Stephen; Wriglesworth, Alisdair; George, Michael W.; Lewis, William; Kays, Deborah L.; McMaster, Jonathan; Besley, Nicholas A.; Champness, Neil R.","Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions.","Physical chemistry chemical physics : PCCP","2020","22","8","4429","4438","10.1039/c9cp06427c","","","0.6889","synchrotron","","0.1635","0.1329","","","0.3379","0.373","","","","","","1.304","","","","has coordinates,has disorder","249052","2020-10-21","18:00:00",""
"7239884","16.2697","0.001","9.5846","0.0005","13.562","0.0009","90","","111.878","0.007","90","","1962.5","0.2","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H20 Br2 Cl6 N2 Te -","- C6 H20 Br2 Cl6 N2 Te -","- C24 H80 Br8 Cl24 N8 Te4 -","4","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0284","0.0274","","","0.0661","0.0667","","","","","","1.051","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239885","7.7903","0.0004","8.952","0.0005","17.1961","0.001","100.706","0.005","97.205","0.005","108.223","0.005","1097.41","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C24 H32 Br4 Cl12 N4 Te2 -","2","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0465","0.0345","","","0.0688","0.074","","","","","","1.06","","","","has coordinates,has disorder","257483","2020-10-21","18:00:00",""
"7239886","9.2138","0.0002","9.2138","0.0002","25.0947","0.0008","90","","90","","90","","2130.39","0.09","140","2","140","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C48 H64 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0315","0.0271","","","0.0412","0.0422","","","","","","1.063","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239887","16.8313","0.0008","9.4395","0.0004","13.2246","0.0006","90","","109.26","0.005","90","","1983.52","0.17","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br2 Cl6 N2 Te -","- C10 H12 Br2 Cl6 N2 Te -","- C40 H48 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0287","0.024","","","0.0566","0.0582","","","","","","1.068","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239951","12.6327","0.0006","15.2434","0.0007","15.98","0.0007","102.027","0.002","105.432","0.002","112.595","0.002","2566.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O6 -","- C33 H27 N O6 -","- C132 H108 N4 O24 -","4","2","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0427","0.0375","","","0.0998","0.1045","","","","","","1.011","","","","has coordinates,has disorder","257598","2020-10-21","18:00:00",""
"7239952","5.6742","0.0002","8.7921","0.0004","13.5713","0.0005","103.259","0.001","95.099","0.001","95.624","0.001","651.48","0.04","100","2","100","1","","","","","","","","3","P -1","-P 1","2","(E)-N-(2,3-dihydro-1H-inden-2-yl)-1(p-tolyl)methanimine","","","- C17 H17 N -","- C17 H17 N -","- C34 H34 N2 -","2","1","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0464","0.0439","","","0.1096","0.1122","","","","","","1.072","","","","has coordinates","257598","2020-10-21","18:00:00",""
"7239953","10.388","0.0004","10.8621","0.0004","11.9356","0.0004","103.368","0.001","111.316","0.001","90.267","0.001","1214.77","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-cyclopropyl-1-phenyl-1H-benzoimidazole","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","2","","Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard","A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates","Green Chemistry","2020","22","6","1894","1905","10.1039/C9GC03992A","","","1.54178","CuKα","","0.0327","0.0314","","","0.0776","0.0784","","","","","","1.099","","","","has coordinates","257598","2020-10-21","18:00:00",""
"7239961","8.398","0.005","7.421","0.005","13.749","0.007","90","","99.9","0.05","90","","844.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 N O S -","- C9 H5 N O S -","- C36 H20 N4 O4 S4 -","4","1","","He, Dongdong; Yao, Jiaojiao; Ma, Boling; Wei, Jinghao; Hao, Guangguo; Tuo, Xun; Guo, Shengmei; Fu, Zhengjiang; Cai, Hu","An electrochemical method for deborylative seleno/thiocyanation of arylboronic acids under catalyst- and oxidant-free conditions","Green Chemistry","2020","22","5","1559","1564","10.1039/C9GC03797G","","","0.71073","MoKα","","0.1066","0.0905","","","0.1814","0.1828","","","","","","3.633","","","","has coordinates","257584","2020-10-21","18:00:00",""
"7239971","7.7569","0.0006","15.7881","0.0012","10.9425","0.0011","90","","91.562","0.008","90","","1339.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N16 O2 -","- C24 H22 Co N16 O2 -","- C48 H44 Co2 N32 O4 -","2","0.5","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.1142","0.0687","","","0.1284","0.1558","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239972","13.1218","0.0007","14.2515","0.0007","14.6292","0.0008","90","","102.327","0.005","90","","2672.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N18 O -","- C24 H22 Co N18 O -","- C96 H88 Co4 N72 O4 -","4","1","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.0927","0.0595","","","0.1223","0.1386","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239973","11.3479","0.0005","10.0774","0.0005","11.9461","0.0006","90","","98.694","0.004","90","","1350.43","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Yue, Jing; Ma, Xi-Tao; Liu, Xiong-Li; Wang, Jun-Xin; Liu, Xiong-Wei; Zhou, Ying","Ammonium hydroxide as the ultimate amino source for the synthesis of N-unprotected 3-tetrasubstituted aminooxindoles via catalyst-free direct amination","Green Chemistry","2020","22","6","1837","1841","10.1039/D0GC00130A","","x-ray","0.71073","MoKα","","0.0561","0.0457","","","0.1136","0.122","","","","","","1.07","","","","has coordinates","257597","2020-10-21","18:00:00",""
"7239974","12.8233","0.0013","10.2114","0.0007","12.0326","0.0013","90","","116.906","0.013","90","","1405","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O -","- C16 H15 Cl N2 O -","- C64 H60 Cl4 N8 O4 -","4","1","","Yue, Jing; Ma, Xi-Tao; Liu, Xiong-Li; Wang, Jun-Xin; Liu, Xiong-Wei; Zhou, Ying","Ammonium hydroxide as the ultimate amino source for the synthesis of N-unprotected 3-tetrasubstituted aminooxindoles via catalyst-free direct amination","Green Chemistry","2020","22","6","1837","1841","10.1039/D0GC00130A","","x-ray","0.71073","MoKα","","0.0562","0.0437","","","0.0944","0.1027","","","","","","1.022","","","","has coordinates","257597","2020-10-21","18:00:00",""
"7239983","11.7246","0.0003","8.3285","0.0002","16.9656","0.0005","90","","90","","90","","1656.66","0.08","106","7","106","7","","","","","","","","4","P b c a","-P 2ac 2ab","61","","TR67.0U","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C64 H88 N8 O24 -","8","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0425","0.0375","","","0.0945","0.0977","","","","","","1.085","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239984","7.1931","0.0003","7.0581","0.0004","8.4454","0.0004","90","","92.515","0.004","90","","428.36","0.04","107","4","107","4","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C20 H22 N2 O4 -","2","0.5","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0907","0.0936","","","","","","1.057","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239985","7.1964","0.0001","11.9878","0.0003","14.751","0.0003","90","","90","","90","","1272.55","0.04","107","5","107","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","TR205","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.029","0.0277","","","0.0719","0.0728","","","","","","1.047","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239986","24.7484","0.0003","10.706","0.0001","26.2577","0.0003","90","","115.723","0.001","90","","6267.71","0.13","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 N4 O24 -","- C60 H84 N4 O24 -","- C240 H336 N16 O96 -","4","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0489","0.0428","","","0.112","0.1162","","","","","","1.027","","","","has coordinates,has disorder","257596","2020-10-21","18:00:00",""
"7239997","11.244","0.003","12.415","0.003","32.461","0.009","90","","92.071","0.005","90","","4528","2","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H108 Ni6 S12 -","- C96 H108 Ni6 S12 -","- C192 H216 Ni12 S24 -","2","0.5","","Pembere, Anthony M. S.; Cui, Chaonan; Anumula, Rajini; Wu, Haiming; An, Pan; Liang, Tongling; Luo, Zhixun","Correction: A hexagonal Ni<sub>6</sub> cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde.","Physical chemistry chemical physics : PCCP","2020","22","10","6010","6010","10.1039/d0cp90052d","","","0.71073","MoKα","","0.0572","0.0498","","","0.0836","0.0872","","","","","","1.126","","","","has coordinates","257929","2020-10-21","18:00:00",""
"7240004","4.8425","0.0007","24.45","0.004","5.7818","0.0009","90","","99.096","0.005","90","","675.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.1125","0.0675","","","0.121","0.1328","","","","","","1.125","","","","has coordinates,has disorder","257482","2020-10-21","18:00:00",""
"7240005","8.2627","0.0006","8.335","0.0006","8.7473","0.0006","91.177","0.002","117.067","0.002","97.41","0.003","529.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 F N O3 S -","- C10 H10 F N O3 S -","- C20 H20 F2 N2 O6 S2 -","2","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0386","0.0342","","","0.085","0.0874","","","","","","1.084","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240006","12.8358","0.0007","6.172","0.0003","15.5627","0.0008","90","","96.692","0.002","90","","1224.52","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 O4 -","- C14 H9 F N2 O4 -","- C56 H36 F4 N8 O16 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0674","0.047","","","0.1074","0.1166","","","","","","1.065","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240007","3.7104","0.0004","12.1407","0.0015","14.766","0.0015","90","","93.397","0.004","90","","663.99","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.106","0.0599","","","0.1089","0.1236","","","","","","1.058","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240021","14.1317","0.0014","5.8342","0.0006","14.5513","0.0014","90","","90","","90","","1199.7","0.2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H26 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Sun, Chen; Yue, Yun-Di; Zhang, Wei-Feng; Sun, Xing-Yu; Du, Yan; Pan, Hong-Mei; Ma, Yue-Yu; He, Yuan-Chun; Li, Meng-Ting; Jing, Zhi-Hong","[DMEDA]PbCl4: a one-dimensional organic lead halide perovskite with efficient yellow emission","CrystEngComm","2020","22","8","1480","1486","10.1039/C9CE01816F","","","0.71073","MoKα","","0.0179","0.0172","","","0.0469","0.0472","","","","","","1.087","","","","has coordinates","257441","2020-10-21","18:00:00",""
"7240022","6.467","0.007","7.524","0.008","16.983","0.018","90","","90","","90","","826.4","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0458","0.0387","","","0.1008","0.1055","","","","","","0.953","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240023","7.607","0.006","10.131","0.007","18.949","0.013","86.816","0.011","79.942","0.011","78.363","0.011","1408","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","1","0.5","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.107","0.085","","","0.2511","0.2776","","","","","","1.058","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240024","7.337","0.012","8.408","0.014","9.584","0.016","106.7","0.02","98.23","0.03","107.36","0.02","523.3","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cu I N4 -","- C9 H8 Cu I N4 -","- C18 H16 Cu2 I2 N8 -","2","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0666","0.0596","","","0.152","0.1588","","","","","","1.009","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240025","7.6799","0.0003","10.5256","0.0005","10.9153","0.0005","62.404","0.001","89.158","0.001","74.817","0.001","748.78","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","1","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0289","0.0274","","","0.0745","0.0753","","","","","","1.099","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240026","11.428","0.002","12.41","0.003","12.769","0.003","61.507","0.002","88.882","0.004","76.364","0.004","1537.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 N4 Ni O11 S -","- C30 H32 N4 Ni O11 S -","- C60 H64 N8 Ni2 O22 S2 -","2","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0699","0.0519","","","0.1491","0.1574","","","","","","1.009","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240027","34.36","0.007","9.0513","0.0016","19.787","0.003","90","","107.545","0.007","90","","5867.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 N8 Ni2 O17 S2 -","- C60 H54 N8 Ni2 O17 S2 -","- C240 H216 N32 Ni8 O68 S8 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0541","0.0363","","","0.0842","0.0963","","","","","","1.029","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240028","16.5083","0.0007","9.8738","0.0004","19.9446","0.0008","90","","107.595","0.001","90","","3098.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 Ni O8 -","- C34 H32 N4 Ni O8 -","- C136 H128 N16 Ni4 O32 -","4","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0636","0.0419","","","0.1077","0.1206","","","","","","1.017","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240029","21.551","0.002","7.2511","0.0007","20.83","0.0018","90","","117.421","0.001","90","","2889.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 Ni O9 -","- C32 H28 N4 Ni O9 -","- C128 H112 N16 Ni4 O36 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0729","0.0715","","","0.1717","0.1723","","","","","","1.048","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240030","15.6642","0.0007","14.0331","0.0007","26.9234","0.0013","90","","92.866","0.001","90","","5910.8","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H17 Cu2 N4 O9 -","- C33 H17 Cu2 N4 O9 -","- C264 H136 Cu16 N32 O72 -","8","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0748","0.0458","","","0.1116","0.1259","","","","","","1.001","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240031","7.6768","0.0006","22.9016","0.0018","15.1581","0.0012","90","","94.189","0.002","90","","2657.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 Co N4 O8 -","- C33 H20 Co N4 O8 -","- C132 H80 Co4 N16 O32 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1017","0.0479","","","0.0997","0.1172","","","","","","1.008","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240032","31.9886","0.0019","14.0007","0.0007","15.8473","0.0008","90","","98.91","0.002","90","","7011.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 N12 Ni3 O22 -","- C72 H54 N12 Ni3 O22 -","- C288 H216 N48 Ni12 O88 -","4","0.5","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0775","0.0463","","","0.118","0.134","","","","","","1.002","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240033","9.747","0.0005","11.5054","0.0006","12.5424","0.0007","99.091","0.001","90.462","0.001","109.098","0.001","1309.74","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N4 O9 Zn -","- C29 H20 N4 O9 Zn -","- C58 H40 N8 O18 Zn2 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0513","0.0357","","","0.0768","0.0828","","","","","","1.024","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240034","9.867","0.0005","13.5792","0.0006","19.1123","0.0009","90","","94.495","0.001","90","","2552.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cu N4 O9 -","- C29 H20 Cu N4 O9 -","- C116 H80 Cu4 N16 O36 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0441","0.0318","","","0.0819","0.0878","","","","","","1.003","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240035","9.6652","0.0006","11.526","0.0007","12.5516","0.0008","80.708","0.001","89.602","0.001","70.774","0.001","1301.35","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Co N4 O9 -","- C29 H20 Co N4 O9 -","- C58 H40 Co2 N8 O18 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0378","0.0312","","","0.0744","0.0777","","","","","","1.035","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240036","15.7534","0.0008","32.9347","0.0016","15.7929","0.0008","90","","111.776","0.001","90","","7609.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H50 N12 Ni3 O17 -","- C84 H50 N12 Ni3 O17 -","- C336 H200 N48 Ni12 O68 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1339","0.0629","","","0.114","0.1338","","","","","","1.017","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240037","7.1646","0.0004","8.5039","0.0011","10.0021","0.0011","104.049","0.01","97.995","0.006","96.617","0.007","578.34","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0814","0.0481","","","0.1","0.1175","","","","","","1.079","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240038","7.3738","0.0011","7.4503","0.0014","8.1802","0.0008","76.479","0.013","66.792","0.008","84.39","0.02","401.58","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","1","0.5","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0525","0.0364","","","0.0836","0.0924","","","","","","1.137","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240039","7.272","0.0003","9.1631","0.0003","10.5276","0.0012","97.273","0.006","110.034","0.006","111.668","0.003","586.18","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0644","0.0461","","","0.114","0.1282","","","","","","1.106","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240040","7.3226","0.0011","9.2359","0.0005","18.444","0.002","100.611","0.006","90.051","0.012","101.428","0.011","1200.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Na2 O10 -","- C8 H12 Na2 O10 -","- C32 H48 Na8 O40 -","4","2","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.1197","0.0555","","","0.1248","0.1593","","","","","","1.059","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240053","8.4606","0.0004","16.9137","0.0008","35.129","0.003","90","","90.02","0.02","90","","5027","0.5","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C240 H228 N12 O48 -","12","3","","Zhao, Yong-Long; Tang, Yong-Qin; Fei, Xing-Hai; Yang, Fen-Fen; Cao, Zhuo-Xian; Duan, Dong-Zhu; Zhao, Qing-Jie; Yang, Yuan-Yong; Zhou, Meng; He, Bin","Direct C(sp3)‒H acyloxylation of indolin-3-ones with carboxylic acids catalysed by KI","Green Chemistry","2020","22","8","2354","2358","10.1039/C9GC04446A","","x-ray","0.71073","MoKα","","0.0779","0.0515","","","0.1179","0.1354","","","","","","1.027","","","","has coordinates","257581","2020-10-21","18:00:00",""
"7240065","8.43","0.006","17.184","0.013","9.073","0.007","90","","93.26","0.04","90","","1312.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4',6'-dihydroxy-3-(morpholino-4-ium)-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C11 H16 B3 N O7 -","- C11 H16 B3 N O7 -","- C44 H64 B12 N4 O28 -","4","1","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","","0.71073","MoKα","","0.066","0.0472","","","0.1103","0.1188","","","","","","1.032","","","","has coordinates","257615","2020-10-21","18:00:00",""
"7240066","9.549","0.005","11.307","0.002","13.26","0.003","100.88","0.03","92.261","0.011","105.79","0.03","1346.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-(dibenzylammonio)-4',6'-dihydroxy-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C27 H34 B3 N O8 -","- C27 H34 B3 N O8 -","- C54 H68 B6 N2 O16 -","2","1","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","","0.71073","MoKα","","0.0534","0.0415","","","0.1006","0.1076","","","","","","1.048","","","","has coordinates,has disorder","257615","2020-10-21","18:00:00",""
"7240067","11.314","0.007","11.98","0.008","17.961","0.01","72.586","0.009","79.494","0.013","72.755","0.019","2207","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5,7-di-tert-butyl-4',6'-dihydroxy-3-(morpholino-4-ium)-3H-spiro[benzo[d][1,2]oxaborole-2,2'-[1,3,5,2,4,6]trioxatriborinan]-2-uide","","- C19 H32 B3 N O7 -","- C19 H32 B3 N O7 -","- C76 H128 B12 N4 O28 -","4","2","","Ming, Wenbo; Liu, Xiaocui; Friedrich, Alexandra; Krebs, Johannes; Budiman, Yudha P.; Huang, Mingming; Marder, Todd B.","Concise synthesis of α-amino cyclic boronates via multicomponent coupling of salicylaldehydes, amines, and B2(OH)4","Green Chemistry","2020","22","7","2184","2190","10.1039/D0GC00346H","","x-ray","0.71073","MoKα","","0.1549","0.0718","","","0.1277","0.1569","","","","","","1.016","","","","has coordinates","257615","2020-10-21","18:00:00",""
"7240068","9.7525","0.0003","20.6661","0.0006","6.358","0.0002","90","","90","","90","","1281.43","0.07","293","","293","","","","101","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.71073","MoKα","","0.0516","0.0218","","0.0788","0.0492","0.0788","","","","","","0.6939","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240069","9.7361","0.0008","20.626","0.013","6.3029","0.0007","90","","90","","90","","1265.7","0.8","293","","293","","","","160000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0348","0.0348","","0.0872","0.0872","0.0872","","","","","","1.0603","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240070","9.6689","0.0007","20.509","0.011","6.1816","0.0005","90","","90","","90","","1225.8","0.7","293","","293","","","","580000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0198","0.0198","","0.051","0.051","0.051","","","","","","0.9958","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240071","9.7551","0.0008","20.661","0.014","6.334","0.0007","90","","90","","90","","1276.6","0.9","293","","293","","","","110000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0351","0.0351","","0.0834","0.0834","0.0834","","","","","","1.166","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240072","9.7115","0.0008","20.57","0.013","6.2627","0.0007","90","","90","","90","","1251.1","0.8","293","","293","","","","290000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0266","0.0266","","0.0666","0.0666","0.0666","","","","","","0.9557","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240073","9.6376","0.0008","20.354","0.014","6.0986","0.0006","90","","90","","90","","1196.3","0.8","293","","293","","","","1030000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0332","0.0332","","0.0828","0.0828","0.0828","","","","","","0.9058","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240074","9.6249","0.0011","20.271","0.019","5.9805","0.001","90","","90","","90","","1166.8","1.1","293","","293","","","","1470000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0692","0.0692","","0.1547","0.1547","0.1547","","","","","","1.1468","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240075","9.5805","0.0009","20.129","0.016","5.8077","0.0009","90","","90","","90","","1120","0.9","293","","293","","","","2380000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0834","0.0834","","0.1883","0.1883","0.1883","","","","","","1.1635","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240076","9.5883","0.0009","20.186","0.015","5.8532","0.0009","90","","90","","90","","1132.9","0.9","293","","293","","","","1980000","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H10 N4 O4 Pt -","- C12 H10 N4 O4 Pt -","- C48 H40 N16 O16 Pt4 -","4","0.25","","Benjamin, Helen; Richardson, Jonathan G.; Moggach, Stephen A.; Afanasjevs, Sergejs; Warren, Lisette; Warren, Mark R.; Allan, David R.; Morrison, Carole A.; Kamenev, Konstantin V.; Robertson, Neil","Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator-metal transitions.","Physical chemistry chemical physics : PCCP","2020","22","12","6677","6689","10.1039/c9cp06749c","","","0.4859","synchrotron","","0.0747","0.0747","","0.1705","0.1705","0.1705","","","","","","1.0492","","","","has coordinates","250377","2020-10-21","18:00:00",""
"7240089","12.8944","0.0011","12.8937","0.0011","12.963","0.0012","82.985","0.002","66.987","0.001","88.659","0.002","1968.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Cl2 F12 N6 P2 Ru -","- C36 H28 Cl2 F12 N6 P2 Ru -","- C72 H56 Cl4 F24 N12 P4 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1263","0.098","","","0.2296","0.2467","","","","","","1.095","","","","has coordinates","257614","2020-10-21","18:00:00",""
"7240090","11.159","0.0011","12.3059","0.0012","14.8631","0.0013","67.875","0.001","68.045","0.001","86.116","0.003","1747.3","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H31 F6 N5 O2 P Ru -","- C37 H31 F6 N5 O2 P Ru -","- C74 H62 F12 N10 O4 P2 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1327","0.0942","","","0.2165","0.237","","","","","","1.136","","","","has coordinates,has disorder","257614","2020-10-21","18:00:00",""
"7240091","13.592","0.0011","13.6081","0.0011","14.0589","0.0012","64.306","0.002","73.922","0.004","64.168","0.003","2096.6","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H34 Cl3 F6 N5 P Ru -","- C43 H34 Cl3 F6 N5 P Ru -","- C86 H68 Cl6 F12 N10 P2 Ru2 -","2","1","","Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo","The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst","Green Chemistry","2020","22","7","2279","2287","10.1039/D0GC00331J","","","0.71073","MoKα","","0.1117","0.0635","","","0.1569","0.185","","","","","","1.046","","","","has coordinates,has disorder","257614","2020-10-21","18:00:00",""
"7240097","16","0.002","6.7252","0.0009","30.665","0.004","90","","98.08","0.01","90","","3266.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54178","CuKα","","0.1769","0.07","","","0.139","0.1832","","","","","","1.016","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240098","8.949","0.005","21.987","0.006","8.156","0.004","90","","103.14","0.04","90","","1562.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.0743","0.0517","","","0.1309","0.1459","","","","","","1.016","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240099","14.488","0.008","6.787","0.002","16.457","0.008","90","","98.99","0.05","90","","1598.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1829","0.0616","","","0.1171","0.1586","","","","","","1","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240100","4.875","0.004","13.717","0.017","14.116","0.011","112.92","0.09","96.63","0.08","92.67","0.11","859.3","1.6","274","2","274","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C38 H36 N8 O2 -","2","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1238","0.0608","","","0.115","0.1383","","","","","","1.037","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240101","7.175","0.003","14.95","0.008","13.418","0.012","90","","95.31","0.03","90","","1433.1","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N4 O -","- C15 H18 N4 O -","- C60 H72 N16 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1043","0.0588","","","0.1132","0.1292","","","","","","1.053","","","","has coordinates,has disorder","250378","2020-10-21","18:00:00",""
"7240102","8.499","0.006","8.283","0.006","23.92","0.02","90","","94.86","0.03","90","","1678","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Barboza, Cristina A.; Gawrys, Pawel; Banasiewicz, Marzena; Suwinska, Kinga; Sobolewski, Andrzej L.","Photophysical transformations induced by chemical substitution to salicylaldimines.","Physical chemistry chemical physics : PCCP","2020","22","12","6698","6705","10.1039/d0cp00110d","","","1.54184","CuKα","","0.1489","0.0868","","","0.1595","0.1848","","","","","","1.087","","","","has coordinates","250378","2020-10-21","18:00:00",""
"7240126","24.951","0.003","24.951","0.003","34.647","0.005","90","","90","","90","","21570","5","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C84 H90 N12 O6 -","- C84 H90 N12 O6 -","- C672 H720 N96 O48 -","8","1","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","synchrotronMonochr","","0.1283","0.1126","","","0.2724","0.2831","","","","","","1.076","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240127","18.197","0.002","18.1795","0.0016","23.1831","0.0019","90","","100.957","0.006","90","","7529.4","1.2","123","2","123","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C124 H144 N16 O8 -","- C124 H144 N16 O8 -","- C248 H288 N32 O16 -","2","0.5","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","MoKα","","0.1025","0.0656","","","0.1575","0.1698","","","","","","1.012","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240128","15.7706","0.0004","15.7706","0.0004","23.9901","0.0014","90","","90","","90","","5966.6","0.4","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H80 N8 O8 -","- C62 H80 N8 O8 -","- C248 H320 N32 O32 -","4","0.5","","Zhang, Lei; Liang, Rongran; Hang, Cheng; Wang, Haiying; Sun, Lin; Xu, Lei; Liu, Dairong; Zhang, Zhenyi; Zhang, Xingmin; Chang, Feifan; Zhao, Shengyu; Huang, Wei","A facile solution-phase synthetic approach for constructing phenol-based porous organic cages and covalent organic frameworks","Green Chemistry","2020","22","8","2498","2504","10.1039/C9GC04033A","","","0.71073","MoKα","","0.0579","0.0474","","","0.1117","0.1167","","","","","","1.052","","","","has coordinates","257580","2020-10-21","18:00:00",""
"7240160","10.1043","0.0008","12.8257","0.0009","12.9176","0.0009","90","","104.397","0.008","90","","1621.5","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H26 Cl7 N O2 -","- C30 H26 Cl7 N O2 -","- C60 H52 Cl14 N2 O4 -","2","1","","Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.","Efficient iron catalyzed ligand-free access to acridines and acridinium ions","Green Chemistry","2020","22","10","3178","3185","10.1039/D0GC00617C","","x-ray","0.71073","MoKα","","0.107","0.0895","","","0.2242","0.2535","","","","","","1.047","","","","has coordinates","257572","2020-10-21","18:00:00",""
"7240161","8.2718","0.0008","10.4182","0.0009","13.163","0.0011","113.112","0.008","93.907","0.007","91.575","0.008","1039.06","0.17","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F N O2 -","- C27 H22 F N O2 -","- C54 H44 F2 N2 O4 -","2","1","","Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.","Efficient iron catalyzed ligand-free access to acridines and acridinium ions","Green Chemistry","2020","22","10","3178","3185","10.1039/D0GC00617C","","","1.54184","CuKα","","0.1112","0.0926","","","0.2442","0.2934","","","","","","1.0727","","","","has coordinates","257572","2020-10-21","18:00:00",""
"7240162","11.29376","0.00013","7.62235","0.00009","6.81817","0.00008","90","","90","","90","","586.942","0.012","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","Ammine_Magnesium_Borohydride","","","- B2 H11 Mg N -","- B2 H11 Mg N -","- B8 H44 Mg4 N4 -","4","0.5","","Yan, Yigang; Dononelli, Wilke; Jørgensen, Mathias; Grinderslev, Jakob B.; Lee, Young-Su; Cho, Young Whan; Černý, Radovan; Hammer, Bjørk; Jensen, Torben R.","The mechanism of Mg<sup>2+</sup> conduction in ammine magnesium borohydride promoted by a neutral molecule.","Physical chemistry chemical physics : PCCP","2020","22","17","9204","9209","10.1039/d0cp00158a","powder diffraction","","","Synchrotron","","","","","","","","","5.4605","12.5","","","","","","","has coordinates","253994","2020-10-21","18:00:00",""
"7240163","7.9785","0.0003","12.9974","0.0005","15.954","0.0006","90","","90.022","0.004","90","","1654.43","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(2,4-pentanedionato-O,O')-vanadium(iii)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C60 H84 O24 V4 -","4","1","","Andersen, Anders B. A.; Pyykkönen, Ari; Jensen, Hans Jørgen Aa; McKee, Vickie; Vaara, Juha; Nielsen, Ulla Gro","Remarkable reversal of <sup>13</sup>C-NMR assignment in d<sup>1</sup>, d<sup>2</sup> compared to d<sup>8</sup>, d<sup>9</sup> acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations.","Physical chemistry chemical physics : PCCP","2020","22","15","8048","8059","10.1039/d0cp00980f","","x-ray","1.54184","CuKα","","0.0474","0.0465","","","0.1274","0.1291","","","","","","1.064","","","","has coordinates","251738","2020-10-21","18:00:00",""
"7240203","15.6052","0.0005","15.8374","0.0006","18.1718","0.0005","90","","90","","90","","4491.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-62","Zn(Im)1.72(bIm)0.28","","- C16.69 H18.62 N8 O0.83 Zn2 -","- C16.774 H19.807 N8 O0.827 Zn2 -","- C134.192 H158.456 N64 O6.616 Zn16 -","8","1","","Thorne, Michael F.; Gómez, María Laura Ríos; Bumstead, Alice M.; Li, Shichun; Bennett, Thomas D.","Mechanochemical synthesis of mixed metal, mixed linker, glass-forming metal–organic frameworks","Green Chemistry","2020","22","8","2505","2512","10.1039/D0GC00546K","","x-ray","1.54184","CuKα","","0.0503","0.045","","","0.1313","0.1374","","","","","","1.054","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7240214","7.9995","0.0003","14.2069","0.0006","21.3942","0.0009","90","","100.552","0.004","90","","2390.29","0.17","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C124 H112 N8 O8 -","4","1","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.0762","0.0494","","","0.1291","0.1452","","","","","","1.023","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240215","9.3283","0.0007","10.2674","0.0008","13.0289","0.0009","79.338","0.006","87.728","0.006","73.749","0.007","1177.23","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C62 H56 N4 O4 -","2","1","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.0951","0.0512","","","0.1261","0.1545","","","","","","1.011","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240216","12.0942","0.0009","14.502","0.0009","28.554","0.002","90","","90.589","0.007","90","","5007.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C248 H224 N16 O16 -","8","2","","Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam","Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.","Physical chemistry chemical physics : PCCP","2020","22","16","8522","8534","10.1039/d0cp00521e","","x-ray","0.71073","MoKα","","0.1862","0.0883","","","0.2589","0.3318","","","","","","1.005","","","","has coordinates","251737","2020-10-21","18:00:00",""
"7240253","9.8022","0.0003","11.3939","0.0003","14.907","0.0004","88.3116","0.0011","89.7934","0.0011","65.7475","0.001","1517.23","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O2 Si -","- C18 H16 O2 Si -","- C72 H64 O8 Si4 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0538","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240254","8.6748","0.0002","9.4769","0.0002","11.2572","0.0003","65.78","0.001","88.888","0.001","66.382","0.001","761.58","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","1","0.5","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0254","0.0237","","","0.062","0.0628","","","","","","1.066","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240255","9.8517","0.0003","11.4503","0.0003","15.0058","0.0004","88.4868","0.0009","89.8466","0.001","65.3416","0.0009","1537.77","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Ge O2 -","- C18 H16 Ge O2 -","- C72 H64 Ge4 O8 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0517","0.0394","","","0.1003","0.1052","","","","","","1.069","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240256","9.563","0.0006","12.5988","0.0007","25.0296","0.0014","81.062","0.003","88.375","0.003","88.956","0.003","2977.5","0.3","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H48 Cl N O -","- C33 H48 Cl N O -","- C132 H192 Cl4 N4 O4 -","4","4","","Xu, Biping; Shang, Yaping; Jie, Xiaoming; Zhang, Xiaofeng; Kan, Jian; Yedage, Subhash Laxman; Su, Weiping","Synthesis of α-enaminones from cyclic ketones and anilines using oxoammonium salt as an oxygen transfer reagent","Green Chemistry","2020","22","6","1827","1831","10.1039/C9GC03845K","","","0.71073","MoKα","","0.0679","0.0503","","","0.1271","0.1453","","","","","","1.076","","","","has coordinates","257599","2020-10-21","18:00:00",""
"7240266","13.2745","0.0008","7.8001","0.0002","24.2247","0.0014","90","","129.278","0.01","90","","1941.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Gu, Guangmiao; Huang, Mengmeng; Kim, Jung Keun; Zhang, Jianye; Li, Yabo; Wu, Yangjie","Visible-light-induced photocatalyst-free C-3 functionalization of indoles with diethyl bromomalonate","Green Chemistry","2020","22","8","2543","2548","10.1039/D0GC00292E","","x-ray","1.54184","CuKα","","0.063","0.049","","","0.125","0.1387","","","","","","1.04","","","","has coordinates","257579","2020-10-21","18:00:00",""
"7240283","9.7382","0.0014","10.0324","0.0013","11.2964","0.0015","73.551","0.007","87.711","0.007","74.719","0.007","1020.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 I N6 O2 -","- C20 H18 I N6 O2 -","- C40 H36 I2 N12 O4 -","2","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.0532","0.0466","","","0.1191","0.124","","","","","","1.065","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240284","7.6849","0.0004","11.331","0.0005","14.1776","0.0007","94.684","0.002","94.245","0.002","106.982","0.002","1170.56","0.1","297.99","","297.99","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Cl I N6 O S -","- C22 H20 Cl I N6 O S -","- C44 H40 Cl2 I2 N12 O2 S2 -","2","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.022","0.0193","","","0.0469","0.0481","","","","","","1.095","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240285","21.618","0.003","7.8792","0.001","23.619","0.003","90","","90","","90","","4023.1","0.9","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N7 -","- C22 H16 I N7 -","- C176 H128 I8 N56 -","8","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.1005","0.0487","","","0.1005","0.1206","","","","","","1.021","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240286","8.0435","0.0006","11.5711","0.001","27.338","0.002","90","","95.054","0.005","90","","2534.5","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 I N6 O -","- C20 H15 I N6 O -","- C80 H60 I4 N24 O4 -","4","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.1421","0.0722","","","0.1699","0.1942","","","","","","1.041","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240295","4.1648","0.0003","10.9613","0.0006","12.044","0.0007","105.854","0.005","90.015","0.006","94.64","0.006","527.04","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","","Guo, Weiwei; Zhang, Qi; Cao, Yang; Cai, Kaihua; Zhang, Shengyong; Chai, Yonghai","Environmentally benign access to isoindolinones: synthesis, separation and resource recycling","Green Chemistry","2020","22","9","2873","2878","10.1039/D0GC00957A","","","1.54184","CuKα","","0.0548","0.042","","","0.1076","0.1181","","","","","","1.03","","","","has coordinates","257616","2020-10-21","18:00:00",""
"7240308","8.802","0.0009","9.0045","0.0008","10.8415","0.0011","83.765","0.004","86.631","0.004","72.048","0.004","812.31","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N3 O4 -","- C15 H16 Cl N3 O4 -","- C30 H32 Cl2 N6 O8 -","2","1","","Annes, Sesuraj Babiola; Saritha, Rajendhiran; Subramanian, Saravanan; Shankar, Bhaskaran; Ramesh, Subburethinam","Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon","Green Chemistry","2020","22","8","2388","2393","10.1039/D0GC00162G","","","0.71073","MoKα","","0.048","0.0395","","","0.0999","0.1057","","","","","","1.036","","","","has coordinates","257577","2020-10-21","18:00:00",""
"7240309","5.6602","0.0005","19.0351","0.0018","10.7528","0.001","90","","102.926","0.001","90","","1129.18","0.18","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Annes, Sesuraj Babiola; Saritha, Rajendhiran; Subramanian, Saravanan; Shankar, Bhaskaran; Ramesh, Subburethinam","Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon","Green Chemistry","2020","22","8","2388","2393","10.1039/D0GC00162G","","","0.71073","MoKα","","0.0434","0.0398","","","0.11","0.1143","","","","","","1.07","","","","has coordinates","257577","2020-10-21","18:00:00",""
"7240310","6.7032","0.0006","8.5139","0.0009","22.447","0.002","90","","90","","90","","1281.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O S -","- C13 H14 N2 O S -","- C52 H56 N8 O4 S4 -","4","1","","Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan","Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen","Green Chemistry","2020","22","9","2956","2962","10.1039/D0GC00070A","","","0.71073","MoKα","","0.1043","0.0537","","","0.0972","0.1177","","","","","","1.125","","","","has coordinates,has disorder","257617","2020-10-21","18:00:00",""
"7240311","8.1026","0.0007","15.7929","0.0013","8.4783","0.0008","90","","104.183","0.003","90","","1051.84","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan","Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen","Green Chemistry","2020","22","9","2956","2962","10.1039/D0GC00070A","","","0.71073","MoKα","","0.0504","0.0371","","","0.0929","0.1027","","","","","","1.039","","","","has coordinates","257617","2020-10-21","18:00:00",""
"7240335","20.337","0.003","10.3082","0.0006","19.214","0.002","90","","94.041","0.011","90","","4018","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cu F18 N2 O6 -","- C29 H30 Cu F18 N2 O6 -","- C116 H120 Cu4 F72 N8 O24 -","4","1","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1739","0.0891","","","0.2499","0.3279","","","","","","1.028","","","","has coordinates","253996","2020-10-21","18:00:00",""
"7240336","10.0639","0.0011","19.418","0.002","34.924","0.004","90","","90","","90","","6824.9","1.3","170","2","170.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cu F18 N2 O6 -","- C25 H22 Cu F18 N2 O6 -","- C200 H176 Cu8 F144 N16 O48 -","8","1","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.0582","0.0539","","","0.1313","0.1339","","","","","","1.104","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240337","105.18","0.02","14.433","0.003","20.46","0.005","90","","101.531","0.011","90","","30433","11","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 F18 N2 Ni O6 -","- C29 H30 F18 N2 Ni O6 -","- C928 H960 F576 N64 Ni32 O192 -","32","4","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1581","0.0969","","","0.2742","0.3297","","","","","","1.036","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240338","107.271","0.005","14.8819","0.0007","20.6549","0.0009","90","","100.871","0.002","90","","32382","3","271","2","271","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Co F18 N2 O6 -","- C29 H30 Co F18 N2 O6 -","- C928 H960 Co32 F576 N64 O192 -","32","4","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.1426","0.1004","","","0.2381","0.263","","","","","","0.982","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240348","8.8174","0.0005","10.8226","0.0008","15.236","0.0012","99.763","0.007","100.739","0.005","96.909","0.005","1390.35","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-bromobenzoate-tin-tetraiodoporphrin","","","- C58 H32 Br2 I4 N4 O4 Sn -","- C58 H32 Br2 I4 N4 O4 Sn -","- C58 H32 Br2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan","Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins.","Physical chemistry chemical physics : PCCP","2020","22","20","11558","11566","10.1039/d0cp00351d","","","0.71073","MoKα","","0.0941","0.0575","","","0.1512","0.1669","","","","","","1.052","","","","has coordinates,has disorder","253997","2020-10-21","18:00:00",""
"7240349","9.753","0.0002","10.7232","0.0002","15.0866","0.0003","99.562","0.001","103.457","0.002","93.415","0.002","1505.21","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Chlorobenzoate-tin-tetraiodoporphrin","","","- C58 H32 Cl2 I4 N4 O4 Sn -","- C58 H32 Cl2 I4 N4 O4 Sn -","- C58 H32 Cl2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Grover, Vratta; Dhamija, Swati; Titi, Hatem M.; Patra, Ranjan","Computational insight into the halogen bonded self-assembly of hexa-coordinated metalloporphyrins.","Physical chemistry chemical physics : PCCP","2020","22","20","11558","11566","10.1039/d0cp00351d","","","0.71073","MoKα","","0.0517","0.0433","","","0.1155","0.1211","","","","","","1.078","","","","has coordinates","253997","2020-10-21","18:00:00",""
"7240350","10.0767","0.0001","20.4313","0.0001","13.8429","0.0001","90","","109.817","0.001","90","","2681.2","0.04","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Bi -","- C36 H27 Bi -","- C144 H108 Bi4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54184","CuKα","","0.0269","0.0235","","","0.0568","0.0586","","","","","","1.082","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240351","15.1772","0.0005","6.7889","0.0003","19.209","0.0007","90","","99.773","0.003","90","","1950.51","0.13","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H21 Bi -","- C25 H21 Bi -","- C100 H84 Bi4 -","4","2","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54184","CuKα","","0.0591","0.0533","","","0.1422","0.1489","","","","","","1.092","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240352","9.3194","0.0009","9.6034","0.0009","12.8339","0.0012","108.743","0.003","99.713","0.003","103.712","0.003","1018.57","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 Bi I -","- C24 H19 Bi I -","- C48 H38 Bi2 I2 -","2","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0545","0.0526","","","0.1411","0.1427","","","","","","1.087","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240353","9.4889","0.0009","9.9731","0.0009","14.6288","0.0013","102.42","0.003","93.506","0.003","92.701","0.003","1346.9","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Bi2 I4 -","- C24 H18 Bi2 I4 -","- C48 H36 Bi4 I8 -","2","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0253","0.0241","","","0.0601","0.0609","","","","","","1.131","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240354","7.5467","0.0005","9.2977","0.0005","18.6372","0.0012","90","","94.936","0.006","90","","1302.87","0.14","293","7","293","7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Bi Br2 -","- C12 H9 Bi Br2 -","- C48 H36 Bi4 Br8 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0536","0.039","","","0.0936","0.103","","","","","","1.076","","","","has coordinates,has disorder","253998","2020-10-21","18:00:00",""
"7240355","10.0086","0.0007","20.2781","0.0014","13.7772","0.001","90","","109.442","0.002","90","","2636.7","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Sb -","- C36 H27 Sb -","- C144 H108 Sb4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0205","0.0187","","","0.0469","0.0481","","","","","","1.045","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240356","9.9115","0.0007","15.7922","0.0009","13.3369","0.0008","90","","107.717","0.007","90","","1988.5","0.2","115.7","1","115.7","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Bi Br -","- C24 H18 Bi Br -","- C96 H72 Bi4 Br4 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0447","0.031","","","0.0624","0.0675","","","","","","1.041","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240357","7.6237","0.0007","9.0462","0.0008","17.654","0.0017","90","","90","","90","","1217.52","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Bi Cl2 -","- C12 H9 Bi Cl2 -","- C48 H36 Bi4 Cl8 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0224","0.0204","","","0.0449","0.0457","","","","","","0.818","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240358","9.9371","0.0003","11.3295","0.0004","17.9137","0.0006","78.588","0.001","86.69","0.001","78.695","0.001","1938.16","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 Bi Cl -","- C24 H18 Bi Cl -","- C96 H72 Bi4 Cl4 -","4","2","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","1.54178","CuKα","","0.0222","0.021","","","0.0521","0.0528","","","","","","1.09","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240411","6.0178","0.0013","10.934","0.002","22.509","0.005","90","","95.035","0.004","90","","1475.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0571","0.0452","","","0.1197","0.1278","","","","","","1.055","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240412","8.3601","0.0007","8.3601","0.0007","13.3968","0.0012","90","","90","","120","","810.88","0.12","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C42 H30 O6 -","3","0.5","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0313","0.0295","","","0.0685","0.0695","","","","","","1.105","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240413","19.711","0.002","7.4314","0.0009","20.568","0.002","90","","90","","90","","3012.8","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.1048","0.0611","","","0.1553","0.2427","","","","","","1.156","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240414","23.502","0.002","3.9358","0.0003","15.1235","0.0012","90","","105.082","0.002","90","","1350.72","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O4 -","- C17.024 H14 O4 -","- C68.096 H56 O16 -","4","0.5","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0537","0.0379","","","0.0865","0.0944","","","","","","1.044","","","","has coordinates,has disorder","257606","2020-10-21","18:00:00",""
"7240415","9.3322","0.0005","10.0321","0.0005","11.8425","0.0006","95.845","0.002","105.956","0.002","109.513","0.002","981.56","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.0566","0.0397","","","0.1006","0.1081","","","","","","1.139","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240416","8.2958","0.0008","7.8128","0.0007","14.5059","0.0016","90","","98.757","0.003","90","","929.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F O2 -","- C11 H9 F O2 -","- C44 H36 F4 O8 -","4","1","","Zhang, Zhipeng; Yu, Yang; Xie, Yuxing; Hughes, Timothy; Xu, Jun; Huang, Fei; Huang, He","Catalytic C‒C coupling of diazo compounds with arylboronic acids: using surface modified sewage sludge as catalyst","Green Chemistry","2020","22","13","4165","4173","10.1039/D0GC00317D","","","0.71073","MoKα","","0.0586","0.0487","","","0.1343","0.1458","","","","","","1.031","","","","has coordinates","257603","2020-10-21","18:00:00",""
"7240443","38.544","0.004","5.1102","0.0009","11.6487","0.0018","90","","90","","90","","2294.4","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","2","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.1406","0.0712","","","0.1668","0.2128","","","","","","0.934","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240444","20.486","0.002","3.9298","0.0004","13.6374","0.0012","90","","90","","90","","1097.89","0.18","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.0852","0.0542","","","0.1367","0.1603","","","","","","1.004","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240445","11.864","0.003","11.162","0.003","13.889","0.005","90","","99.31","0.03","90","","1815","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.2181","0.0746","","","0.1287","0.1705","","","","","","0.884","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240446","20.522","0.005","3.8101","0.0012","26.193","0.008","90","","102.39","0.03","90","","2000.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C88 H72 N8 O32 -","8","1","","Hadian, Mojgan; Shaabani, Shabnam; Patil, Pravin; Shishkina, Svitlana V.; Böltz, Harry; Dömling, Alexander","Sustainability by design: automated nanoscale 2,3,4-trisubstituted quinazoline diversity","Green Chemistry","2020","22","8","2459","2467","10.1039/D0GC00363H","","","0.71073","MoKα","","0.2002","0.0758","","","0.1904","0.247","","","","","","0.858","","","","has coordinates","257582","2020-10-21","18:00:00",""
"7240449","9.3207","0.0008","10.8786","0.0012","14.8658","0.001","95.037","0.007","96.282","0.006","100.049","0.008","1466.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N O5 -","- C35 H35 N O5 -","- C70 H70 N2 O10 -","2","1","","Ma, Xiao-Pan; Nong, Cai-Mei; Liang, Yu-Feng; Xu, Pei-Pei; Guo, Xiu-Yun; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","An Yb(OTf)3 and visible light relay catalyzed [3 + 2] cycloaddition/[3,3]-rearrangement/[4 + 2] cycloaddition in one pot to prepare oxazonine-fused endoperoxides","Green Chemistry","2020","22","12","3827","3834","10.1039/D0GC00929F","","","0.71073","MoKα","","0.1101","0.0581","","","0.1216","0.1575","","","","","","1.057","","","","has coordinates","257622","2020-10-21","18:00:00",""
"7240475","11.8146","0.0005","12.7494","0.0006","12.7733","0.0006","74.285","0.002","63.823","0.002","83.926","0.002","1661.94","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Au N P S -","- C42 H35 Au N P S -","- C84 H70 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0402","0.0262","","","0.0462","0.0496","","","","","","1.019","","","","has coordinates","254000","2020-10-21","18:00:00",""
"7240476","12.571","0.0008","12.7256","0.0008","13.7715","0.0009","104.775","0.002","104.891","0.002","111.277","0.002","1829.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H53 Au N P S -","- C42 H53 Au N P S -","- C84 H106 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0268","0.0215","","","0.0446","0.0463","","","","","","1.136","","","","has coordinates","254000","2020-10-21","18:00:00",""
"7240477","14.8591","0.0008","15.918","0.0008","24.8004","0.0014","91.478","0.002","98.399","0.002","114.388","0.002","5261.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.61 H67.34 Au N3 S -","- C59.61 H67.34 Au N3 S -","- C238.44 H269.36 Au4 N12 S4 -","4","2","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.054","0.0346","","","0.0871","0.0948","","","","","","1.042","","","","has coordinates,has disorder","254000","2020-10-21","18:00:00",""
"7240483","18.0015","0.0014","18.7263","0.0015","18.8837","0.0016","90","","90","","90","","6365.7","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[4-(2-fluorphenoxy)phenyl]triphenylphosphonium bistriflimide","","- C32 H23 F7 N O5 P S2 -","- C32 H23 F7 N O5 P S2 -","- C256 H184 F56 N8 O40 P8 S16 -","8","1","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0827","0.0579","","","0.1578","0.1854","","","","","","1.046","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240484","18.1884","0.0008","9.1975","0.0004","18.6788","0.0007","90","","90","","90","","3124.7","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","(4-phenoxyphenyl)triphenylphosphonium bistriflimide","","- C32 H24 F6 N O5 P S2 -","- C32 H24 F6 N O5 P S2 -","- C128 H96 F24 N4 O20 P4 S8 -","4","1","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","1.54178","CuKα","","0.0313","0.0303","","","0.0805","0.0813","","","","","","1.092","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240485","9.5981","0.0008","13.6324","0.0011","22.2398","0.0018","102.938","0.003","92.159","0.003","109.211","0.003","2658.5","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(4-fluorphenyl)triphenylphosphonium bistriflimide","","- C26 H19 F7 N O4 P S2 -","- C26 H19.0005 F6.9995 N O4 P S2 -","- C104 H76.002 F27.998 N4 O16 P4 S8 -","4","2","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0633","0.044","","","0.1172","0.1276","","","","","","1.035","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240486","18.0534","0.0013","19.0695","0.0014","20.2712","0.0015","90","","114.239","0.003","90","","6363.5","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[4-(3-fluorphenoxy)phenyl]triphenylphosphonium bistriflimide","","- C32 H23 F7 N O5 P S2 -","- C32 H23 F7 N O5 P S2 -","- C256 H184 F56 N8 O40 P8 S16 -","8","2","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0955","0.0534","","","0.1333","0.145","","","","","","1.021","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240489","9.0093","0.0002","9.0093","0.0002","11.2503","0.0004","90","","90","","120","","790.82","0.04","293","","293","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","catena-(ammonium bis(m2-oxalato)-scandium dihydrate)","","","- C4 N O10 Sc -","- C4 N O10 Sc -","- C12 N3 O30 Sc3 -","3","0.25","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.029","9.801","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240490","17.851","0.002","11.0413","0.0007","18.2806","0.0013","90","","104.189","0.002","90","","3493.2","0.5","253","2","253","","","","","","","","synthetic","5","I 1 2/a 1","-I 2ya","15","","Sodium scandium oxalate hexahydrate","","- C6 H10 Na3 O18 Sc -","- C6 H10 Na3 O18 Sc -","- C48 H80 Na24 O144 Sc8 -","8","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","0.71073","MoKα","","0.0596","0.0373","","","0.0829","0.0915","","","","","","1.033","","","","has coordinates,has disorder","257604","2020-10-21","18:00:00",""
"7240491","15.8839","0.0014","11.4558","0.001","22.7314","0.0019","90","","92.19","0.004","90","","4133.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 K3.5 O20 Sc -","- C7 H12 K3.5 O20 Sc -","- C56 H96 K28 O160 Sc8 -","8","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","1.54178","CuKα","","0.0606","0.0481","","","0.1263","0.1425","","","","","","1.052","","","","has coordinates,has disorder","257604","2020-10-21","18:00:00",""
"7240492","9.0427","0.0002","6.09117","0.00012","7.8999","0.0002","90","","90.182","0.003","90","","435.129","0.017","293","","293","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","catena-(ammonium bis(m2-oxalato)-ytterbium hydrate)","","","- C4 N O9 Yb -","- C4 N O9 Yb -","- C8 N2 O18 Yb2 -","2","0.5","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.015","3.396","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240493","8.4883","0.0002","9.3894","0.0003","9.7552","0.0002","98.255","0.002","91.154","0.002","96.544","0.003","763.89","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","catena-(potassium bis(m2-oxalato)-europium hydrate)","","","- C6 Eu K3 O15 -","- C6 Eu K3 O15 -","- C12 Eu2 K6 O30 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.023","2.282","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240494","8.4795","0.0008","9.3708","0.0009","9.7323","0.0009","98.377","0.004","91.097","0.004","96.629","0.004","759.45","0.12","100","2","100","","","","","","","","synthetic","5","P -1","-P 1","2","","Tripotassium gadolinium oxalate trihydrate","","- C6 H6 Gd K3 O15 -","- C6 H6 Gd K3 O15 -","- C12 H12 Gd2 K6 O30 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","","0.71073","MoKα","","0.021","0.0174","","","0.0369","0.0379","","","","","","1.046","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240495","9.5867","0.0002","6.64358","0.00016","6.25859","0.00016","98.1966","0.0017","99.4509","0.0019","75.113","0.002","377.889","0.016","293","","293","","","","","","","","","3","P -1","-P 1","2","catena-(tetra-aqua-tris(m2-oxalato-O,O',O'',O''')-di-lutecium(iii)) dihydrate","","","- C3 Lu O9 -","- C3 Lu O9 -","- C6 Lu2 O18 -","2","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.027","5.391","","","","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240496","11.4151","0.0008","12.6781","0.0009","11.4093","0.0008","90","","111.9","0.002","90","","1532.02","0.19","100","2","100","","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","","Potassium scandium oxalate","","- C6 H8 K3 O16 Sc -","- C6 H8 K3 O16 Sc -","- C24 H32 K12 O64 Sc4 -","4","0.5","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","0.71073","MoKα","","0.0184","0.018","","","0.0474","0.0478","","","","","","1.102","","","","has coordinates","257604","2020-10-21","18:00:00",""
"7240578","12.2892","0.0004","20.1324","0.0004","18.9867","0.0005","90","","102.411","0.003","90","","4587.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 O28 P4 V10 -","- C96 H80 O28 P4 V10 -","- C192 H160 O56 P8 V20 -","2","0.5","","Li, Chifeng; Mizuno, Noritaka; Murata, Kei; Ishii, Kazuyuki; Suenobu, Tomoyoshi; Yamaguchi, Kazuya; Suzuki, Kosuke","Selectivity switch in the aerobic oxygenation of sulfides photocatalysed by visible-light-responsive decavanadate","Green Chemistry","2020","22","12","3896","3905","10.1039/D0GC01500H","","","0.71073","MoKα","","0.0796","0.0521","","","0.1163","0.1285","","","","","","1.017","","","","has coordinates","257624","2020-10-21","18:00:00",""
"7240623","9.8122","0.0006","20.4453","0.0011","15.9721","0.0008","90","","104.283","0.002","90","","3105.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 Th -","- C27 H25 N7 O15 Th -","- C108 H100 N28 O60 Th4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0399","0.0251","","","0.0629","0.0755","","","","","","1.096","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240624","9.8225","0.0008","20.3779","0.0015","15.9018","0.0012","90","","104.149","0.003","90","","3086.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 U -","- C27 H25 N7 O15 U -","- C108 H100 N28 O60 U4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0202","0.0168","","","0.0426","0.0446","","","","","","0.987","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240625","9.8352","0.0004","20.3151","0.0009","15.8431","0.0007","90","","103.807","0.001","90","","3074","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 Np O15 -","- C27 H25 N7 Np O15 -","- C108 H100 N28 Np4 O60 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0277","0.02","","","0.0432","0.0501","","","","","","1.138","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240626","9.8486","0.0004","20.3166","0.0008","15.8306","0.0006","90","","103.965","0.001","90","","3073.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N7 O15 Pu -","- C27 H25 N7 O15 Pu -","- C108 H100 N28 O60 Pu4 -","4","1","","Autillo, Matthieu; Islam, Md Ashraful; Jung, Julie; Pilmé, Julien; Galland, Nicolas; Guerin, Laetitia; Moisy, Philippe; Berthon, Claude; Tamain, Christelle; Bolvin, Hélène","Crystallographic structure and crystal field parameters in the [An<sup>IV</sup>(DPA)<sub>3</sub>]<sup>2-</sup> series, An = Th, U, Np, Pu.","Physical chemistry chemical physics : PCCP","2020","22","25","14293","14308","10.1039/d0cp02137g","","","0.71073","MoKα","","0.0194","0.0184","","","0.0531","0.0544","","","","","","0.958","","","","has coordinates","253995","2020-10-21","18:00:00",""
"7240659","7.8705","0.0005","10.1489","0.0007","23.9418","0.0013","90","","93.881","0.002","90","","1908","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","trans-Spirodiol (CHCl3)","3-trans","","- C20 H34 O6 -","- C20 H34 O6 -","- C80 H136 O24 -","4","1","","Bonjour, Olivier; Liblikas, Ilme; Pehk, Tõnis; Khai-Nghi, Truong; Rissanen, Kari; Vares, Lauri; Jannasch, Patric","Rigid biobased polycarbonates with good processability based on a spirocyclic diol derived from citric acid","Green Chemistry","2020","22","12","3940","3951","10.1039/D0GC00849D","","","0.71073","MoKα","","0.1292","0.0997","","","0.2398","0.2549","","","","","","1.096","","","","has coordinates,has disorder","257623","2020-10-21","18:00:00",""
"7240671","9.15686","0.00013","13.9511","0.0002","14.2096","0.0002","90","","101.125","0.0014","90","","1781.14","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Wang, Ze-Shu; Chen, Yang-Bo; Wang, Kun; Xu, Zhou; Ye, Long-Wu","One-pot synthesis of 2-hydroxymethylindoles via photoredox-catalyzed ketyl‒ynamide coupling/1,3-allylic alcohol transposition","Green Chemistry","2020","22","14","4483","4488","10.1039/D0GC01522A","","","1.54184","CuKα","","0.0377","0.0335","","","0.0822","0.0886","","","","","","1.12","","","","has coordinates","257607","2020-10-21","18:00:00",""
"7240672","25.4166","0.0016","16.5833","0.001","14.6422","0.0008","90","","105.981","0.002","90","","5933","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C69 H56 Cu F6 N2 O3 P3 -","- C69 H56 Cu F6 N2 O3 P3 -","- C276 H224 Cu4 F24 N8 O12 P12 -","4","1","","Forero-Cortés, Paola A.; Marx, Maximilian; Moustakas, Nikolaos G.; Brunner, Fabian; Housecroft, Catherine E.; Constable, Edwin C.; Junge, Henrik; Beller, Matthias; Strunk, Jennifer","Transferring photocatalytic CO2 reduction mediated by Cu(N^N)(P^P)+ complexes from organic solvents into ionic liquid media","Green Chemistry","2020","22","14","4541","4549","10.1039/D0GC01627F","","","0.71073","MoKα","","0.0368","0.0343","","","0.0851","0.0867","","","","","","1.038","","","","has coordinates","257608","2020-10-21","18:00:00",""
"7240678","5.2044","0.0002","14.896","0.0007","25.4784","0.001","90","","90","","90","","1975.21","0.14","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","DL-Phe-NTA","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Bai, Tianwen; Shen, Bo; Cai, Da; Luo, Yifan; Zhou, Peng; Xia, Jingya; Zheng, Botuo; Zhang, Ke; Xie, Rongze; Ni, Xufeng; Xu, Maosheng; Ling, Jun; Sun, Jihong","Understanding ring-closing and racemization to prepare α-amino acid NCA and NTA monomers: a DFT study.","Physical chemistry chemical physics : PCCP","2020","22","26","14868","14874","10.1039/d0cp01174f","","","0.71073","MoKα","","0.0375","0.0315","","","0.0721","0.075","","","","","","1.03","","","","has coordinates","255106","2020-10-21","18:00:00",""
"7240682","10.3143","0.0011","13.9869","0.0012","20.0442","0.0009","90","","99.155","0.018","90","","2854.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Cl N2 O4 -","- C33 H33 Cl N2 O4 -","- C132 H132 Cl4 N8 O16 -","4","1","","Lei, Jie; Li, Yong; Xu, Jia; Tang, Dian-Yong; Shao, Jing-Wei; Li, Hong-yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","An acid-catalyzed 1,4-addition isocyanide-based multicomponent reaction in neat water","Green Chemistry","2020","22","12","3716","3720","10.1039/D0GC00652A","","","0.71073","MoKα","","0.1463","0.0607","","","0.1123","0.1398","","","","","","1.1102","","","","has coordinates","257625","2020-10-21","18:00:00",""
"7240708","9.783","0.0009","12.3051","0.0011","12.3219","0.0012","62.429","0.001","66.999","0.002","79.648","0.003","1210.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 I O3.5 S -","- C27 H26 I O3.5 S -","- C54 H52 I2 O7 S2 -","2","1","","Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Rong; Wang, Shi-Chao; Tu, Shu-Jiang; Jiang, Bo","Electrocatalytic three-component annulation-halosulfonylation of 1,6-enynes toward 1-indanones using sodium halides as both halogen sources and electrolytes","Green Chemistry","2020","22","13","4259","4269","10.1039/D0GC00771D","","","0.71073","MoKα","","0.1054","0.09","","","0.2178","0.2273","","","","","","1.058","","","","has coordinates","257605","2020-10-21","18:00:00",""
"7240736","13.6722","0.0004","21.2561","0.0006","8.9159","0.0002","90","","95.877","0.001","90","","2577.5","0.12","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxy-5-methylbenzoyl)-5-methylbenzaldehyde","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok","Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation","Green Chemistry","2020","22","14","4523","4531","10.1039/D0GC01011A","","","0.71073","MoKα","","0.058","0.0499","","","0.1428","0.1507","","","","","","1.067","","","","has coordinates","257611","2020-10-21","18:00:00",""
"7240737","7.3618","0.0003","7.4104","0.0002","25.4612","0.0009","90","","95.2808","0.0014","90","","1383.11","0.08","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-hydroxy-5-methylbenzoyl)-1-naphthaldehyde","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok","Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation","Green Chemistry","2020","22","14","4523","4531","10.1039/D0GC01011A","","","0.71073","MoKα","","0.0504","0.0429","","","0.1088","0.1157","","","","","","1.069","","","","has coordinates","257611","2020-10-21","18:00:00",""
"7240755","11.8025","0.0004","6.6554","0.0002","19.9584","0.0008","90","","90.687","0.002","90","","1567.63","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Liu, Yi; Meng, Ya-Nan; Huang, Xun-Jie; Qin, Fu-Hua; Wu, Dapeng; Shao, Qianjun; Guo, Zhiyong; Li, Qiang; Wei, Wen-Ting","Radical cyclization of 1,6-dienes with azobis(alkylcarbonitriles) on water under additive-free conditions","Green Chemistry","2020","22","14","4593","4596","10.1039/D0GC00140F","","","1.54178","CuKα","","0.0698","0.0482","","","0.1227","0.1363","","","","","","1.024","","","","has coordinates","257609","2020-10-21","18:00:00",""
"7240759","16.882","0.002","16.882","0.002","16.323","0.002","90","","90","","90","","4652.1","1","100","","100","","","","","","","","see text","3","I 41/a :2","-I 4ad","88","","","","- C40 H84 Si5 -","- C40 H84 Si5 -","- C160 H336 Si20 -","4","0.25","","Herz, Fabian A. D.; Nobis, Matthias; Wendel, Daniel; Pahl, Philipp; Altmann, Philipp J.; Tillmann, Jan; Weidner, Richard; Inoue, Shigeyoshi; Rieger, Bernhard","Application of multifunctional silylenes and siliranes as universal crosslinkers for metal-free curing of silicones","Green Chemistry","2020","22","14","4489","4497","10.1039/D0GC00272K","","x-ray","0.71073","MoKα","","0.0496","0.0431","","","0.1071","0.1125","","","","","","1.035","","","","has coordinates","257610","2020-10-21","18:00:00",""
"7240768","7.145","0.0006","10.3161","0.0009","12.2769","0.0011","101.41","0.003","103.927","0.003","93.498","0.002","855.32","0.13","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 F3 N3 O S2 -","- C17 H15 F3 N3 O S2 -","- C34 H30 F6 N6 O2 S4 -","2","1","","Li, Xiao-Yun; Liu, Yan; Chen, Xiao-Lan; Lu, Xin-Yuan; Liang, Xing-Xing; Zhu, Shan-Shan; Wei, Chuan-Wan; Qu, Ling-Bo; Yu, Bing","6π-Electrocyclization in water: microwave-assisted synthesis of polyheterocyclic-fused quinoline-2-thiones","Green Chemistry","2020","22","14","4445","4449","10.1039/C9GC04445K","","","0.71073","MoKα","","0.0629","0.052","","","0.1399","0.1501","","","","","","1.029","","","","has coordinates","257612","2020-10-21","18:00:00",""
"7240806","8.616","0.004","8.888","0.004","17.715","0.008","90","","96.499","0.009","90","","1347.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Co N18 -","- C6 H3 Co N18 -","- C24 H12 Co4 N72 -","4","1","","Wu, Shuo; Li, Min; Yang, Zhengyi; Xia, Zhengqiang; Liu, Bin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.","Synthesis and characterization of a new energetic metal‒organic framework for use in potential propellant compositions","Green Chemistry","2020","22","15","5050","5058","10.1039/D0GC01594F","","","0.71073","MoKα","","0.1007","0.053","","","0.1249","0.1496","","","","","","0.999","","","","has coordinates","257619","2020-10-21","18:00:00",""
"7240807","11.2054","0.0001","11.2054","0.0001","83.0175","0.0009","90","","90","","90","","10423.8","0.17","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H35 Cl2 N4 O2.5 -","- C22 H35 Cl2 N4 O2.5 -","- C352 H560 Cl32 N64 O40 -","16","2","","Esteve, Ferran; Altava, Belén; Burguete, M. Isabel; Bolte, Michael; García-Verdugo, Eduardo; Luis, Santiago V.","Pseudopeptidic macrocycles as cooperative minimalistic synzyme systems for the remarkable activation and conversion of CO2 in the presence of the chloride anion","Green Chemistry","2020","22","14","4697","4705","10.1039/D0GC01449D","","","1.54184","CuKα","","0.0748","0.07","","","0.1758","0.1783","","","","","","1.108","","","","has coordinates,has disorder","257613","2020-10-21","18:00:00",""
"7240814","4.352","0.0008","10.59","0.002","14.532","0.003","90","","98.269","0.002","90","","662.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C28 H20 F8 N4 O4 -","4","1","","Jiang, Xiaolin; Huang, Zijun; Makha, Mohamed; Du, Chen-Xia; Zhao, Dongmei; Wang, Fang; Li, Yuehui","Tetracoordinate borates as catalysts for reductive formylation of amines with carbon dioxide","Green Chemistry","2020","22","16","5317","5324","10.1039/D0GC01741H","","","0.71073","MoKα","","0.0474","0.0407","","","0.1345","0.1444","","","","","","0.999","","","","has coordinates","257602","2020-10-21","18:00:00",""
"7240826","10.5754","0.0005","14.0285","0.0007","14.1291","0.0009","106.091","0.002","98.004","0.002","106.36","0.0017","1878.03","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H53 Au N P S -","- C44 H53 Au N P S -","- C88 H106 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.055","0.034","","","0.0686","0.0737","","","","","","1.04","","","","has coordinates","253764","2020-10-21","18:00:00",""
"7240827","8.7524","0.0004","13.692","0.0006","16.4993","0.0008","114.397","0.0015","90.4473","0.0018","103.778","0.0016","1736.22","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35 Au N P S -","- C44 H35 Au N P S -","- C88 H70 Au2 N2 P2 S2 -","2","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0552","0.0316","","","0.052","0.0575","","","","","","1.015","","","","has coordinates","253764","2020-10-21","18:00:00",""
"7240828","15.0586","0.0005","17.686","0.0007","19.2675","0.0008","90","","90","","90","","5131.4","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53.78 H57.57 Au Cl1.57 N3 S -","- C53.784 H57.568 Au Cl1.568 N3 S -","- C215.136 H230.272 Au4 Cl6.272 N12 S4 -","4","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0614","0.0321","","","0.0517","0.0565","","","","","","0.951","","","","has coordinates,has disorder","253764","2020-10-21","18:00:00",""
"7240863","10.4389","0.0002","21.5791","0.0004","14.669","0.0003","90","","109.581","0.002","90","","3113.27","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 F12 N2 O4 Se2 -","- C26 H18 F12 N2 O4 Se2 -","- C104 H72 F48 N8 O16 Se8 -","4","1","","Lei, Yingjie; Yang, Ju; Wang, Yawen; Wang, Hongying; Zhan, Yue; Jiang, Xianxing; Xu, Zhaoqing","Metal-free fluoroalkylfluoroalkylselenolation of unactivated alkenes: incorporation of two photoinduced processes","Green Chemistry","2020","22","15","4878","4883","10.1039/C9GC03936H","","x-ray","1.54184","CuKα","","0.0685","0.0574","","","0.1539","0.1635","","","","","","1.036","","","","has coordinates","257618","2020-10-21","18:00:00",""
"7240906","18.731","0.008","16.579","0.007","21.872","0.01","90","","100.786","0.006","90","","6672","5","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C71 H76 O15 Ti4 -","- C71 H75.9999 O15 Ti4 -","- C284 H304 O60 Ti16 -","4","1","","Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian","Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction","Green Chemistry","2020","22","16","5325","5332","10.1039/D0GC01497D","","","0.71073","MoKα","","0.1416","0.0677","","","0.1446","0.1765","","","","","","1.028","","","","has coordinates,has disorder","257601","2020-10-21","18:00:00",""
"7240907","24.63","0.03","19.1","0.03","14.9","0.02","90","","90","","90","","7009","17","296.15","","296.15","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C68 H76 O24 Ti7 -","- C68 H76 O24 Ti7 -","- C272 H304 O96 Ti28 -","4","0.5","","Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian","Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction","Green Chemistry","2020","22","16","5325","5332","10.1039/D0GC01497D","","","0.71073","MoKα","","0.1629","0.0852","","","0.169","0.2079","","","","","","1.122","","","","has coordinates,has disorder","257601","2020-10-21","18:00:00",""
"7240916","9.1551","0.0002","11.365","0.0002","18.1448","0.0004","90","","94.124","0.001","90","","1883.04","0.07","124","2","124.58","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-benzyl-N-(3-oxo-1,3-diphenylprop-1-en-1-yl)acetamide","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0497","0.0385","","","0.089","0.0961","","","","","","1.07","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240917","14.3957","0.0007","9.8622","0.0005","14.7627","0.0007","90","","100.8","0.002","90","","2058.78","0.18","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F3 N O2 -","- C24 H18 F3 N O2 -","- C96 H72 F12 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0478","0.0439","","","0.1192","0.1234","","","","","","1.044","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240918","10.6923","0.0001","11.1552","0.0002","15.2475","0.0002","90","","97.358","0.001","90","","1803.67","0.04","170","2","170.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-benzoyl-3-phenylisoquinolin-2(1H)-yl)ethan-1-one","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.0454","0.0371","","","0.0872","0.0933","","","","","","1.039","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240919","12.9186","0.0012","11.6675","0.001","13.3986","0.0012","90","","109.007","0.004","90","","1909.4","0.3","185","2","185.32","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.1023","0.0778","","","0.2161","0.2502","","","","","","1.074","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240920","14.5135","0.0006","11.7884","0.0004","18.8103","0.0007","90","","108.09","0.002","90","","3059.2","0.2","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","2","","Zhao, Kai; Zhang, Xiao-Chen; Tao, Ji-Yu; Wu, Xian-Dan; Wu, Jia-Xu; Li, Wei-Ming; Zhu, Tong-Hao; Loh, Teck-Peng","Regio- and stereoselective C(sp2)‒H acylation of enamides with aldehydes via transition-metal-free photoredox catalysis","Green Chemistry","2020","22","16","5497","5503","10.1039/D0GC01947J","","","1.34139","GaKα","","0.097","0.0731","","","0.1901","0.2147","","","","","","1.031","","","","has coordinates","257600","2020-10-21","18:00:00",""
"7240937","8.97809","0.00014","8.97809","0.00014","6.4585","0.0003","90","","90","","90","","520.59","0.03","293","","293","","","","101","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","","1.54178","CuKα","","0.0597","0.0556","","0.0885","0.0885","0.0885","","","","","","1.1324","","","","has coordinates","258985","2020-11-06","13:19:11",""
"7240938","8.7712","0.0008","8.7712","0.0008","6.2436","0.0009","90","","90","","90","","480.34","0.09","293","","293","","","","1960000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0945","0.089","","0.2338","0.2159","0.2239","","","","","","0.9959","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240939","8.9435","0.0005","8.9435","0.0005","6.4253","0.0007","90","","90","","90","","513.94","0.07","293","","293","","","","375000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0403","0.0394","","0.0976","0.0968","0.0867","","","","","","0.9719","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240940","8.7949","0.0006","8.7949","0.0006","6.273","0.0008","90","","90","","90","","485.22","0.08","293","","293","","","","1650000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1056","0.1014","","0.2524","0.2364","0.2382","","","","","","1.0329","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240941","8.7425","0.0007","8.7425","0.0007","6.2161","0.0008","90","","90","","90","","475.1","0.08","293","","293","","","","2280000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1009","0.095","","0.2556","0.2345","0.2414","","","","","","0.986","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240942","8.8591","0.0006","8.8591","0.0006","6.3339","0.0008","90","","90","","90","","497.11","0.08","293","","293","","","","1060000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1277","0.1252","","0.3119","0.3035","0.2508","","","","","","1.0903","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240943","8.8963","0.0004","8.8963","0.0004","6.3753","0.0006","90","","90","","90","","504.57","0.06","293","","293","","","","740000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1136","0.1106","","0.2741","0.2657","0.2321","","","","","","0.9962","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240944","8.722","0.0011","8.722","0.0011","6.1933","0.0011","90","","90","","90","","471.14","0.12","293","","293","","","","2710000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0937","0.0871","","0.2254","0.208","0.2165","","","","","","1.0377","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240945","8.6076","0.0014","8.6076","0.0014","6.0602","0.0017","90","","90","","90","","449","0.16","293","","293","","","","4620000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0974","0.0861","","0.2746","0.2412","0.2746","","","","","","1.1104","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240946","8.6538","0.001","8.6538","0.001","6.122","0.0012","90","","90","","90","","458.47","0.12","293","","293","","","","3730000","","","","","4","P 4/m n c","-P 4 2n","128","","","","- Cl4 H12 N4 Pt2 -","- Cl4 H12 N4 Pt2 -","- Cl8 H24 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.1185","0.1095","","0.2961","0.2683","0.2895","","","","","","1.2444","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240947","10.3266","0.0008","10.3266","0.0008","6.4805","0.001","90","","90","","90","","691.07","0.13","293","","293","","","","250000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0919","0.0564","","0.3066","0.1675","0.1815","","","","","","0.8304","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240948","10.3078","0.0008","10.3078","0.0008","6.4712","0.001","90","","90","","90","","687.57","0.13","293","","293","","","","250000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0724","0.05","","0.2647","0.2053","0.1305","","","","","","0.9742","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240949","10.35151","0.00012","10.35151","0.00012","6.4977","0.0002","90","","90","","90","","696.25","0.02","293","","293","","","","101","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","","1.54178","CuKα","","0.0578","0.0501","","0.1428","0.1243","0.1428","","","","","","0.9642","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240950","10.1452","0.0013","10.1452","0.0013","6.3581","0.0011","90","","90","","90","","654.41","0.16","293","","293","","","","1230000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0614","0.046","","0.1972","0.1856","0.1295","","","","","","1.0129","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240951","10.0908","0.0014","10.0908","0.0014","6.3306","0.0017","90","","90","","90","","644.6","0.2","293","","293","","","","1610000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0756","0.0573","","0.231","0.2185","0.1481","","","","","","0.9901","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240952","10.056","0.002","10.056","0.002","6.32","0.003","90","","90","","90","","639.1","0.4","293","","293","","","","1920000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.0847","0.0517","","0.2131","0.1301","0.1517","","","","","","0.9801","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240953","10.1964","0.0007","10.1964","0.0007","6.3876","0.0009","90","","90","","90","","664.1","0.11","293","","293","","","","920000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.046","0.0317","","0.0971","0.0836","0.0971","","","","","","1.0234","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240954","10.2482","0.0007","10.2482","0.0007","6.4309","0.0009","90","","90","","90","","675.41","0.11","293","","293","","","","580000","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C4 H20 Cl4 N4 Pt2 -","- C4 H20 Cl4 N4 Pt2 -","- C8 H40 Cl8 N8 Pt4 -","2","0.125","","Richardson, Jonathan G.; Benjamin, Helen; Moggach, Stephen A.; Warren, Lisette R.; Warren, Mark R.; Allan, David R.; Saunders, Lucy K.; Morrison, Carole A.; Robertson, Neil","Probing the structural and electronic response of Magnus green salt compounds [Pt(NH<sub>2</sub>R)<sub>4</sub>][PtCl<sub>4</sub>] (R = H, CH<sub>3</sub>) to pressure.","Physical chemistry chemical physics : PCCP","2020","22","31","17668","17676","10.1039/d0cp03280h","","x-ray","0.4859","synchrotron","","0.078","0.0574","","0.243","0.1735","0.202","","","","","","0.9624","","","","has coordinates","258985","2020-11-06","13:19:12",""
"7240963","12.0991","0.0002","12.9247","0.0002","10.4969","0.0002","90","","100.474","0.0007","90","","1614.13","0.05","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F3 N2 O2 S -","- C15 H13 F3 N2 O2 S -","- C60 H52 F12 N8 O8 S4 -","4","1","","Nadiveedhi, Maheshwara Reddy; Cirandur, Suresh Reddy; Akondi, Srirama Murthy","Visible-light-promoted photocatalyst- and additive-free intermolecular trifluoromethyl-thio(seleno)cyanation of alkenes","Green Chemistry","2020","22","17","5589","5593","10.1039/D0GC01726D","","","0.71073","MoKα","","0.0924","0.0619","","","0.157","0.1791","","","","","","1.054","","","","has coordinates","257591","2020-10-21","18:00:00",""
"7240975","8.4001","0.0004","27.6987","0.0014","7.49","0.0004","90","","99.621","0.002","90","","1718.2","0.15","283","2","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N3 -","- C23 H15 N3 -","- C92 H60 N12 -","4","1","","Liu, Yan; Li, Aisen; Ma, Zhimin; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","Multicolored fluorescence variation of a new carbazole-based AIEE molecule by external stimuli.","Physical chemistry chemical physics : PCCP","2020","22","34","19195","19201","10.1039/d0cp02783a","","","0.71073","MoKα","","0.0851","0.05","","","0.124","0.158","","","","","","1.065","","","","has coordinates","258989","2020-11-06","13:20:14",""
"7241038","8.6346","0.0001","11.4963","0.0001","11.874","0.0002","65.995","0.001","87.948","0.001","71.81","0.001","1017.27","0.03","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Au Cl2 P -","- C18 H30 Au Cl2 P -","- C36 H60 Au2 Cl4 P2 -","2","1","","Ingner, Fredric J. L.; Giustra, Zachary X.; Novosedlik, Sebastian; Orthaber, Andreas; Gates, Paul J.; Dyrager, Christine; Pilarski, Lukasz T.","Mechanochemical synthesis of (hetero)aryl Au(i) complexes","Green Chemistry","2020","22","17","5648","5655","10.1039/D0GC02263B","","x-ray","0.71073","MoKα","","0.0552","0.0538","","","0.1384","0.1395","","","","","","1.127","","","","has coordinates","295866","2024-11-11","13:51:55",""
"7241039","8.6986","0.001","18.586","0.002","12.1084","0.0013","90","","90.975","0.002","90","","1957.3","0.4","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Au Cl F N P -","- C17 H29 Au Cl F N P -","- C68 H116 Au4 Cl4 F4 N4 P4 -","4","1","","Ingner, Fredric J. L.; Giustra, Zachary X.; Novosedlik, Sebastian; Orthaber, Andreas; Gates, Paul J.; Dyrager, Christine; Pilarski, Lukasz T.","Mechanochemical synthesis of (hetero)aryl Au(i) complexes","Green Chemistry","2020","22","17","5648","5655","10.1039/D0GC02263B","","","0.71073","MoKα","","0.0441","0.0322","","","0.0719","0.0745","","","","","","1.067","","","","has coordinates","257592","2020-10-21","18:00:00",""
"7241040","6.0757","0.0004","16.4664","0.0011","11.9301","0.0008","90","","98.44","0.002","90","","1180.62","0.14","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.2296","0.13","","","0.3559","0.4323","","","","","","1.141","","","","has coordinates","258988","2020-11-06","13:20:07",""
"7241041","10.3715","0.0004","10.426","0.0003","12.2917","0.0004","92.1911","0.0017","108.336","0.0017","108.655","0.0017","1181.03","0.07","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","1","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","1.54178","CuKα","","0.0555","0.0452","","","0.1261","0.1349","","","","","","1.063","","","","has coordinates","258988","2020-11-06","13:20:07",""
"7241042","31.5547","0.0016","6.137","0.0002","17.2488","0.0009","90","","119.126","0.0016","90","","2917.9","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 O2 -","- C41 H32 O2 -","- C164 H128 O8 -","4","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.0913","0.0646","","","0.1629","0.1882","","","","","","1.031","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241043","6.0678","0.0006","16.401","0.002","11.9151","0.0011","90","","98.556","0.007","90","","1172.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C68 H48 O4 -","2","1","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","0.71073","MoKα","","0.1203","0.0698","","","0.1546","0.1928","","","","","","1.028","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241044","31.3116","0.0019","6.1363","0.0003","17.3304","0.0011","90","","118.835","0.004","90","","2917","0.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H29 Cl O2 -","- C40 H29 Cl O2 -","- C160 H116 Cl4 O8 -","4","0.5","","Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis","Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism.","Physical chemistry chemical physics : PCCP","2020","22","35","19855","19863","10.1039/d0cp03109g","","","1.54178","CuKα","","0.0915","0.0655","","","0.1631","0.1791","","","","","","1.077","","","","has coordinates,has disorder","258988","2020-11-06","13:20:07",""
"7241086","5.923","0.003","8.454","0.004","10.773","0.005","78.722","0.006","76.248","0.006","86.236","0.006","513.8","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O -","- C13 H13 N O -","- C26 H26 N2 O2 -","2","1","","Bi, Hong-Yan; Li, Cheng-Jing; Wei, Cui; Liang, Cui; Mo, Dong-Liang","Copper-catalyzed tri- or tetrafunctionalization of alkenylboronic acids to prepare tetrahydrocarbazol-1-ones and indolo[2,3-a]carbazoles","Green Chemistry","2020","22","17","5815","5821","10.1039/D0GC01514H","","","0.71073","MoKα","","0.0549","0.0507","","","0.139","0.1435","","","","","","1.082","","","","has coordinates","257590","2020-10-21","18:00:00",""
"7241087","10.3801","0.0006","12.7791","0.0007","22.1745","0.0012","92.814","0.002","92.689","0.002","104.376","0.002","2840.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Ir2 N8 Na2 O23 S4 -","- C44 H36 Ir2 N8 Na2 O23 S4 -","- C88 H72 Ir4 N16 Na4 O46 S8 -","2","1","","Ainembabazi, Diana; Wang, Kai; Finn, Matthew; Ridenour, James; Voutchkova-Kostal, Adelina","Efficient transfer hydrogenation of carbonate salts from glycerol using water-soluble iridium N-heterocyclic carbene catalysts","Green Chemistry","2020","22","18","6093","6104","10.1039/D0GC01958E","","x-ray","0.71073","MoKα","","0.079","0.0554","","","0.1176","0.1275","","","","","","1.057","","","","has coordinates,has disorder","257621","2020-10-21","18:00:00",""
"7241108","9.8228","0.0004","15.994","0.0008","18.5143","0.0011","90","","104.008","0.002","90","","2822.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl4 N4 O4 -","- C24 H28 Cl4 N4 O4 -","- C96 H112 Cl16 N16 O16 -","4","1","","Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric","Counterintuitive torsional barriers controlled by hydrogen bonding.","Physical chemistry chemical physics : PCCP","2020","22","36","20602","20611","10.1039/d0cp03285a","","","0.71073","MoKα","","0.0624","0.0529","","","0.1511","0.1624","","","","","","1","","","","has coordinates","258986","2020-11-06","13:19:29",""
"7241109","9.6496","0.0005","12.0424","0.0008","19.8345","0.0013","81.278","0.002","82.463","0.002","70.074","0.002","2134","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O6 -","- C24 H26 O6 -","- C96 H104 O24 -","4","2","","Barbero, Héctor; Meunier, Antoine; Kotturi, Kondalarao; Smith, Ashton; Kyritsakas, Nathalie; Killmeyer, Adam; Rabbani, Ramin; Nazimuddin, Md; Masson, Eric","Counterintuitive torsional barriers controlled by hydrogen bonding.","Physical chemistry chemical physics : PCCP","2020","22","36","20602","20611","10.1039/d0cp03285a","","","0.71073","MoKα","","0.0631","0.0457","","","0.1208","0.1336","","","","","","1.007","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241129","11.37","0.0004","10.2878","0.0004","14.5801","0.0006","90","","97.519","0.004","90","","1690.8","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C84 H72 N8 O4 S4 -","4","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.0462","0.0382","","","0.0847","0.0901","","","","","","1.048","","","","has coordinates","258874","2020-11-06","12:32:13",""
"7241130","4.9241","0.0018","14.209","0.004","15.299","0.0016","90.853","0.015","96.934","0.019","99.1","0.03","1048.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.75 H22 N3 O1.75 S -","- C22.75 H22 N3 O1.75 S -","- C45.5 H44 N6 O3.5 S2 -","2","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.2222","0.107","","","0.2312","0.3136","","","","","","0.89","","","","has coordinates","258874","2020-11-06","12:32:14",""
"7241131","5.6915","0.0002","12.7636","0.0006","26.8264","0.0012","90","","90","","90","","1948.78","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 S -","- C25 H20 N2 S -","- C100 H80 N8 S4 -","4","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.0804","0.052","","","0.1068","0.1254","","","","","","1.042","","","","has coordinates","258874","2020-11-06","12:32:14",""
"7241146","8.5574","0.0002","9.8938","0.0002","14.8351","0.0004","91.403","0.001","93.658","0.001","97.92","0.001","1240.8","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H52 F4 N4 O12 -","- C54 H52 F4 N4 O12 -","- C54 H52 F4 N4 O12 -","1","1","","Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming","Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials","Green Chemistry","2020","22","18","6047","6054","10.1039/D0GC02063J","","","0.71073","MoKα","","0.036","0.0327","","","0.089","0.0973","","","","","","1.09","","","","has coordinates","257620","2020-10-21","18:00:00",""
"7241147","8.3081","0.0003","11.7497","0.0004","26.4644","0.0008","90","","90","","90","","2583.39","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl F2 N O4 -","- C24 H36 Cl F2 N O4 -","- C96 H144 Cl4 F8 N4 O16 -","4","1","","Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming","Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials","Green Chemistry","2020","22","18","6047","6054","10.1039/D0GC02063J","","","0.71073","MoKα","","0.0463","0.0373","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","257620","2020-10-21","18:00:00",""
"7241148","6.3536","0.0002","11.4414","0.0004","23.5584","0.0009","90","","92.688","0.003","90","","1710.67","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0828","0.0742","","","0.1977","0.2074","","","","","","1.037","","","","has coordinates","258983","2020-11-06","13:18:32",""
"7241149","6.27903","0.0001","10.62604","0.00017","25.7596","0.0004","90","","91.8497","0.0015","90","","1717.82","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0541","0.0506","","","0.1336","0.1382","","","","","","1.057","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241150","12.4558","0.0002","12.11252","0.00015","12.7411","0.0002","90","","113.325","0.002","90","","1765.16","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0856","0.0805","","","0.2187","0.2267","","","","","","1.057","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241151","8.73519","0.00009","9.35255","0.00009","21.1327","0.0002","90","","101.428","0.001","90","","1692.23","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen","Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives.","Physical chemistry chemical physics : PCCP","2020","22","37","21445","21452","10.1039/d0cp02881a","","x-ray","1.54184","CuKα","","0.0429","0.0411","","","0.1064","0.1088","","","","","","1.064","","","","has coordinates","258983","2020-11-06","13:18:33",""
"7241185","8.1097","0.0012","14.367","0.0019","16.622","0.002","90","","98.194","0.002","90","","1916.9","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl F N O8 -","- C19 H15 Cl F N O8 -","- C76 H60 Cl4 F4 N4 O32 -","4","1","","Chen, Li; Huang, Rong; Li, Kun; Yun, Xing-Han; Yang, Chang-Long; Yan, Sheng-Jiao","An environmentally benign cascade reaction of chromone-3-carboxaldehydes with ethyl 2-(pyridine-2-yl)acetate derivatives for highly site-selective synthesis of quinolizines and quinolizinium salts in water","Green Chemistry","2020","22","20","6943","6953","10.1039/D0GC02460K","","","0.71073","MoKα","","0.0628","0.0431","","","0.1061","0.1193","","","","","","1.034","","","","has coordinates","258879","2020-11-06","12:33:30",""
"7241224","9.61101","0.00018","10.7261","0.0002","15.5952","0.0003","90","","90","","90","","1607.69","0.05","296.63","0.16","296.63","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli","A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds","Green Chemistry","2020","22","21","7506","7512","10.1039/D0GC02134B","","x-ray","1.54184","CuKα","","0.0748","0.0726","","","0.1591","0.164","","","","","","1.115","","","","has coordinates","258882","2020-11-06","12:34:04",""
"7241225","8.4921","0.0002","13.5753","0.0004","15.0981","0.0005","90","","90","","90","","1740.55","0.09","295.88","0.16","295.88","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli","A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds","Green Chemistry","2020","22","21","7506","7512","10.1039/D0GC02134B","","x-ray","1.54184","CuKα","","0.069","0.0666","","","0.1623","0.1667","","","","","","1.116","","","","has coordinates","258882","2020-11-06","12:34:05",""
"7241226","8.352","0.0009","5.7066","0.0006","22.623","0.002","90","","91.45","0.003","90","","1077.9","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C44 H48 O20 -","- C44 H48 O20 -","- C44 H48 O20 -","1","0.5","","Wang, Pei-Long; Shen, Hui-Zhi; Cheng, Hui-Hui; Gao, Hui; Li, Pin-Hua","Electrochemical esterification reaction of alkynes with diols via cleavage of carbon‒carbon triple bonds without catalyst and oxidant","Green Chemistry","2020","22","20","6783","6791","10.1039/D0GC02193H","","","0.71073","MoKα","","0.0594","0.045","","","0.135","0.1507","","","","","","0.961","","","","has coordinates","258876","2020-11-06","12:32:51",""
"7241227","8.7517","0.0001","11.7055","0.0001","19.7505","0.0002","90","","101.925","0.001","90","","1979.64","0.04","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","111","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C88 H84 N4 O16 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.0399","0.0355","","","0.0997","0.1028","","","","","","1.067","","","","has coordinates","258878","2020-11-06","12:33:20",""
"7241228","13.9122","0.001","12.1203","0.0009","14.5292","0.0011","90","","103.724","0.008","90","","2380","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N O5 S -","- C23 H25 Cl2 N O5 S -","- C92 H100 Cl8 N4 O20 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.0739","0.0436","","","0.1083","0.1263","","","","","","1.035","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241229","10.7314","0.0018","10.99","0.002","12.275","0.003","71.712","0.017","69.196","0.017","68.46","0.016","1230.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl2 N O4 S -","- C24 H25 Cl2 N O4 S -","- C48 H50 Cl4 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1394","0.0668","","","0.1672","0.2251","","","","","","1.017","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241230","9.5153","0.001","17.8775","0.0017","24.2427","0.0018","90","","90","","90","","4123.9","0.7","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C176 H168 N8 O48 S8 -","8","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.095","0.0491","","","0.1199","0.1584","","","","","","1.025","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241231","12.239","0.005","19.008","0.007","20.975","0.008","90","","100.52","0.006","90","","4798","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C192 H228 N12 O24 S12 -","12","3","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","","0.71073","MoKα","","0.231","0.1242","","","0.3124","0.3852","","","","","","1.103","","","","has coordinates,has disorder","258878","2020-11-06","12:33:21",""
"7241232","12.0121","0.0017","9.9422","0.0014","15.9636","0.0019","90","","99.105","0.013","90","","1882.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1209","0.0608","","","0.1178","0.1489","","","","","","0.926","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241233","11.9374","0.0002","18.7941","0.0002","16.6525","0.0002","90","","95.525","0.001","90","","3718.68","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C168 H152 N8 O32 S8 -","8","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.0626","0.0567","","","0.1762","0.1827","","","","","","1.099","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241234","9.0842","0.0012","11.168","0.0014","11.3556","0.0013","108.185","0.011","106.055","0.011","109.685","0.012","932","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O4 S -","- C19 H23 N O4 S -","- C38 H46 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.1322","0.0743","","","0.2022","0.2594","","","","","","1.036","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241235","9.489","0.002","10.341","0.002","12.078","0.003","75.859","0.003","82.328","0.003","69.425","0.003","1074.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","qq","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C40 H46 N2 O8 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","","0.71073","MoKα","","0.0843","0.0513","","","0.1276","0.1449","","","","","","1.032","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241236","4.9632","0.0001","9.9037","0.0003","33.603","0.0009","90","","90","","90","","1651.72","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.058","0.0466","","","0.1096","0.119","","","","","","1.061","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241237","28.8618","0.0014","7.5904","0.0004","14.3121","0.0007","90","","104.306","0.0007","90","","3038.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N5 O5 S2 -","- C11 H13 N5 O5 S2 -","- C88 H104 N40 O40 S16 -","8","1","","Manin, Alex N.; Drozd, Ksenia V.; Surov, Artem O.; Churakov, Andrei V.; Volkova, Tatyana V.; Perlovich, German L.","Identification of a previously unreported co-crystal form of acetazolamide: a combination of multiple experimental and virtual screening methods.","Physical chemistry chemical physics : PCCP","2020","22","36","20867","20879","10.1039/d0cp02700f","","","0.71073","MoKα","","0.0339","0.0288","","","0.0786","0.0824","","","","","","1.043","","","","has coordinates","258987","2020-11-06","13:19:54",""
"7241295","9.1121","0.0018","9.4374","0.0019","10.647","0.002","95.85","0.03","104.17","0.03","111.98","0.03","803.9","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C36 H32 O12 -","2","1","","Hu, Deqing; Yang, Lu; Wan, Jie-Ping","Biaryl and atropisomeric biaryl aldehyde synthesis by one-step, metal-free benzannulation of aryl enals and propiolates","Green Chemistry","2020","22","20","6773","6777","10.1039/D0GC02806A","","","0.71073","MoKα","","0.0573","0.0412","","","0.1138","0.1337","","","","","","1.132","","","","has coordinates","258877","2020-11-06","12:33:04",""
"7241296","7.5809","0.0002","19.0996","0.0002","11.1263","0.0003","90","","104.022","0.002","90","","1563","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 F3 N3 O -","- C20 H11 F3 N3 O -","- C80 H44 F12 N12 O4 -","4","1","","Hande, Aniket A.; Darrigan, Clovis; Bartos, Paulina; Baylère, Patrick; Pietrzak, Anna; Kaszyński, Piotr; Chrostowska, Anna","UV-photoelectron spectroscopy of stable radicals: the electronic structure of planar Blatter radicals as materials for organic electronics.","Physical chemistry chemical physics : PCCP","2020","22","41","23637","23644","10.1039/d0cp03896b","","","1.54184","CuKα","","0.0367","0.0352","","","0.102","0.1036","","","","","","1.066","","","","has coordinates","258984","2020-11-06","13:18:42",""
"7241315","11.6196","0.0004","12.0604","0.0005","12.2162","0.0004","63.651","0.002","75.955","0.002","61.239","0.002","1343.91","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 N8 O6 V2 -","- C24 H20 Cu2 N8 O6 V2 -","- C48 H40 Cu4 N16 O12 V4 -","2","1","","Tian, Hong-Rui; Zhang, Zhong; Liu, Shu-Mei; Dang, Tian-Yi; Li, Zhuo; Lu, Ying; Liu, Shu-Xia","A highly stable polyoxovanadate-based Cu(i)‒MOF for the carboxylative cyclization of CO2 with propargylic alcohols at room temperature","Green Chemistry","2020","22","21","7513","7520","10.1039/D0GC02812F","","","0.71073","MoKα","","0.0458","0.0292","","","0.0606","0.0681","","","","","","1.072","","","","has coordinates","258881","2020-11-06","12:33:57",""
"7241334","10.3539","0.0005","10.9951","0.0006","11.059","0.0007","90","","90","","90","","1258.98","0.12","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H11 B F4 N2 O -","- C13 H11 B F4 N2 O -","- C52 H44 B4 F16 N8 O4 -","4","1","","Gao, Wenjing; Wan, Yameng; Zhang, Zhiguo; Wu, Hao; Liu, Tongxin; Zhang, Guisheng","The Hofmann reaction involving annulation of o-(pyridin-2-yl)aryl amides selectively and rapidly leads to potential photocatalytically active 6H-pyrido[1,2-c]quinazolin-6-one derivatives","Green Chemistry","2020","22","22","7955","7961","10.1039/D0GC02777D","","x-ray","0.71073","MoKα","","0.0505","0.0443","","","0.1253","0.1345","","","","","","0.87","","","","has coordinates","259605","2020-12-06","14:25:50",""
"7241345","8.1303","0.0009","8.5936","0.0011","9.2306","0.0012","88.833","0.011","68.333","0.011","89.254","0.01","599.23","0.14","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","lithiumdimethylamide","","- C20 H44 Li2 N2 O4 -","- C20 H44 Li2 N2 O4 -","- C20 H44 Li2 N2 O4 -","1","0.5","","Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng","Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides","Green Chemistry","2020","22","20","7023","7030","10.1039/D0GC02347G","","x-ray","0.71073","MoKα","","0.0926","0.0589","","","0.1658","0.1789","","","","","","0.92","","","","has coordinates,has disorder","258875","2020-11-06","12:32:29",""
"7241346","13.1208","0.0003","7.6644","0.0001","15.2725","0.0004","90","","111.229","0.003","90","","1431.63","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng","Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides","Green Chemistry","2020","22","20","7023","7030","10.1039/D0GC02347G","","x-ray","1.54184","CuKα","","0.0406","0.0376","","","0.0948","0.0972","","","","","","1.02","","","","has coordinates","258875","2020-11-06","12:32:36",""
"7241361","10.1692","0.0003","22.6293","0.0006","20.9402","0.0006","90","","91.6312","0.0013","90","","4816.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H20 B F24 S8 -","- C42 H20 B F24 S8 -","- C168 H80 B4 F96 S32 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.047","0.0409","","","0.1103","0.1146","","","","","","1.077","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241362","8.1423","0.0006","13.7726","0.001","10.2776","0.0007","90","","92.209","0.003","90","","1151.68","0.14","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H10 B11 Br6 S4 -","- C7 H10 B11 Br6 S4 -","- C14 H20 B22 Br12 S8 -","2","0.5","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0689","0.0371","","","0.0735","0.0821","","","","","","1.007","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241363","13.8745","0.0009","14.2009","0.0008","26.1484","0.0015","93.003","0.002","99.251","0.002","106.843","0.002","4840.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H50 B2 Cl2 F48 Se8 -","- C85 H50 B2 Cl2 F48 Se8 -","- C170 H100 B4 Cl4 F96 Se16 -","2","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.1024","0.062","","","0.1623","0.1867","","","","","","1.08","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241364","10.4486","0.0003","14.0122","0.0004","15.7753","0.0004","89.036","0.001","83.401","0.001","81.206","0.001","2267.35","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 B F24 Se4 -","- C42 H24 B F24 Se4 -","- C84 H48 B2 F48 Se8 -","2","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0546","0.0322","","","0.0737","0.0827","","","","","","1.022","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241365","14.9617","0.0007","15.7799","0.0007","17.0816","0.0008","111.658","0.0014","101.268","0.0014","94.4328","0.0015","3626.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H44 B11 S8 -","- C23 H44 B11 S8 -","- C92 H176 B44 S32 -","4","2","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.0544","0.0506","","","0.1445","0.1476","","","","","","1.061","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241366","11.0183","0.0009","11.7862","0.0008","26.111","0.002","90","","92.046","0.003","90","","3388.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B11 Br6 Cl2 S8 -","- C12 H16 B11 Br6 Cl2 S8 -","- C48 H64 B44 Br24 Cl8 S32 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0813","0.0385","","","0.0687","0.0794","","","","","","1.018","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241367","8.8819","0.0005","21.3136","0.001","15.0603","0.0008","90","","92.345","0.002","90","","2848.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B11 Br6 Se4 -","- C11 H18 B11 Br6 Se4 -","- C44 H72 B44 Br24 Se16 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0524","0.0331","","","0.078","0.0851","","","","","","1.065","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241368","9.1263","0.0013","74.893","0.011","15.658","0.002","90","","104.505","0.01","90","","10361","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H146 B33 Cl2 Se12 -","- C70 H146 B33 Cl2 Se12 -","- C280 H584 B132 Cl8 Se48 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","1.54178","CuKα","","0.0588","0.0512","","","0.1203","0.1241","","","","","","1.117","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241369","9.0536","0.0004","20.5662","0.0009","15.0317","0.0007","90","","96.2939","0.0017","90","","2782","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B11 Br6 S4 -","- C11 H18 B11 Br6 S4 -","- C44 H72 B44 Br24 S16 -","4","1","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0412","0.0241","","","0.0466","0.0508","","","","","","1.025","","","","has coordinates","259624","2020-12-06","14:52:18",""
"7241370","9.0883","0.0016","9.2043","0.0015","10.2496","0.0017","83.788","0.007","76.145","0.007","85.976","0.007","826.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H48 B11 S4 -","- C23 H48 B11 S4 -","- C23 H48 B11 S4 -","1","0.5","","Brown, John T.; Zeller, Matthias; Rosokha, Sergiy V.","Effects of structural variations on π-dimer formation: long-distance multicenter bonding of cation-radicals of tetrathiafulvalene analogues.","Physical chemistry chemical physics : PCCP","2020","22","43","25054","25065","10.1039/d0cp04891g","","","0.71073","MoKα","","0.0481","0.0377","","","0.109","0.1178","","","","","","1.028","","","","has coordinates,has disorder","259624","2020-12-06","14:52:18",""
"7241380","10.6059","0.0003","10.3846","0.0003","17.1139","0.0005","90","","96.948","0.001","90","","1871.05","0.09","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0235","0.0202","","","0.0411","0.0429","","","","","","1.097","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241381","10.6198","0.0008","10.3883","0.0008","17.0912","0.001","90","","97.256","0.007","90","","1870.4","0.2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0451","0.0312","","","0.0589","0.0632","","","","","","1.013","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241382","10.892","0.004","10.536","0.003","17.354","0.006","90","","98.397","0.012","90","","1970.2","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl14 N4 O4 W6 -","- C12 H28 Cl14 N4 O4 W6 -","- C24 H56 Cl28 N8 O8 W12 -","2","0.5","","Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.","Physical chemistry chemical physics : PCCP","2020","22","43","25344","25352","10.1039/d0cp04152a","","x-ray","0.71073","MoKα","","0.0431","0.0299","","","0.0577","0.0618","","","","","","1.021","","","","has coordinates,has disorder","259625","2020-12-06","14:52:28",""
"7241383","8.4738","0.0005","9.6099","0.0006","12.106","0.0009","88.37","0.002","69.823","0.002","84.352","0.002","920.81","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl N3 S -","- C21 H16 Cl N3 S -","- C42 H32 Cl2 N6 S2 -","2","1","","Wang, Guanjie; Wei, Chenlong; Hong, Xianfang; Fu, Zhenqian; Huang, Wei","Sodium pyruvate as a peroxide scavenger in aerobic oxidation under carbene catalysis","Green Chemistry","2020","22","20","6819","6826","10.1039/D0GC02555K","","","0.71073","MoKα","","0.0515","0.0395","","","0.0908","0.0991","","","","","","1.024","","","","has coordinates","258880","2020-11-06","12:33:36",""
"7241409","12.863","0.004","7.173","0.002","16.464","0.005","90","","90","","90","","1519.1","0.8","296.15","","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.0994","0.0472","","","0.1207","0.1486","","","","","","1.024","","","","has coordinates,has disorder","259604","2020-12-06","14:25:42",""
"7241410","20.029","0.003","20.029","0.003","9.929","0.003","90","","90","","90","","3983.1","1.5","296","2","296","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C176 H224 N16 O16 -","8","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1293","0.0577","","","0.1304","0.1664","","","","","","1.001","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241411","11.9503","0.0006","12.9375","0.0006","19.6351","0.001","90","","90","","90","","3035.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N7 S2 -","- C27 H47 N7 S2 -","- C108 H188 N28 S8 -","4","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.0518","0.0407","","","0.0952","0.1016","","","","","","1.048","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241412","12.003","0.007","19.823","0.011","16.309","0.009","90","","111.59","","90","","3608","4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N7 O2 -","- C28 H49 N7 O2 -","- C112 H196 N28 O8 -","4","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1252","0.0574","","","0.1321","0.1506","","","","","","0.787","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241413","12.8442","0.0007","17.5019","0.0009","18.6407","0.0009","63.996","0.001","70.836","0.001","69.475","0.001","3450.4","0.3","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H115 N14 O9 -","- C62 H115 N14 O9 -","- C124 H230 N28 O18 -","2","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.1006","0.0793","","","0.228","0.2485","","","","","","1.041","","","","has coordinates,has disorder","259604","2020-12-06","14:25:43",""
"7241510","6.9299","0.0011","6.9584","0.001","15.946","0.002","99.753","0.005","96.384","0.005","98.812","0.005","741.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5-Fluorouracil Caffeic Acid","5-Fluoropyrimidine-2,4(1H,3H)-dione 3-(3,4-dihydroxyphenyl)acrylic acid","","- C13 H15 F N2 O8 -","- C13 H15 F N2 O8 -","- C26 H30 F2 N4 O16 -","2","1","","Yu, Yue-Ming; Wang, Ling-Yang; Bu, Fan-Zhi; Wang, Lin-Lin; Li, Yan-Tuan; Wang, Cheng; Wu, Zhi-Yong","The supramolecular self-assembly of 5-fluorouracil and caffeic acid through cocrystallization strategy opens up a new way for the development of synergistic antitumor pharmaceutical cocrystal","CrystEngComm","2020","22","45","7992","8006","10.1039/D0CE01297A","","","0.71073","MoKα","","0.155","0.0688","","","0.1339","0.1582","","","","","","1.048","","","","has coordinates","259302","2020-11-29","02:40:59",""
"7241569","9.6037","0.0004","9.8432","0.0004","10.2613","0.0004","68.903","0.001","83.98","0.001","68.045","0.001","838.87","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0377","0.0329","","","0.0839","0.0874","","","","","","1.066","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241570","3.6795","0.0007","9.855","0.002","10.425","0.002","116.097","0.002","97.436","0.002","97.188","0.002","329.52","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0395","0.036","","","0.0957","0.0994","","","","","","1.05","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241571","9.6812","0.0002","9.8923","0.0002","10.3777","0.0003","70.346","0.001","83.328","0.001","67.442","0.001","864.26","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0743","0.0526","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241572","3.7614","0.0003","9.8932","0.0007","10.4498","0.0007","116.121","0.001","96.721","0.001","98.409","0.001","338.11","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1215","0.1264","","","","","","1.098","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241573","6.017","0.001","18.34","0.003","11.778","0.002","90","","99.387","0.003","90","","1282.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0803","0.0695","","","0.1771","0.1862","","","","","","1.059","","","","has coordinates,has disorder","259315","2020-11-29","02:57:27",""
"7241574","21.847","0.001","6.9981","0.0004","26.359","0.002","90","","102.17","0.001","90","","3939.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.073","0.0532","","","0.1627","0.1802","","","","","","1.057","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241575","5.8215","0.0008","18.363","0.002","11.592","0.002","90","","100.266","0.002","90","","1219.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0425","0.0375","","","0.1009","0.1057","","","","","","1.045","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241576","8.74","0.001","9.849","0.001","13.663","0.002","73.285","0.002","72.292","0.002","72.343","0.002","1042.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","2","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0663","0.0605","","","0.1713","0.1795","","","","","","1.052","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7241577","8.7731","0.0005","9.8652","0.0005","13.9929","0.0007","73.741","0.002","72.89","0.002","72.483","0.002","1079.17","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C24 H20 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.1641","0.0936","","","0.237","0.293","","","","","","1.018","","","","has coordinates","259315","2020-11-29","02:57:28",""
"7241578","21.654","0.003","6.948","0.001","25.748","0.004","90","","101.148","0.002","90","","3800.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0491","0.0444","","","0.1225","0.1267","","","","","","1.067","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241586","6.6967","0.0002","5.7405","0.0002","20.7844","0.0007","90","","94.953","0.003","90","","796.02","0.05","107","","107","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0394","0.0331","","","0.0866","0.0906","","","","","","1.041","","","","has coordinates","259320","2020-11-29","03:01:06",""
"7241587","7.2043","0.0003","11.578","0.0004","11.3815","0.0004","90","","105.771","0.003","90","","913.61","0.06","107.24","","107.24","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0564","0.0459","","","0.1251","0.1311","","","","","","1.116","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241588","5.3882","0.0001","8.4135","0.0002","14.8002","0.0004","77.6","0.002","80.086","0.002","88.273","0.002","645.49","0.03","100","0.13","100","0.13","","","","","","","","3","P -1","-P 1","2","CBDA10coEA","","","- C26 H32 O12 -","- C26 H32 O12 -","- C26 H32 O12 -","1","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.0954","0.0982","","","","","","1.091","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241589","8.841","0.003","10.807","0.003","9.978","0.003","90","","112.64","0.02","90","","879.9","0.5","107.02","","107.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CBDE-10","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.1418","0.0919","","","0.2103","0.2311","","","","","","1.089","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241600","10.792","0.0004","18.8461","0.0008","13.1548","0.0005","90","","97.925","0.001","90","","2649.96","0.18","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O7 Zn -","- C28 H22 N4 O7 Zn -","- C112 H88 N16 O28 Zn4 -","4","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.052","0.0342","","","0.0923","0.101","","","","","","1.021","","","","has coordinates","259325","2020-11-29","03:05:09",""
"7241601","29.2681","0.001","10.0831","0.0003","22.0305","0.0008","90","","129.908","0.001","90","","4987.1","0.3","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0459","0.0343","","","0.093","0.1014","","","","","","1.005","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241602","7.482","0.0003","8.3416","0.0004","14.5588","0.0006","78.944","0.001","87.671","0.001","76.222","0.001","866.11","0.07","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cd N2 O6 -","- C18 H15 Cd N2 O6 -","- C36 H30 Cd2 N4 O12 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0213","0.0195","","","0.0507","0.0521","","","","","","1.025","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241603","9.6024","0.0008","11.8975","0.0011","13.2665","0.0012","113.334","0.002","103.141","0.002","102.592","0.002","1272.3","0.2","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 Zn -","- C28 H23 N4 O7 Zn -","- C56 H46 N8 O14 Zn2 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0689","0.0442","","","0.0939","0.1035","","","","","","1.006","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241648","7.2328","0.0014","19.384","0.004","25.55","0.005","90","","90","","90","","3582.1","1.2","133.15","","133.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C45 H24 Cl N2 O3 Re -","- C45 H24 Cl N2 O3 Re -","- C180 H96 Cl4 N8 O12 Re4 -","4","0.5","","Qiu, Li-Qi; Chen, Kai-Hong; Yang, Zhi-Wen; He, Liang-Nian","A rhenium catalyst with bifunctional pyrene groups boosts natural light-driven CO2 reduction","Green Chemistry","2020","22","24","8614","8622","10.1039/D0GC03111A","","","0.71073","MoKα","","0.0573","0.0529","","","0.1233","0.1251","","","","","","1.244","","","","has coordinates","260797","2021-01-07","06:41:30",""
"7241650","9.5873","0.0006","12.2766","0.0008","12.9471","0.0008","90","","90","","90","","1523.87","0.17","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F6 O P Ru -","- C14 H17 F6 O P Ru -","- C56 H68 F24 O4 P4 Ru4 -","4","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0145","0.0144","","","0.0364","0.0364","","","","","","1.147","","","","has coordinates","259567","2020-12-05","21:11:55",""
"7241651","9.59","0.002","22.809","0.005","9.636","0.002","90","","94.756","0.003","90","","2100.5","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 B11 O Ru -","- C15 H29 B11 O Ru -","- C60 H116 B44 O4 Ru4 -","4","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0852","0.0527","","","0.0963","0.1059","","","","","","1.102","","","","has coordinates,has disorder","259567","2020-12-05","21:11:56",""
"7241652","8.7042","0.001","10.1448","0.0012","12.0722","0.0014","99.046","0.001","95.893","0.001","96.477","0.001","1038.1","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H29 B11 O Ru -","- C15 H29 B11 O Ru -","- C30 H58 B22 O2 Ru2 -","2","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0203","0.0201","","","0.0532","0.0533","","","","","","1.089","","","","has coordinates","259567","2020-12-05","21:11:56",""
"7241699","16.2484","0.0001","11.3597","0.0001","8.2456","0.0001","90","","100.148","0.001","90","","1498.14","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Na O6 S -","- C13 H11 Na O6 S -","- C52 H44 Na4 O24 S4 -","4","1","","Zhang, Hui; Wang, Ming; Jiang, Xuefeng","Sustainable access to sulfonic acids from halides and thiourea dioxide with air","Green Chemistry","2020","22","23","8238","8242","10.1039/D0GC03135F","","x-ray","1.54184","CuKα","","0.0733","0.0725","","","0.1605","0.1609","","","","","","1.166","","","","has coordinates,has disorder","260798","2021-01-07","06:41:50",""
"7241700","16.8614","0.0016","19.0598","0.0014","8.8881","0.0006","90","","103.357","0.008","90","","2779.1","0.4","100","0.3","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Cl2 N2 O5 -","- C32 H30 Cl2 N2 O5 -","- C128 H120 Cl8 N8 O20 -","4","0.5","","Zhang, Ming-Zhong; Liu, Long; Gou, Quan; Wang, Qi; Li, Yi; Li, Wan-Ting; Luo, Fei; Yuan, Min; Chen, Tieqiao; He, Wei-Min","Synthesis of hydroxyl-containing oxindoles and 3,4-dihydroquinolin-2-ones through oxone-mediated cascade arylhydroxylation of activated alkenes","Green Chemistry","2020","22","23","8369","8374","10.1039/D0GC02205E","","x-ray","0.71073","MoKα","","0.116","0.0873","","","0.2041","0.2387","","","","","","1.015","","","","has coordinates","260799","2021-01-07","06:41:56",""
"7241704","6.27149","0.0001","13.8374","0.0003","14.1502","0.0002","90","","90","","90","","1227.97","0.04","170","2","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-2-Isopropyl-1-tosylaziridine","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","","Scholten, Kevin; Engelage, Elric; Merten, Christian","Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions.","Physical chemistry chemical physics : PCCP","2020","22","48","27979","27986","10.1039/d0cp05420h","","x-ray","1.54184","CuKα","","0.0325","0.0315","","","0.0833","0.084","","","","","","1.073","","","","has coordinates","260827","2021-01-07","07:12:42",""
"7241705","8.7562","0.0006","13.1732","0.001","12.6457","0.0007","90","","95.04","0.006","90","","1453.01","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O2 -","- C26 H26 Cl2 Fe N10 O2 -","- C52 H52 Cl4 Fe2 N20 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.1193","0.0657","","","0.1443","0.1551","","","","","","0.845","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241706","14.9231","0.0014","8.4115","0.0007","18.7857","0.0016","90","","108.571","0.009","90","","2235.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Fe I2 N8 O2 -","- C16 H16 Fe I2 N8 O2 -","- C64 H64 Fe4 I8 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0533","0.0442","","","0.1115","0.1189","","","","","","1.036","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241707","8.8231","0.0004","11.0729","0.0003","13.2703","0.0007","90","","106.027","0.005","90","","1246.08","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Fe I2 N8 O2 -","- C18 H20 Fe I2 N8 O2 -","- C36 H40 Fe2 I4 N16 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.047","0.0301","","","0.0637","0.0661","","","","","","0.872","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241708","8.3887","0.0004","9.639","0.0005","13.2734","0.0007","90","","99.11","0.005","90","","1059.73","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Fe I2 N8 -","- C16 H12 Fe I2 N8 -","- C32 H24 Fe2 I4 N16 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0513","0.0392","","","0.0909","0.1001","","","","","","1.063","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241709","8.1771","0.0009","11.2544","0.0012","12.1692","0.0015","91.426","0.009","108.865","0.01","90.318","0.009","1059.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","1","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0674","0.0433","","","0.0742","0.0821","","","","","","1.02","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241710","14.7058","0.0015","8.3867","0.0006","18.3571","0.0018","90","","108.439","0.011","90","","2147.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br2 Fe N8 O2 -","- C16 H16 Br2 Fe N8 O2 -","- C64 H64 Br8 Fe4 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0405","0.0309","","","0.0723","0.0767","","","","","","1.075","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241711","19.931","0.002","12.6943","0.0014","30.341","0.003","90","","93.819","0.008","90","","7659.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Br8 Fe3 N26 -","- C58 H43 Br8 Fe3 N26 -","- C232 H172 Br32 Fe12 N104 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.2114","0.1075","","","0.2808","0.3679","","","","","","1.018","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241736","7.8699","0.0002","36.0925","0.0007","11.3684","0.0003","90","","92.524","0.002","90","","3226","0.13","123","2","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Aminoazobenzene; 3-Amino-4-methylpyridine","","- C36 H38 N10 -","- C36 H38 N10 -","- C144 H152 N40 -","4","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0548","0.0467","","","0.1196","0.1258","","","","","","1.021","","","","has coordinates,has disorder","259731","2020-12-10","03:35:48",""
"7241737","7.5794","0.0004","5.6975","0.0003","21.4258","0.0009","90","","97.914","0.004","90","","916.43","0.08","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;4,4'-Bipyridine","","- C22 H19 N5 -","- C22 H19 N5 -","- C44 H38 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0537","0.0514","","","0.1487","0.1516","","","","","","1.054","","","","has coordinates","259731","2020-12-10","03:35:49",""
"7241738","7.73","0.0006","5.6677","0.0004","23.0411","0.0014","90","","91.233","0.006","90","","1009.23","0.12","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;1,2-bis(4-pyridyl)ethane","","- C24 H23 N5 -","- C24 H23 N5 -","- C48 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.1033","0.0715","","","0.1964","0.2223","","","","","","1.041","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241739","7.9177","0.0016","5.9154","0.0012","19.843","0.004","90","","90.84","0.03","90","","929.3","0.3","113","2","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene; 4-Pyrrolidinopyridine","","- C21 H23 N5 -","- C21 H23 N5 -","- C42 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.0647","0.0471","","","0.1059","0.116","","","","","","0.974","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241740","25.715","0.005","5.9027","0.0012","31.344","0.006","90","","107.76","0.03","90","","4530.9","1.7","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-aminoazobenzene; 1-(1-naphthyl)-2-(4'-pyridyl)ethylene","","- C29 H24 N4 -","- C29 H23 N4 -","- C232 H184 N32 -","8","2","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.122","0.0776","","","0.1948","0.2262","","","","","","1.055","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241742","9.7369","0.0003","9.7369","0.0003","76.074","0.002","90","","90","","90","","7212.4","0.4","220","1","220","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","0.25","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.0743","0.0619","","","0.1144","0.1199","","","","","","1.178","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241743","9.6448","0.0009","76.132","0.0012","9.7076","0.001","90","","90.2","","90","","7128","1","185","1","185.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd0.999 Cl I3.996 S32 -","- C184 H148 Cd3.996 Cl4 I15.984 S128 -","4","0.5","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1493","0.1263","","","0.3201","0.3429","","","","","","1.119","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241744","9.5531","0.0008","9.7052","0.0008","76.0688","0.001","89.884","0.004","89.917","0.004","89.798","0.007","7052.6","0.8","100","1","100","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1281","0.1021","","","0.2609","0.2897","","","","","","1.026","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241745","13.1254","0.0006","13.6595","0.0006","8.5225","0.0004","90","","90","","90","","1527.97","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cd N2 O2 S4 -","- C8 H12 Cd N2 O2 S4 -","- C32 H48 Cd4 N8 O8 S16 -","4","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0331","0.0326","","","0.0757","0.0759","","","","","","1.244","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241746","9.7864","0.0005","10.9611","0.0006","16.022","0.0008","90","","102.095","0.002","90","","1680.52","0.15","152","2","152","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cd N6 O S2 -","- C10 H22 Cd N6 O S2 -","- C40 H88 Cd4 N24 O4 S8 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0209","0.0196","","","0.0452","0.0458","","","","","","1.035","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241747","14.6814","0.0003","17.4409","0.0004","17.6486","0.0004","90","","90","","90","","4519.04","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Cd3 N18 S6 -","- C28 H52 Cd3 N18 S6 -","- C112 H208 Cd12 N72 S24 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0347","0.0313","","","0.0711","0.0729","","","","","","1.064","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241752","26.891","0.0015","16.3784","0.0009","20.2907","0.0012","90","","130.136","0.003","90","","6832.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 Mn3 N6 O31 -","- C54 H58 Mn3 N4 O24 -","- C216 H232 Mn12 N16 O96 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.0973","0.0494","","","0.1007","0.1163","","","","","","1.016","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241753","13.706","0.003","10.943","0.002","23.695","0.005","90","","106.11","0.03","90","","3414.3","1.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C78 H57 Mn3 N6 O22 -","- C78 H48.988 Mn3 N6 O18 -","- C156 H97.976 Mn6 N12 O36 -","2","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71","synchrotron","","0.0482","0.0443","","","0.108","0.1108","","","","","","1.032","","","","has coordinates,has disorder","259738","2020-12-10","03:41:12",""
"7241754","10.2097","0.0009","10.7615","0.001","13.8645","0.0013","81.129","0.002","79.737","0.002","64.205","0.002","1344.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","1","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1997","0.0762","","","0.0971","0.1243","","","","","","0.983","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241755","11.4113","0.0014","13.9536","0.0016","14.723","0.0018","105.212","0.003","92.722","0.004","107.323","0.003","2139.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 Mn N6 O18 -","- C39 H31 Mn N6 O10 -","- C78 H62 Mn2 N12 O20 -","2","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1555","0.0658","","","0.1336","0.1613","","","","","","0.976","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241756","12.916","0.002","8.9128","0.0013","27.161","0.004","90","","98.425","0.004","90","","3093","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Mn2 N3 O12 -","- C31 H25 Mn2 N3 O12 -","- C124 H100 Mn8 N12 O48 -","4","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1151","0.0611","","","0.1508","0.1778","","","","","","1.028","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241757","28.4052","0.0019","16.0847","0.0012","19.9257","0.0012","90","","133.158","0.003","90","","6641","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H62 Mn3 N6 O23 -","- C66 H42 Mn3 N4 O18 -","- C264 H168 Mn12 N16 O72 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1478","0.0569","","","0.1093","0.1349","","","","","","0.967","","","","has coordinates","259738","2020-12-10","03:41:13",""
"7241764","8.759","0.0004","9.44","0.0004","23.545","0.0008","90","","90","","90","","1946.82","0.14","296","2","296.15","","","","","","","","","6","P b c m","-P 2c 2b","57","","ethylenediammonium lead iodide chloride","","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","1","0.125","","Fazayeli, Monireh; Khatamian, Maasoumeh; Cruciani, Giuseppe","Anomalous inclusion of chloride ions in ethylenediammonium lead iodide turns 1D non-perovskite into a 2D perovskite structure","CrystEngComm","2020","22","46","8063","8071","10.1039/D0CE00184H","","","0.71075","MoKα","","0.1083","0.0676","","","0.1527","0.1745","","","","","","1.063","","","","has coordinates","259740","2020-12-10","03:43:41",""
"7241928","3.7996","0.0007","8.2477","0.0013","14.205","0.004","90","","90","","90","","445.16","0.17","275.2","","275.2","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C5 H12 -","- C5 H12 -","- C20 H48 -","4","0.5","","Liu, X.; Pulham, C. R.","Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane","CrystEngComm","2020","22","47","8251","8255","10.1039/D0CE01335H","","","0.71073","MoKα","","0.0575","0.0437","","","0.1178","0.127","","","","","","1.19","","","","has coordinates","260032","2020-12-20","02:21:22",""
"7241997","10.4292","0.0002","15.3858","0.0003","26.9006","0.0004","90","","90","","90","","4316.51","0.13","133.15","","133.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H38 Mg2 N2 O21 Pt S4 -","- C13 H38 Mg2 N2 O21 Pt S4 -","- C52 H152 Mg8 N8 O84 Pt4 S16 -","4","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0313","0.0272","","","0.0656","0.0673","","","","","","1.15","","","","has coordinates,has disorder","260336","2021-01-01","04:05:15",""
"7241998","6.2643","0.0003","13.6027","0.0007","14.2439","0.0006","117.142","0.003","92.957","0.004","99.353","0.004","1054.74","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0333","0.0274","","","0.0666","0.0701","","","","","","1.044","","","","has coordinates","260336","2021-01-01","04:05:15",""
"7241999","6.7533","0.0003","7.4688","0.0004","11.335","0.0005","103.51","0.004","97.371","0.004","103.462","0.004","530.45","0.05","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0172","0.0167","","","0.0442","0.0445","","","","","","1.104","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242000","25.8063","0.0006","10.7668","0.0002","23.2567","0.0005","90","","90.72","0.002","90","","6461.4","0.2","133.15","","133.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H26 Mn2 N2 O17 Pt S4 -","- C10 H26 Mn2 N2 O17 Pt S4 -","- C80 H208 Mn16 N16 O136 Pt8 S32 -","8","1","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.031","0.0291","","","0.0716","0.0726","","","","","","1.03","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242001","6.8663","0.0006","7.9281","0.0007","11.5395","0.001","94.147","0.007","101.197","0.007","114.893","0.007","550.53","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0849","0.0597","","","0.1477","0.1799","","","","","","1.188","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242002","6.319","0.0002","13.7134","0.0004","16.9778","0.0006","90","","97.989","0.003","90","","1456.93","0.08","133.15","","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H36 Fe2 N2 O22 Pt S4 -","- C10 H36 Fe2 N2 O22 Pt S4 -","- C20 H72 Fe4 N4 O44 Pt2 S8 -","2","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0382","0.0294","","","0.0587","0.0616","","","","","","1.184","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242003","6.2781","0.0004","13.6869","0.0011","14.2519","0.001","117.626","0.005","92.748","0.006","100.521","0.006","1054.34","0.15","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0508","0.0405","","","0.0983","0.107","","","","","","1.059","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242004","10.5366","0.0004","10.7815","0.0004","12.2029","0.0005","97.258","0.001","98.196","0.001","117.932","0.001","1182.32","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Sm -","- C25 H18 N4 O8 Sm -","- C50 H36 N8 O16 Sm2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0455","0.0332","","","0.0714","0.0752","","","","","","1.059","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242005","10.4665","0.0004","10.692","0.0004","12.2202","0.0005","96.974","0.001","98.572","0.001","117.604","0.001","1169.68","0.08","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","1","0.5","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0405","0.0358","","","0.085","0.0876","","","","","","1.038","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242006","10.4833","0.0004","10.712","0.0004","12.2096","0.0005","97.082","0.001","98.465","0.001","117.663","0.001","1172.06","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Tb -","- C25 H18 N4 O8 Tb -","- C50 H36 N8 O16 Tb2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0292","0.0255","","","0.0643","0.066","","","","","","1.054","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242007","10.5279","0.0008","10.7664","0.0008","12.2112","0.0016","97.308","0.002","98.164","0.001","117.842","0.001","1181.5","0.2","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Eu N4 O8 -","- C25 H18 Eu N4 O8 -","- C50 H36 Eu2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0332","0.0301","","","0.0817","0.0902","","","","","","1.086","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242008","10.502","0.0004","10.7425","0.0004","12.2129","0.0005","97.093","0.001","98.38","0.001","117.775","0.001","1176.88","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Gd N4 O8 -","- C25 H18 Gd N4 O8 -","- C50 H36 Gd2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0315","0.0293","","","0.0785","0.0801","","","","","","1.112","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242015","13.864","0.011","12.086","0.011","14.994","0.012","90","","111.62","0.02","90","","2336","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","0.5","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.054","0.0494","","","0.132","0.1371","","","","","","1.084","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242016","7.075","0.003","19.857","0.002","12.811","0.002","90","","94.991","0.002","90","","1793","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0435","0.0355","","","0.0927","0.0995","","","","","","1.04","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242017","6.855","0.004","7.642","0.003","24.281","0.004","90.019","0.003","92.555","0.002","107.022","0.004","1214.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C52 H56 N8 O12 -","2","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0388","0.0339","","","0.091","0.0947","","","","","","1.047","","","","has coordinates","260359","2021-01-02","02:31:04",""
"9000013","6.96","","6.96","","17.35","","90","","90","","120","","727.861","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","Alunite","- Al3 H6 K O14 S2 -","- Al3 H6 K O14 S2 -","- Al9 H18 K3 O42 S6 -","3","0.0833333","","Hendricks, S. B.","The crystal structures of alunite and the jarosites","American Mineralogist","1937","22","","773","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000014","12.14","","12.14","","12.14","","90","","90","","90","","1789.19","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Plazolite","- Al2 Ca3 O12 Si2.001 -","- Al2 Ca3 O12 Si2.001 -","- Al16 Ca24 O96 Si16.008 -","8","0.0833333","","Pabst, A.","The crystal structure of plazolite","American Mineralogist","1937","22","","861","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9004171","5.45","","8.704","","13.15","","90","","98.72","","90","","616.584","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","Stenonite","- C Al F5 O3 Sr2 -","- C Al F5 O3 Sr2 -","- C4 Al4 F20 O12 Sr8 -","4","1","","Hawthorne, F. C.","The crystal structure of stenonite and the classification of the aluminofluoride minerals","The Canadian Mineralogist","1984","22","","245","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004172","12.685","0.006","12.685","0.006","5.179","0.001","90","","90","","120","","721.701","","","","","","","","","","","","","7","P 63","P 6c","173","","","Vishnevite","- Al3 Ca0.06 K0.51 Na3.25 O14.67 S0.24 Si3 -","- Al3 Ca0.06 K0.51 Na3.25 O14.67 S0.24 Si3 -","- Al6 Ca0.12 K1.02 Na6.5 O29.34 S0.48 Si6 -","2","0.333333","","Hassan, I.; Grundy, H. D.","The character of the cancrinite-vishnevite solid-solution series","The Canadian Mineralogist","1984","22","","333","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004173","16.81","","7.88","","10.019","","90","","98.26","","90","","1313.38","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Mandarinoite","- Fe2 H11 O15 Se3 -","- Fe2 H11 O15 Se3 -","- Fe8 H44 O60 Se12 -","4","1","","Hawthorne, F. C.","The crystal structure of mandarinoite, Fe2Se3O9.6H2O","The Canadian Mineralogist","1984","22","","475","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004174","5.249","","10.711","","5.133","","90","","90","","90","","288.588","","","","","","","","","","","","","3","P m n b","-P 2bc 2a","62","","","Tungstite","- H2 O4 W -","- H2 O4 W -","- H8 O16 W4 -","4","0.5","","Szymanski, J. T.; Roberts, A. C.","The crystal structure of tungstite, WO3.H2O","The Canadian Mineralogist","1984","22","","681","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9006316","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","Maghemite","- Fe2 O3 -","- Fe1.77777 O2.66667 -","- Fe21.3333 O32 -","12","0.0625","","Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.","The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: a) idealized","Physics and Chemistry of Minerals","1995","22","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006317","8.33","","8.33","","8.33","","90","","90","","90","","578.01","","","","","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","Maghemite","- Fe2 O3 -","- Fe1.77778 O2.66667 -","- Fe21.3333 O32 -","12","0.5","","Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.","The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: b) idealized","Physics and Chemistry of Minerals","1995","22","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006318","8.33","","8.33","","24.99","","90","","90","","90","","1734.03","","","","","","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","Maghemite","- Fe3 O4 -","- Fe3 O4 -","- Fe72 O96 -","24","3","","Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E.","The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: c) idealized, either one of Fe-oct 1-6, or both Fe-oct 6-7 have zero occupancy","Physics and Chemistry of Minerals","1995","22","","21","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006319","11.533","","11.533","","11.533","","90","","90","","90","","1534.01","","","","","","","","","","","","metasedimentary rocks of the Ivrea-Verbano Zone, Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al1.99 Ca0.24 Cr0.01 Fe1.59 Mg1.119 Mn0.039 O12 Si3 Ti0.01 -","- Al1.99 Ca0.24 Cr0.01 Fe1.59 Mg1.119 Mn0.039 O12 Si3 Ti0.01 -","- Al15.92 Ca1.92 Cr0.08 Fe12.72 Mg8.952 Mn0.312 O96 Si24 Ti0.08 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP14","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006320","11.565","","11.565","","11.565","","90","","90","","90","","1546.81","","","","","","","","","","","","metasedimentary rocks of the Ivrea-Verbano Zone, Italy","7","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al2 Ca0.51 Fe1.431 Mg1.02 Mn0.039 O12 Si3 -","- Al2 Ca0.51 Fe1.431 Mg1.02 Mn0.039 O12 Si3 -","- Al16 Ca4.08 Fe11.448 Mg8.16 Mn0.312 O96 Si24 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP18","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006321","11.571","","11.571","","11.571","","90","","90","","90","","1549.22","","","","","","","","","","","","metasedimentary rocks of the Ivrea-Verbano Zone, Italy","8","I a -3 d","-I 4bd 2c 3","230","","","Almandine","- Al1.99 Ca0.51 Fe1.56 Mg0.921 Mn0.039 O12 Si3 Ti0.01 -","- Al1.99 Ca0.51 Fe1.56 Mg0.921 Mn0.039 O12 Si3 Ti0.01 -","- Al15.92 Ca4.08 Fe12.48 Mg7.368 Mn0.312 O96 Si24 Ti0.08 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample MP12","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006322","11.663","","11.663","","11.663","","90","","90","","90","","1586.47","","","","","","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al1.99 Ca1.389 Fe0.469 Mg1.14 Mn0.009 O12 Si3 -","- Al1.99 Ca1.389 Fe0.469 Mg1.14 Mn0.009 O12 Si3 -","- Al15.92 Ca11.112 Fe3.752 Mg9.12 Mn0.072 O96 Si24 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Sample: SBB","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006323","11.787","","11.787","","11.787","","90","","90","","90","","1637.61","","","","","","","","","","","","Voltri, Liguria, Italy","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.87 Ca2.139 Fe0.849 Mg0.09 Mn0.039 O12 Si3 Ti0.01 -","- Al1.87 Ca2.139 Fe0.849 Mg0.09 Mn0.039 O12 Si3 Ti0.01 -","- Al14.96 Ca17.112 Fe6.792 Mg0.72 Mn0.312 O96 Si24 Ti0.08 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample VOL","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006324","11.967","","11.967","","11.967","","90","","90","","90","","1713.78","","","","","","","","","","","","Bric Canizzi, Liguria, Italy","7","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al Ca2.889 Fe0.949 Mn0.039 O12 Si3 Ti0.12 -","- Al Ca2.889 Fe0.949 Mn0.039 O12 Si3 Ti0.12 -","- Al8 Ca23.112 Fe7.592 Mn0.312 O96 Si24 Ti0.96 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample BRIC","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006325","11.871","","11.871","","11.871","","90","","90","","90","","1672.87","","","","","","","","","","","","Val di Fassa, Italy","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.81 Ca2.901 Fe0.22 Mg0.06 Mn0.009 O12 Si3 Ti0.01 -","- Al1.81 Ca2.901 Fe0.22 Mg0.06 Mn0.009 O12 Si3 Ti0.01 -","- Al14.48 Ca23.208 Fe1.76 Mg0.48 Mn0.072 O96 Si24 Ti0.08 -","8","0.0833333","","Quartieri, S.; Chaboy, J.; Merli, M.; Oberti, R.; Ungaretti, L.","Local structural environment of calcium in garnets: A combined structure-refinement and XANES investigation Note: sample GRO","Physics and Chemistry of Minerals","1995","22","","159","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006326","5.194","","9.013","","20.064","","90","","95.8","","90","","934.458","","","","","","","","50000","","","","","10","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 -","- Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 -","- Al11.2 Ba0.04 Fe0.32 H8 K3.6 Mg0.16 Na0.28 O48 Si12.16 Ti0.16 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","High-pressure structural study of muscovite Sample: K-Ms, P = 0.05 GPa","Physics and Chemistry of Minerals","1995","22","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006327","5.151","","8.931","","19.399","","90","","95.8","","90","","887.855","","","","","","","","2800000","","","","","10","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 -","- Al2.8 Ba0.01 Fe0.08 H2 K0.9 Mg0.04 Na0.07 O12 Si3.04 Ti0.04 -","- Al11.2 Ba0.04 Fe0.32 H8 K3.6 Mg0.16 Na0.28 O48 Si12.16 Ti0.16 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","High-pressure structural study of muscovite Sample: K-Ms, P = 2.80 GPa","Physics and Chemistry of Minerals","1995","22","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006328","5.165","","8.964","","19.798","","90","","95.4","","90","","912.561","","","","","","","","100","","","","","9","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 -","- Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 -","- Al11.2 Fe0.4 H8 K2.4 Mg0.16 Na1.48 O48 Si12.16 Ti0.08 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","High-pressure structural study of muscovite Sample: Na-Ms, P = 0.0001 GPa, in air","Physics and Chemistry of Minerals","1995","22","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006329","5.13","","8.886","","19.241","","90","","95.5","","90","","873.066","","","","","","","","2700000","","","","","9","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 -","- Al2.8 Fe0.1 H2 K0.6 Mg0.04 Na0.37 O12 Si3.04 Ti0.02 -","- Al11.2 Fe0.4 H8 K2.4 Mg0.16 Na1.48 O48 Si12.16 Ti0.08 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","High-pressure structural study of muscovite Sample: Na-Ms, P = 2.7 GPa","Physics and Chemistry of Minerals","1995","22","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006330","3.14979","","3.14979","","4.7702","","90","","90","","120","","40.986","","","","","","","","100","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 0.0001 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006331","3.0698","","3.0698","","4.429","","90","","90","","120","","36.146","","","","","","","","7800000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 7.8 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006332","3.0467","","3.0467","","4.3554","","90","","90","","120","","35.012","","","","","","","","10900000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H2 Mg O2 -","- H2 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 10.9 GPa","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006333","3.0464","","3.0464","","4.3553","","90","","90","","120","","35.004","","","","","","","","10900000","","","","","3","P -3 m 1","-P 3 2""","164","","","Brucite","- H2 Mg O2 -","- H1.99998 Mg O2 -","- H1.99998 Mg O2 -","1","0.0833333","","Catti, M.; Ferraris, G.; Hull, S.; Pavese, A.","Static compression and H disorder in brucite, Mg(OH)2, to 11 GPa: a powder neutron diffraction study Sample: at P = 10.9 GPa, split H site","Physics and Chemistry of Minerals","1995","22","","200","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006334","7.46718","","7.46718","","7.46718","","90","","90","","90","","416.361","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Fe3 O12 Ti4 -","- Ca Fe3 O12 Ti4 -","- Ca2 Fe6 O24 Ti8 -","2","0.0416667","","Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B.","High-pressure perovskites on the join CaTiO3-FeTiO3","Physics and Chemistry of Minerals","1995","22","","251","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006335","5.12334","","5.12334","","13.7602","","90","","90","","120","","312.796","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe O3 Ti -","- Fe O3 Ti -","- Fe6 O18 Ti6 -","6","0.333333","","Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B.","High-pressure perovskites on the join CaTiO3-FeTiO3","Physics and Chemistry of Minerals","1995","22","","251","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006336","5.073","","5.073","","14.013","","90","","90","","120","","312.314","","","","","","","","","","synthesized at 1000 C","synthesized at 1000 C and 17 GPa","","3","P 63 c m","P 6c -2","185","","","Phase-F","- Mg0.78 O3 Si1.06 -","- Mg0.78 O3 Si1.06 -","- Mg4.68 O18 Si6.36 -","6","0.5","","Kudoh, Y.; Nagase, T.; Sasaki, S.; Tanaka, M.; Kanzaki, M.","Phase F, a new hydrous magnesium silicate synthesized at 1000 C and 17 GPa: Crystal structure and estimated bulk modulus Note: The authors withdrew this structure, it is not Phase-F See PCM 24 (1997) 610","Physics and Chemistry of Minerals","1995","22","","295","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006337","18.251","","8.814","","5.181","","90","","90","","90","","833.438","","","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 296 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006338","18.341","","8.889","","5.219","","90","","90","","90","","850.87","","","","900","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 900 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006339","18.413","","8.929","","5.246","","90","","90","","90","","862.493","","","","1200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1200 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006340","18.456","","8.96","","5.27","","90","","90","","90","","871.478","","","","1360","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006341","9.306","","8.886","","5.36","","90","","90","","90","","443.235","","","","1360","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006342","9.315","","8.899","","5.365","","90","","90","","90","","444.727","","","","1400","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","Protoenstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1400 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006343","12.784","","12.784","","5.346","","90","","90","","120","","756.647","","","","293","","","","","","","","","8","P 63","P 6c","173","","","Microsommite","- Al3 Ca Cl1.12 K0.99 Na2.01 O13.76 S0.44 Si3 -","- Al3 Ca Cl1.11999 K0.99 Na2.01 O13.76 S0.44 Si3 -","- Al6 Ca2 Cl2.23998 K1.98 Na4.02 O27.52 S0.88 Si6 -","2","0.333333","","Bonaccorsi, E.; Comodi, P.; Merlino, S.","Thermal behaviour of davyne-group minerals Sample: T = 293 K","Physics and Chemistry of Minerals","1995","22","","367","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006344","12.871","","12.871","","5.371","","90","","90","","120","","770.567","","","","943","","","","","","","","","8","P 63/m","-P 6c","176","","","Microsommite","- Al3 Ca Cl1.12 K0.99 Na2.01 O13.5 S0.44 Si3 -","- Al3 Ca Cl1.11999 K0.99 Na2.01 O13.5 S0.44 Si3 -","- Al6 Ca2 Cl2.23998 K1.98 Na4.02 O27 S0.88 Si6 -","2","0.166667","","Bonaccorsi, E.; Comodi, P.; Merlino, S.","Thermal behaviour of davyne-group minerals Sample: T = 943 K","Physics and Chemistry of Minerals","1995","22","","367","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9006345","8.922","","4.849","","11.567","","90","","102.64","","90","","488.292","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Na2 O7 Si3 -","- Na2 O7 Si3 -","- Na8 O28 Si12 -","4","0.5","","Fleet, M. E.; Henderson, G. S.","Soidium trisilicate: A new high-pressure silicate structure (Na2Si[Si2O7])","Physics and Chemistry of Minerals","1995","22","","383","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006346","8.58804","","13.00492","","7.19238","","90","","116.026","","90","","721.836","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C.","Characterization of lattice strain induced by neutron irradiation Sample: Unirradiated","Physics and Chemistry of Minerals","1995","22","","399","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006347","8.59122","","13.00089","","7.19192","","90","","116.009","","90","","721.938","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C.","Characterization of lattice strain induced by neutron irradiation Sample: neutron dose = 6.3*10^18 n/cm2","Physics and Chemistry of Minerals","1995","22","","399","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006348","8.59046","","12.99323","","7.18763","","90","","115.99","","90","","721.135","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Tseng, H.-Y.; Heaney, P. J.; Onstott, T. C.","Characterization of lattice strain induced by neutron irradiation Sample: neutron dose = 1.26*10^19 n/cm2","Physics and Chemistry of Minerals","1995","22","","399","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9007490","9.502","","11.974","","3.24","","90","","98.75","","90","","364.347","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Malachite","- C H2 Cu2 O5 -","- C H2 Cu2 O5 -","- C4 H8 Cu8 O20 -","4","1","","Susse, P.","Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3","Acta Crystallographica","1967","22","","146","151","10.1107/S0365110X67000222","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009578","17.646","","17.898","","7.397","","90","","116.37","","90","","2093.09","","","","","","","","","","","","Agoura, California, USA","5","C 1 2/m 1","-C 2y","12","","","Clinoptilolite-Ca","- Al1.2 Ca1.58 H30 O46.9 Si16.8 -","- Al1.2 Ca1.58 H21.8 O46.9 Si16.8 -","- Al2.4 Ca3.16 H43.6 O93.8 Si33.6 -","2","0.25","","Alberti, A.","The crystal structure of two clinoptilolites","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","25","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009579","17.641","","18.031","","7.402","","90","","116.43","","90","","2108.37","","","","","","","","","","","","Alpe di Siusi, Italy","5","C 1 2/m 1","-C 2y","12","","","Clinoptilolite-Na","- Al1.6 H30 Na2.06 O47.56 Si16.4 -","- Al1.6 H23.12 Na2.06 O47.56 Si16.4 -","- Al3.2 H46.24 Na4.12 O95.12 Si32.8 -","2","0.25","","Alberti, A.","The crystal structure of two clinoptilolites","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","25","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009580","13.338","","13.338","","23.014","","90","","90","","120","","3545.72","","","","","","","","","","","","small cavity in andesite from Nurri, Nuoro, Sardinia","7","R -3 m :H","-R 3 2""","166","","","Levyne-Ca","- Al6.3 Ca2.759 H48 K0.215 Na0.677 O51.24 Si11.7 -","- Al6.3 Ca2.759 H30.48 K0.2145 Na0.6765 O51.24 Si11.7 -","- Al18.9 Ca8.277 H91.44 K0.6435 Na2.0295 O153.72 Si35.1 -","3","0.0833333","","Merlino, S.; Galli, E.; Alberti, A.","The crystal structure of levyne Note: a zeolite mineral","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","117","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:58",""
"9009581","14.069","","14.069","","14.069","","90","","90","","90","","2784.77","","","","","","","","","","","","Searles Lake, California, USA","5","F d -3 :2","-F 2uv 2vw 3","203","","","Northupite","- C2 Cl Mg Na3 O6 -","- C2 Cl Mg Na3 O6 -","- C32 Cl16 Mg16 Na48 O96 -","16","0.166667","","Dal Negro, A.; Giuseppetti, G.; Tadini, C.","Refinement of the crystal structure of northupite: Na3Mg(CO3)2Cl","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","158","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009582","8.592","","8.592","","5.573","","90","","90","","90","","411.413","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","Trippkeite","- As2 Cu O4 -","- As2 Cu O4 -","- As8 Cu4 O16 -","4","0.25","","Pertlik, F.","Verfeinerung der kristallstruktur von synthetischem trippkeit, CuAs2O4","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","211","217","10.1007/BF01087840","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009583","8.59","","8.59","","5.913","","90","","90","","90","","436.309","","","","","","","","","","","","Pernek, Slowakei, CSSR","3","P 42/m b c","-P 4c 2ab","135","","","Schafarzikite","- Fe O4 Sb2 -","- Fe O4 Sb2 -","- Fe4 O16 Sb8 -","4","0.25","","Fischer, R.; Pertlik, F.","Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","236","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009584","3.796","","3.796","","16.36","","90","","90","","120","","204.158","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","Covellite","- Cu S -","- Cu S -","- Cu6 S6 -","6","0.25","","Kalbskopf, R.; Pertlik, F.; Zemann, J.","Verfeinerung der kristallstruktur des covellins, CuS, mit einkristalldaten","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","242","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009585","15.874","","11.854","","6.605","","90","","95.43","","90","","1237.29","","","","","","","","","","","","Lavra da Ilha, Taquaral, Minas Gerais, Brazil","8","C 1 2/c 1","-C 2yc","15","","","Zanazziite","- Al0.67 Be2 Ca Fe0.6 H7 Mg1.4 O17 P3 -","- Al0.67 Be2 Ca Fe0.6 H7 Mg1.4 O17 P3 -","- Al2.68 Be8 Ca4 Fe2.4 H28 Mg5.6 O68 P12 -","4","0.5","","Fanfani, L.; Nunzi, A.; Zananni, P. F.; Zanzari, A. R.","The crystal structure of roscherite","Tschermaks Mineralogische und Petrographische Mitteilungen","1975","22","","266","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:26",""
"9009659","5.0718","","5.0718","","16.8336","","90","","90","","120","","375.001","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Nitratine","- N Na O3 -","- N Na O3 -","- N6 Na6 O18 -","6","0.166667","","Ahtee, M.; Nurmela, M.; Suortti, P.; Jarvinen, M.","Correction for preferred orientation in Rietveld refinement Sample: II, refined with correction for texture Note: Synthetic sample","Journal of Applied Crystallography","1989","22","","261","268","10.1107/S0021889889000725","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009895","3.745","","3.745","","5.779","","90","","90","","90","","81.051","","","","","","","","","","","","Synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ni1.5 Se0.5 Te0.5 -","- Ni1.5 Se0.5 Te0.5 -","- Ni3 Se Te -","2","0.125","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase A, sample 12","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009896","3.734","","3.734","","5.757","","90","","90","","90","","80.268","","","","","","","","","","","","Synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ni1.4 Se0.5 Te0.5 -","- Ni1.4 Se0.5 Te0.5 -","- Ni2.8 Se Te -","2","0.125","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase A, sample 34","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009897","3.661","","3.661","","5.356","","90","","90","","120","","62.169","","","","","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Sederholmite","- Ni0.99 Se1.01 -","- Ni0.99 Se1.01 -","- Ni1.98 Se2.02 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 83","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009898","3.722","","3.722","","5.35","","90","","90","","120","","64.186","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Sederholmite","- Ni0.984 Se0.816 Te0.2 -","- Ni0.984 Se0.816 Te0.2 -","- Ni1.968 Se1.632 Te0.4 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 84","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009899","3.784","","3.784","","5.35","","90","","90","","120","","66.342","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Sederholmite","- Ni0.976 Se0.624 Te0.4 -","- Ni0.976 Se0.624 Te0.4 -","- Ni1.952 Se1.248 Te0.8 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 86","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009900","3.822","","3.822","","5.35","","90","","90","","120","","67.681","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Sederholmite","- Ni0.98 Se0.51 Te0.51 -","- Ni0.98 Se0.51 Te0.51 -","- Ni1.96 Se1.02 Te1.02 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 85","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009901","3.854","","3.854","","5.35","","90","","90","","120","","68.819","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Imgreite","- Ni0.966 Se0.4 Te0.634 -","- Ni0.966 Se0.4 Te0.634 -","- Ni1.932 Se0.8 Te1.268 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 87","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009902","3.909","","3.909","","5.35","","90","","90","","120","","70.797","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Imgreite","- Ni0.96 Se0.2 Te0.84 -","- Ni0.96 Se0.2 Te0.84 -","- Ni1.92 Se0.4 Te1.68 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 89","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009903","3.969","","3.969","","5.358","","90","","90","","120","","73.096","","","","","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Imgreite","- Ni0.958 Te1.042 -","- Ni0.958 Te1.042 -","- Ni1.916 Te2.084 -","2","0.0833333","","Rost, E.; Vestersjo, E.","On the system Ni-Se-Te Note: Phase F, sample 90","Acta Chemica Scandinavica","1968","22","","2118","2134","10.3891/acta.chem.scand.22-2118","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009904","19.515","","5.915","","9.478","","90","","143.81","","90","","646.002","","","","","","","","","","","","Terlingua, Texas, USA","3","C 1 2/c 1","-C 2yc","15","","","Terlinguaite","- Cl Hg2 O -","- Cl Hg2 O -","- Cl8 Hg16 O8 -","8","1","","Aurivillius, K.; Folkmarson, L.","The crystal structure of terlinguaite Hg4O2Cl2","Acta Chemica Scandinavica","1968","22","","2529","2540","10.3891/acta.chem.scand.22-2529","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9011063","5.191","","10.82","","12.384","","90","","90","","90","","695.567","","","","","","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- O3 S -","- O3 S -","- O36 S12 -","12","3","","McDonald, W. S.; Cruickshank, D. W. J.","A refinement of the structure of S3O9","Acta Crystallographica","1967","22","","48","51","10.1107/S0365110X6700009X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011064","12.213","","12.213","","12.213","","90","","90","","90","","1821.66","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Sodium alum","- Al H24 Na O20 S2 -","- Al H24 Na O20 S2 -","- Al4 H96 Na4 O80 S8 -","4","0.166667","","Cromer, D. T.; Kay, M. I.; Larson, A. C.","Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic","Acta Crystallographica","1967","22","","182","187","10.1107/S0365110X67000313","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011066","15.81","","3.942","","7.895","","90","","102.72","","90","","479.964","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Hoelite","- C7 H4 O -","- C7 H4 O -","- C28 H16 O4 -","4","1","","Prakash, A.","Refinement of the crystal structure of anthraquinone","Acta Crystallographica","1967","22","","439","440","10.1107/S0365110X67000878","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011067","5.36","","11.76","","21.07999","","85.13","","90","","103.22","","1288.61","","","","","","","","","","","","El Paso County, Colorado, USA","10","A -1","-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)","2","","","Astrophyllite","- Fe6.3 K1.8 Mn0.7 Na1.2 Nb0.2 O31 Si8 Sn0.1 Ti1.6 Zr0.1 -","- Fe6.3 K1.8 Mn0.7 Na1.2 Nb0.2 O31 Si8 Sn0.1 Ti1.6 Zr0.1 -","- Fe12.6 K3.6 Mn1.4 Na2.4 Nb0.4 O62 Si16 Sn0.2 Ti3.2 Zr0.2 -","2","","","Woodrow, P. J.","The crystal structure of astrophyllite","Acta Crystallographica","1967","22","","673","678","10.1107/S0365110X67001331","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011068","8.9125","","8.9125","","8.9125","","90","","90","","90","","707.944","","","","298","","","","","","","","","1","I -4 3 m","I -4 2 3","217","Manganese","","Manganese-alpha","- Mn -","- Mn -","- Mn58 -","58","1.20833","","Gazzara, C. P.; Middleton, R. M.; Weiss, R. J.; Hall, E. O.","A refinement of the parameters of alpha manganese Localilty: synthetic Sample: at T = 298K","Acta Crystallographica","1967","22","","859","862","10.1107/S0365110X67001689","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011772","5.2","","9","","10.25","","90","","100.1","","90","","472.266","","","","","","","","","","","","Krivoi mine, Khibiny Massif, Kola Peninsula, Russia","8","C 1 2/m 1","-C 2y","12","","","Celadonite","- Al0.33 Ca0.04 Fe1.39 H2 K0.78 Mg0.61 O12 Si3.67 -","- Al0.33 Ca0.04 Fe1.39 H2 K0.78 Mg0.61 O12 Si3.67 -","- Al0.66 Ca0.08 Fe2.78 H4 K1.56 Mg1.22 O24 Si7.34 -","2","0.25","","Zhukhlistov, A. P.; Zvyagin, B. B.; Lazarenko, E. K.; Pavlishin, V. I.","Refinement of the crystal structure of ferrous seladonite","Kristallografiya","1977","22","","498","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011868","7.845","","6.525","","8.124","","111.62","","111.19","","73.44","","354.887","","","","","","","","","","","","","4","P -1","-P 1","2","","","Pentahydroborite","- B2 Ca H10 O9 -","- B2 Ca H10 O9 -","- B4 Ca2 H20 O18 -","2","1","","Kazanskaya, E. V.; Chemodina, T. N.; Egorov-Tismenko Y K; Simonov, M. A.; Belov, N. V.","Refined crystal structure of pentahydroborite Ca(B2O(OH)6)*(H2O)2","Soviet Physics Crystallography","1977","22","","35","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011869","5.542","","5.542","","10.908","","90","","90","","90","","335.026","","","","","","","","","","","","Khaidarkan, Kyrgyzstan","5","I -4 2 m","I -4 2","121","","","Velikite","- Cu1.6 Hg0.875 S4 Sn Zn0.28 -","- Cu1.6 Hg1.75 S8 Sn2 Zn0.28 -","- Cu1.6 Hg1.75 S8 Sn2 Zn0.28 -","1","0.0625","","Kaplunnik, L. N.; Pobedimskaya, E. A.; Belov, N. V.","Crystal structure of velikite Cu3.75Hg1.75Sn2S8","Soviet Physics Crystallography","1977","22","","99","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011870","7.975","","12.571","","7.237","","90","","90","","86.14","","723.89","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","Solongoite","- B3 Ca2 Cl H4 O8 -","- B3 Ca2 Cl H4 O8 -","- B12 Ca8 Cl4 H16 O32 -","4","1","","Yamnova, N. A.; Simonov, M. A.; Belov, N. V.","Refined crystal structure of solongoite Ca2[B3O4(OH)4]Cl","Soviet Physics Crystallography","1977","22","","356","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011871","5.21","","9.02","","7.74","","90","","100.667","","90","","357.45","","","","","","","","","","","","Schneeberg, Saxony, Germany","5","C 1 m 1","C -2y","8","","","Bismutoferrite","- Bi Fe2 H O9 Si2 -","- Bi Fe2 H O9 Si2 -","- Bi2 Fe4 H2 O18 Si4 -","2","0.5","","Zhukhlistov, A. P.; Zvyagin, B. B.","Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction","Soviet Physics Crystallography","1977","22","","419","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011872","5.19","","8.99","","7.7","","90","","100.67","","90","","353.056","","","","","","","","","","","","Smilokov, Czechoslovakia","5","C 1 m 1","C -2y","8","","","Chapmanite","- Fe2 H O9 Sb Si2 -","- Fe2 H O9 Sb Si2 -","- Fe4 H2 O18 Sb2 Si4 -","2","0.5","","Zhukhlistov, A. P.; Zvyagin, B. B.","Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction Note: z(O3) corrected","Soviet Physics Crystallography","1977","22","","419","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011895","5.49","","7.11","","14.5","","101","","96","","90","","552.434","","","","","","","","","","","","","5","P -1","-P 1","2","","","Lomonosovite","- Na5 O13 P Si2 Ti2 -","- Na5 O13 P Si2 Ti2 -","- Na10 O26 P2 Si4 Ti4 -","2","1","","Belov, N. V.; Gavrilova, G. S.; Solov'eva, L. P.; Khalilov, A. D.","The refined structure of lomonosovite","Soviet Physics Doklady","1977","22","","422","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011896","6.463","","6.564","","6.302","","61.63","","118.77","","105.78","","205.878","","","","","","","","","","","","not given","5","P 1","P 1","1","","","Hilgardite-1A","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","- B5 Ca2 Cl H2 O10 -","1","1","","Rumanova, I. M.; Iorysh, Z. I.; Belov, N. V.","Crystal structure of triclinic chilgardite Ca2[B5O9]Cl*H2O = Ca2[B3±B2deltaO9]Cl*H2O","Soviet Physics Doklady","1977","22","","460","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012000","6.065","","6.065","","17.42","","90","","90","","120","","554.933","","","","","","","","","","","","Synthetic","2","R -3 :H","-R 3","148","","","Molysite","- Cl3 Fe -","- Cl3 Fe -","- Cl18 Fe6 -","6","0.333333","","Hashimoto, S.; Forster, K.; Moss, S. C.","Structure refinement of an FeCl3 crystal using a thin plate sample","Journal of Applied Crystallography","1988","22","","173","180","10.1107/S0021889888013913","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012136","10.401","","10.401","","37.316","","90","","90","","120","","3496.04","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca10.115 Mg0.385 O28 P7 -","- Ca10.115 Mg0.385 O28 P7 -","- Ca60.69 Mg2.31 O168 P42 -","6","0.333333","","Schroeder, L. W.; Dickens, B.; Brown, W. E.","Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.11 Mg Note: changed sign of O3(y) to match bond distances","Journal of Solid State Chemistry","1977","22","","253","262","10.1016/0022-4596(77)90002-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012137","10.337","","10.337","","37.068","","90","","90","","120","","3430.2","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca9.5 Mg O28 P7 -","- Ca9.5 Mg O28 P7 -","- Ca57 Mg6 O168 P42 -","6","0.333333","","Schroeder, L. W.; Dickens, B.; Brown, W. E.","Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.29 Mg","Journal of Solid State Chemistry","1977","22","","253","262","10.1016/0022-4596(77)90002-0","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012382","7.606","","7.606","","13.863","","90","","90","","120","","694.545","","","","","","","","","","","","Synthetic","2","P 63 c m","P 6c -2","185","","","Stibiopalladinite","- Pd5 Sb2 -","- Pd5 Sb2 -","- Pd30 Sb12 -","6","0.5","","El-Boragy M; Bhan, S.; Schubert, K.","Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten","Journal of the Less-Common Metals","1970","22","","445","458","10.1016/0022-5088(70)90132-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012383","6.825","","6.825","","12.513","","90","","90","","120","","504.774","","","","","","","","","","","","Synthetic","2","P 63 c m","P 6c -2","185","","","Orcelite","- As2 Ni5 -","- As2 Ni5 -","- As12 Ni30 -","6","0.5","","El-Boragy M; Bhan, S.; Schubert, K.","Die kristallstruktur von Pd5Sb2 und Ni5As2 und einigen varianten","Journal of the Less-Common Metals","1970","22","","445","458","10.1016/0022-5088(70)90132-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012512","5.036","","5.036","","11.255","","90","","90","","120","","247.199","","","","","","","","","","","","Synthetic","3","P 31 2 1","P 31 2""","152","","","Rodolicoite","- Fe O4 P -","- Fe O4 P -","- Fe3 O12 P3 -","3","0.5","","Long, G. J.; Cheetham, A. K.; Battle, P. D.","Study of the iron-phosphorus-oxygen system by Mossbauer effect, neutron diffraction, magnetic susceptibility, and analytical electron microscopy: some pitfalls and solutions in the analysis of a complex mixture","Inorganic Chemistry","1983","22","","3012","3016","10.1021/ic00163a007","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012534","7.5957","","8.2305","","5.0775","","90","","94.05","","90","","316.634","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","Farringtonite","- Mg3 O8 P2 -","- Mg3 O8 P2 -","- Mg6 O16 P4 -","2","0.5","","Nord, A. G.; Kierkegaard, P.","The crystal structure of Mg3(PO4)2","Acta Chemica Scandinavica","1968","22","","1466","1474","10.3891/acta.chem.scand.22-1466","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012613","4.588","","4.588","","4.588","","90","","90","","90","","96.576","","","","","","","","","","","","Synthetic","1","P m -3","-P 2 2 3","200","","","Chromium","- Cr -","- Cr -","- Cr8 -","8","0.333333","","Kimoto, K.; Nishida, I.","An electron diffraction study on the crystal structure of a new modification of chromium","Journal of the Physical Society of Japan","1967","22","","744","756","10.1143/JPSJ.22.744","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9013391","6.6","","6.6","","8.81","","90","","90","","90","","383.764","","","","","","","","","","","","Synthetic","2","P -4 21 c","P -4 2n","114","Adamantane","","Adamantane","- C5 H8 -","- C5 H8 -","- C20 H32 -","4","0.5","","Donohue, J.; Goodman, S. H.","The crystal structure of adamantane: An example of a false minimum in least squares Note: low temperature phase","Acta Crystallographica","1967","22","3","352","354","10.1107/S0365110X67000696","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014006","3.738","","3.738","","3.738","","90","","90","","90","","52.23","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","Nisnite","- Ni3 Sn -","- Ni3 Sn -","- Ni3 Sn -","1","0.0208333","","Cannon, F. C.","Effect of high pressure on the structure of AB3-type layered compounds","Materials Research Society Symposia Proceedings","1984","22","","113","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014138","6.4934","","6.9919","","32.087","","90","","94.68","","90","","1451.93","","","","","","","","","","","","Mount Rasvumchorr, Khibiny alkaline intrusion, Kola Peninsula, Russia","5","P 1 21/n 1","-P 2yn","14","","","Cryptophyllite","- Ca H10 K2 O15 Si4 -","- Ca H10 K2 O15 Si4 -","- Ca4 H40 K8 O60 Si16 -","4","1","","Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R.","Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family","European Journal of Mineralogy","2010","22","","547","555","10.1127/0935-1221/2010/0022-2041","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014255","12.157","","12.157","","12.157","","90","","90","","90","","1796.71","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Alum-(K)","- Al H24 K1.3 O20 S2 -","- Al H24 K1.3 O20 S2 -","- Al4 H96 K5.2 O80 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014357","7.2591","","7.2591","","6.4255","","90","","90","","90","","338.589","","","","","","","","","","","","Montaldo di Mondovi, Italy","8","I 41/a m d :2","-I 4bd 2","141","","","Wakefieldite-(Y)","- As0.08 Ca0.15 Ce0.15 Nd0.15 O4 Th0.15 V0.92 Y0.4 -","- As0.08 Ca0.15 Ce0.15 Nd0.15 O4 Th0.15 V0.92 Y0.4 -","- As0.32 Ca0.6 Ce0.6 Nd0.6 O16 Th0.6 V3.68 Y1.6 -","4","0.125","","Cadoni, M.; Ciriotti, M. E.; Ferraris, G.","Wakefieldite-(Y) from Montaldo di Mondovi (Italy): new data and crystal structure","Rendiconti Lincei Scienze Fisiche e Naturali","2011","22","","307","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014369","10.6772","","10.6772","","11.885","","90","","90","","90","","1354.92","","","","","","","","","","","","Synthetic","4","P 42/m b c","-P 4c 2ab","135","","","Sitinakite","- Na11 O14 Si4 Ti4 -","- Na11 O14 Si4 Ti4 -","- Na44 O56 Si16 Ti16 -","4","0.25","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014399","8.284","","8.284","","5.313","","90","","90","","90","","364.603","","","","","","","","","","","","Synthetic","4","P -4 21 m","P -4 2ab","113","","","","- Ba2 Cu O7 Si2 -","- Ba2 Cu O7 Si2 -","- Ba4 Cu2 O14 Si4 -","2","0.25","","Du, J. M.; Zeng, H. Y.; Song, L. J.; Dong, Z. C.; Ma, H. W.; Guo, G. C.; Huang, J. S.","Synthesis and structure of a new polymorph Ba2CuSi2O7 Note: known as beta-Ba2CuSi2O7","Jiegou Huaxue","2003","22","","33","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014506","7.41932","","7.41932","","16.0402","","90","","90","","90","","882.954","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.821 Cu O10 Si4 Sr0.179 -","- Ba0.821 Cu O10 Si4 Sr0.179 -","- Ba3.284 Cu4 O40 Si16 Sr0.716 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .821","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014633","11.91","","12.383","","6.372","","90","","114.43","","90","","855.614","","","","","","","","","","","","the Sebastiao Cristino pegmatite, Minas Gerais, Brazil","7","P 1 21/n 1","-P 2yn","14","","","Qingheiite-(Fe2+)","- Al1.85 Fe2.958 Mg0.928 Mn Na2.362 O24 P6 -","- Al1.85 Fe2.958 Mg0.928 Mn Na2.362 O24 P6 -","- Al3.7 Fe5.916 Mg1.856 Mn2 Na4.724 O48 P12 -","2","0.5","","Hatert, F.; Baijot, M.; Philippo, S.; Wouters, J.","Qingheiite-(Fe2+), Na2Fe2+MgAl(PO4)3, a new phosphate mineral from the Sebastiao Cristino pegmatite, Minas Gerais, Brazil","European Journal of Mineralogy","2010","22","","459","467","10.1127/0935-1221/2010/0022-2030","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014635","5.377","","12.1172","","6.79","","90","","106.5","","90","","424.179","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba O10 Si3 Yb2 -","- Ba O10 Si3 Yb2 -","- Ba2 O20 Si6 Yb4 -","2","0.5","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014690","7.37735","","7.37735","","15.7266","","90","","90","","90","","855.925","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.276 Cu O10 Si4 Sr0.724 -","- Ba0.276 Cu O10 Si4 Sr0.724 -","- Ba1.104 Cu4 O40 Si16 Sr2.896 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .276","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014777","9.845","","9.845","","7.383","","90","","90","","120","","619.719","","","","","","","","","","","","Belovitovoye pegmatite, Kirovskii apatite mine at Mt. Kukisvumchorr,","5","P 63/m","-P 6c","176","","","Stronadelphite","- Ca0.2 F O12 P3 Sr4.8 -","- Ca0.2 F O12 P3 Sr4.8 -","- Ca0.4 F2 O24 P6 Sr9.6 -","2","0.166667","","Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.","Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia","European Journal of Mineralogy","2010","22","","869","874","10.1127/0935-1221/2010/0022-2063","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014781","12.243","","12.243","","12.243","","90","","90","","90","","1835.12","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Alum-(Na)","- Al H24 O20 Rb S2 -","- Al H24 O20 Rb S2 -","- Al4 H96 O80 Rb4 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014924","7.36858","","7.36858","","15.6346","","90","","90","","90","","848.896","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.105 Cu O10 Si4 Sr0.895 -","- Ba0.105 Cu O10 Si4 Sr0.895 -","- Ba0.42 Cu4 O40 Si16 Sr3.58 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .105","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014975","7.403","","7.403","","15.9357","","90","","90","","90","","873.347","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba0.636 Cu O10 Si4 Sr0.364 -","- Ba0.636 Cu O10 Si4 Sr0.364 -","- Ba2.544 Cu4 O40 Si16 Sr1.456 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .636","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014993","22.6791","","22.6791","","7.22336","","90","","90","","120","","3217.52","","","","","","","","","","","","Synthetic","5","R 3 c :H","R 3 -2""c","161","","","Chlorartinite","- C H5 Cl Mg2 O6 -","- C H5 Cl Mg2 O6 -","- C18 H90 Cl18 Mg36 O108 -","18","1","","Sugimoto, K.; Dinnebier, R. E.; Schlecht, T.","Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite","Powder Diffraction","2007","22","","64","67","10.1154/1.2436546","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015079","7.3752","","7.3752","","15.6902","","90","","90","","90","","853.446","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.193 Cu O10 Si4 Sr0.807 -","- Ba0.193 Cu O10 Si4 Sr0.807 -","- Ba0.772 Cu4 O40 Si16 Sr3.228 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .193","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015144","7.0316","","7.0316","","16.5151","","90","","90","","120","","707.164","","","","","","","","","","","","Grubependity Lake cirque, Prepolar Ural, Komi Republic, Russia","5","R -3 m :H","-R 3 2""","166","","","Arsenoflorencite-(La)","- Al3 As2 H6 La O14 -","- Al3 As2 H6 La O14 -","- Al9 As6 H18 La3 O42 -","3","0.0833333","","Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Raudsepp, M.","Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: description and crystal structure","European Journal of Mineralogy","2010","22","","613","621","10.1127/0935-1221/2010/0022-2043","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015184","7.38801","","7.38801","","15.8265","","90","","90","","90","","863.853","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.402 Cu O10 Si4 Sr0.598 -","- Ba0.402 Cu O10 Si4 Sr0.598 -","- Ba1.608 Cu4 O40 Si16 Sr2.392 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .402","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015338","7.43602","","7.43602","","16.1302","","90","","90","","90","","891.91","","","","","","","","","","","","Synthetic","4","P 4/n c c :2","-P 4a 2ac","130","","","Effenbergerite","- Ba Cu O10 Si4 -","- Ba Cu O10 Si4 -","- Ba4 Cu4 O40 Si16 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015346","7.3715","","7.3715","","5.302","","90","","90","","120","","249.507","","","","","","","","","","","","Synthetic","2","P -3","-P 3","147","","","","- Ni Ti0.885 -","- Ni Ti0.885 -","- Ni9 Ti7.965 -","9","1.5","","Sitepu, H.","Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy","Powder Diffraction","2007","22","","209","218","10.1154/1.2754715","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015384","17.0046","","9.73133","","9.31989","","90","","90","","90","","1542.23","","","","","","","","","","","","Murzinka pegmatite field, MIddle Ural Mountains, Russia","10","C c c m","-C 2 2c","66","","","Cordierite","- Al3.8 Be0.16 Fe0.3 H1.292 Li0.06 Mg1.66 Mn0.02 Na0.235 O18.646 Si5 -","- Al3.8 Be0.16 Fe0.3 H1.292 Li0.06 Mg1.66 Mn0.02 Na0.235 O18.646 Si5 -","- Al15.2 Be0.64 Fe1.2 H5.168 Li0.24 Mg6.64 Mn0.08 Na0.94 O74.584 Si20 -","4","0.25","","Sokol, E. V.; Seryotkin, Y. V.; Bul'bak, T. A.","Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia","European Journal of Mineralogy","2010","22","","565","575","10.1127/0935-1221/2010/0022-2013","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9015468","12.695","","12.695","","5.325","","90","","90","","120","","743.217","","","","","","","","","","","","Monte Somma, Italy","9","P 63","P 6c","173","","","Balliranoite","- C0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3 -","- C0.45 Al3 Ca1.246 Cl K0.366 Na2.388 O13.95 S0.15 Si3 -","- C0.9 Al6 Ca2.492 Cl2 K0.732 Na4.776 O27.9 S0.3 Si6 -","2","0.333333","","Chukanov, N. V.; Zubkova, N. V.; Pekov, I. V.; Olysych, L. V.; Bonaccorsi, E.; Pushcharovsky, D. Y.","Balliranoite, (Na,K)6Ca2(Si6Al6O24)Cl2(CO3), a new cancrinite-group mineral from Monte Somma - Vesuvio volcanic complex, Italy","European Journal of Mineralogy","2010","22","","113","119","10.1127/0935-1221/2010/0022-1983","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015581","3.0191","","3.0191","","3.0191","","90","","90","","90","","27.519","","","","","","","","","","","","Synthetic","2","P m -3 m","-P 4 2 3","221","","","","- Ni0.106 Ti0.942 -","- Ni0.10581 Ti0.9419 -","- Ni0.10581 Ti0.9419 -","1","0.0208333","","Sitepu, H.","Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy","Powder Diffraction","2007","22","","209","218","10.1154/1.2754715","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015733","2.92617","","4.17272","","4.69631","","90","","90","","97.4036","","56.864","","","","","","","","","","","","Synthetic","2","P 1 1 21/m","-P 2c","11","","","","- Ni Ti0.921 -","- Ni1.079 Ti0.921 -","- Ni2.158 Ti1.842 -","2","0.5","","Sitepu, H.","Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy","Powder Diffraction","2007","22","","209","218","10.1154/1.2754715","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015737","7.38813","","7.38813","","15.8516","","90","","90","","90","","865.251","","","","","","","","","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Ba0.492 Cu O10 Si4 Sr0.508 -","- Ba0.492 Cu O10 Si4 Sr0.508 -","- Ba1.968 Cu4 O40 Si16 Sr2.032 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015747","9.044","","9.044","","16.766","","90","","90","","90","","1371.36","","","","","","","","","","","","Synthetic","5","P 41 21 2","P 4abw 2nw","92","","","","- Fe2 H2 O17 P4 Pb3 -","- Fe2 H2 O17 P4 Pb3 -","- Fe8 H8 O68 P16 Pb12 -","4","0.5","","Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E.","Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C","European Journal of Mineralogy","2010","22","","595","604","10.1127/0935-1221/2010/0022-2048","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015853","7.36657","","7.36657","","15.5844","","90","","90","","90","","845.709","","","","","","","","","","","","Synthetic","4","P 4/n c c :2","-P 4a 2ac","130","","","Wesselsite","- Cu O10 Si4 Sr -","- Cu O10 Si4 Sr -","- Cu4 O40 Si16 Sr4 -","4","0.25","","Knight, K. S.; Henderson, C. M. B.; Clark, S. M.","Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 0.000","European Journal of Mineralogy","2010","22","","411","423","10.1127/0935-1221/2010/0022-2025","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015918","5.273","","11.9181","","6.591","","90","","107.06","","90","","395.98","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba O10 Sc2 Si3 -","- Ba O10 Sc2 Si3 -","- Ba2 O20 Sc4 Si6 -","2","0.5","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016010","5.3867","","14.001","","5.601","","90","","98.535","","90","","417.745","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Lindgrenite","- Cu3 H2 Mo2 O10 -","- Cu3 H2 Mo2 O10 -","- Cu6 H4 Mo4 O20 -","2","0.5","","Bao, R. L.; Kong, Z. P.; Cu, M.; Yue, B.; Weng, L. H.; He, H. Y.","Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Note: atomic coordinates transformed to standard setting","Chemical Research in Chinese Universities","2006","22","","679","683","10.1016/S1005-9040(06)60189-X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016047","5.389","","12.163","","6.84","","90","","106.47","","90","","429.941","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba Er2 O10 Si3 -","- Ba Er2 O10 Si3 -","- Ba2 Er4 O20 Si6 -","2","0.5","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016099","7.8099","","7.8099","","11.956","","90","","90","","90","","729.251","","","","","","","","","","","","Synthetic","5","P 42/m c m","-P 4c 2c","132","","","Sitinakite","- D4 Na3 O10 Si Ti2 -","- D4 Na3 O10 Si Ti2 -","- D16 Na12 O40 Si4 Ti8 -","4","0.25","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016155","7.88","","7.88","","11.953","","90","","90","","90","","742.214","","","","","","","","","","","","Synthetic","5","P 42/m c m","-P 4c 2c","132","","","Sitinakite","- D4 Na O9 Si Ti2 -","- D4 Na O9 Si Ti2 -","- D16 Na4 O36 Si4 Ti8 -","4","0.25","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016202","5.435","","12.241","","6.932","","90","","106.26","","90","","442.738","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba Gd2 O10 Si3 -","- Ba Gd2 O10 Si3 -","- Ba2 Gd4 O20 Si6 -","2","0.5","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016220","6.4897","","6.9969","","26.714","","90","","94.597","","90","","1209.12","","","","","","","","","","","","Mount Rasvumchorr, Khibiny alkaline intrusion, Kola Peninsula, Russia","5","P 1 21/c 1","-P 2ybc","14","","","Shlykovite","- Ca H7 K O13 Si4 -","- Ca H7 K O13 Si4 -","- Ca4 H28 K4 O52 Si16 -","4","1","","Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R.","Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family","European Journal of Mineralogy","2010","22","","547","555","10.1127/0935-1221/2010/0022-2041","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016237","2.6939","","2.6939","","4.2732","","90","","90","","120","","26.856","","","","","","","","","","","","Loma Peguera, Dominican Republic","9","P 63/m m c","-P 6c 2c","194","","","Garutiite","- Co0.008 Cu0.006 Fe0.316 Ir0.202 Ni0.421 Os0.003 Pt0.032 Rh0.006 Ru0.004 -","- Co0.008 Cu0.006 Fe0.316 Ir0.202 Ni0.421 Os0.003 Pt0.032 Rh0.006 Ru0.004 -","- Co0.016 Cu0.012 Fe0.632 Ir0.404 Ni0.842 Os0.006 Pt0.064 Rh0.012 Ru0.008 -","2","0.0833333","","McDonald, A. M.; Proenza, J. A.; Zaccarini, F.; Rudashevsky, N. S.; Cabri, L. J.; Stanley, C. J.; Rudashevsky, V. N.; Melgarejo, J. C.; Lewis, J. F.; Longo, F.; Bakker, R. J.","Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from Loma Peguera, Dominican Republic","European Journal of Mineralogy","2010","22","","293","304","10.1127/0935-1221/2010/0022-2007","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016292","4.784","","5.693","","5.12","","90","","91.15","","90","","139.417","","","","","","","","","","","","the Heftetjern pegmatite, Tordal, Norway","8","P 1 2/c 1","-P 2yc","13","","","Heftetjernite","- Fe0.07 Mn0.18 Nb0.42 O4 Sc0.5 Sn0.2 Ta0.58 Ti0.05 -","- Fe0.07 Mn0.18 Nb0.42 O4 Sc0.5 Sn0.2 Ta0.58 Ti0.05 -","- Fe0.14 Mn0.36 Nb0.84 O8 Sc Sn0.4 Ta1.16 Ti0.1 -","2","0.5","","Kolitsch, U.; Kristiansen, R.; Raade, G.; Tillmanns, E.","Heftetjernite, a new scandium mineral from the Heftetjern pegmatite, Tordal, Norway","European Journal of Mineralogy","2010","22","","309","316","10.1127/0935-1221/2010/0022-1987","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016346","12.24","","12.24","","12.24","","90","","90","","90","","1833.77","","","","","","","","","","","","Synthetic","5","P a -3","-P 2ac 2ab 3","205","","","Tschermigite","- Al H24 N O20 S2 -","- Al H24 N O20 S2 -","- Al4 H96 N4 O80 S8 -","4","0.166667","","Larson, A. C.; Cromer, D. T.","Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O","Acta Crystallographica","1967","22","","793","800","10.1107/S0365110X67001586","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016397","14.386","","14.386","","4.873","","90","","90","","120","","873.388","","","","","","","","","","","","Langesundsfjord district, Norway","7","P -3 m 1","-P 3 2""","164","","","Eirikite","- Al3 Be2 F2 K0.983 Na6.017 O39 Si15 -","- Al3.00006 Be2 F2 K0.983 Na6.017 O39 Si14.9999 -","- Al3.00006 Be2 F2 K0.983 Na6.017 O39 Si14.9999 -","1","0.0833333","","Larsen, A. O.; Kolitsch, U.; Gault, R. A.; Giester, G.","Eirikite, a new mineral species of the leifite group from the Langesundsfjord district, Norway","European Journal of Mineralogy","2010","22","","875","880","10.1127/0935-1221/2010/0022-2068","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9016521","13.1117","","9.8654","","6.0307","","90","","103.255","","90","","759.302","","","","","","","","","","","","Douglas Hill mine, Yerington, Nevada, USA","4","P 1 21/a 1","-P 2yab","14","","","Brochantite","- Cu4 H6 O10 S -","- Cu4 O10 S -","- Cu16 O40 S4 -","4","1","","Mills, S. J.; Kampf, A. R.; Pasero, M.; Merlino, S.","Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype of brochantite Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite","European Journal of Mineralogy","2010","22","","453","457","10.1127/0935-1221/2010/0022-2029","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016530","6.757","","6.885","","9.273","","72.42","","86.37","","88.37","","410.405","","","","","","","","","","","","Synthetic","4","P -1","-P 1","2","","","","- O10 Si3 Sr Y2 -","- O10 Si3 Sr Y2 -","- O20 Si6 Sr2 Y4 -","2","1","","Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.","Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit","European Journal of Mineralogy","2010","22","","245","258","10.1127/0935-1221/2010/0022-1969","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""